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/Denv2_dominio3_RNAco-12a3d678/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/Denv2_dominio3_RNAco-12a3d678/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/Denv2_dominio3_RNAco-12a3d678/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/Denv2_dominio3_RNAco-12a3d678/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/Denv2_dominio3_RNAco-12a3d678/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/Denv2_dominio3_RNAco-12a3d678/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/Denv2_dominio3_RNAco-12a3d678/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/Denv2_dominio3_RNAco-12a3d678/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/Denv2_dominio3_RNAco-12a3d678/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/Denv2_dominio3_RNAco-12a3d678/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: -996.233692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.233692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.233692 (E_RNA)
where:
Base-Base interactions energy: -677.322
where: short stacking energy: -299.947
Base-Backbone interact. energy: -1.363
local terms energy: -317.548433
where:
bonds (distance) C4'-P energy: -51.576
bonds (distance) P-C4' energy: -69.527
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -47.665
tors. eta vs tors. theta energy: -91.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -996.233692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.233692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.233692 (E_RNA)
where:
Base-Base interactions energy: -677.322
where: short stacking energy: -299.947
Base-Backbone interact. energy: -1.363
local terms energy: -317.548433
where:
bonds (distance) C4'-P energy: -51.576
bonds (distance) P-C4' energy: -69.527
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -47.665
tors. eta vs tors. theta energy: -91.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -996.233692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.233692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.233692 (E_RNA)
where:
Base-Base interactions energy: -677.322
where: short stacking energy: -299.947
Base-Backbone interact. energy: -1.363
local terms energy: -317.548433
where:
bonds (distance) C4'-P energy: -51.576
bonds (distance) P-C4' energy: -69.527
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -47.665
tors. eta vs tors. theta energy: -91.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -996.233692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.233692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.233692 (E_RNA)
where:
Base-Base interactions energy: -677.322
where: short stacking energy: -299.947
Base-Backbone interact. energy: -1.363
local terms energy: -317.548433
where:
bonds (distance) C4'-P energy: -51.576
bonds (distance) P-C4' energy: -69.527
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -47.665
tors. eta vs tors. theta energy: -91.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -996.233692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.233692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.233692 (E_RNA)
where:
Base-Base interactions energy: -677.322
where: short stacking energy: -299.947
Base-Backbone interact. energy: -1.363
local terms energy: -317.548433
where:
bonds (distance) C4'-P energy: -51.576
bonds (distance) P-C4' energy: -69.527
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -47.665
tors. eta vs tors. theta energy: -91.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -996.233692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.233692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.233692 (E_RNA)
where:
Base-Base interactions energy: -677.322
where: short stacking energy: -299.947
Base-Backbone interact. energy: -1.363
local terms energy: -317.548433
where:
bonds (distance) C4'-P energy: -51.576
bonds (distance) P-C4' energy: -69.527
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -47.665
tors. eta vs tors. theta energy: -91.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -996.233692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.233692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.233692 (E_RNA)
where:
Base-Base interactions energy: -677.322
where: short stacking energy: -299.947
Base-Backbone interact. energy: -1.363
local terms energy: -317.548433
where:
bonds (distance) C4'-P energy: -51.576
bonds (distance) P-C4' energy: -69.527
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -47.665
tors. eta vs tors. theta energy: -91.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -996.233692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.233692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.233692 (E_RNA)
where:
Base-Base interactions energy: -677.322
where: short stacking energy: -299.947
Base-Backbone interact. energy: -1.363
local terms energy: -317.548433
where:
bonds (distance) C4'-P energy: -51.576
bonds (distance) P-C4' energy: -69.527
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -47.665
tors. eta vs tors. theta energy: -91.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -996.233692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.233692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.233692 (E_RNA)
where:
Base-Base interactions energy: -677.322
where: short stacking energy: -299.947
Base-Backbone interact. energy: -1.363
local terms energy: -317.548433
where:
bonds (distance) C4'-P energy: -51.576
bonds (distance) P-C4' energy: -69.527
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -47.665
tors. eta vs tors. theta energy: -91.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -996.233692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.233692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.233692 (E_RNA)
where:
Base-Base interactions energy: -677.322
where: short stacking energy: -299.947
Base-Backbone interact. energy: -1.363
local terms energy: -317.548433
where:
bonds (distance) C4'-P energy: -51.576
bonds (distance) P-C4' energy: -69.527
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -47.665
tors. eta vs tors. theta energy: -91.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -994.616237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.616237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.616237 (E_RNA)
where:
Base-Base interactions energy: -675.331
where: short stacking energy: -299.298
Base-Backbone interact. energy: -1.575
local terms energy: -317.709961
where:
bonds (distance) C4'-P energy: -51.567
bonds (distance) P-C4' energy: -69.757
flat angles C4'-P-C4' energy: -57.205
flat angles P-C4'-P energy: -47.599
tors. eta vs tors. theta energy: -91.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -994.710325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.710325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.710325 (E_RNA)
where:
Base-Base interactions energy: -675.425
where: short stacking energy: -299.295
Base-Backbone interact. energy: -1.575
local terms energy: -317.709961
where:
bonds (distance) C4'-P energy: -51.567
bonds (distance) P-C4' energy: -69.757
flat angles C4'-P-C4' energy: -57.205
flat angles P-C4'-P energy: -47.599
tors. eta vs tors. theta energy: -91.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -994.704750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.704750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.704750 (E_RNA)
where:
Base-Base interactions energy: -675.420
where: short stacking energy: -299.293
Base-Backbone interact. energy: -1.575
local terms energy: -317.709961
where:
bonds (distance) C4'-P energy: -51.567
bonds (distance) P-C4' energy: -69.757
flat angles C4'-P-C4' energy: -57.205
flat angles P-C4'-P energy: -47.599
tors. eta vs tors. theta energy: -91.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -995.597719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.597719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.597719 (E_RNA)
where:
Base-Base interactions energy: -676.276
where: short stacking energy: -300.152
Base-Backbone interact. energy: -1.574
local terms energy: -317.747203
where:
bonds (distance) C4'-P energy: -51.567
bonds (distance) P-C4' energy: -69.757
flat angles C4'-P-C4' energy: -57.205
flat angles P-C4'-P energy: -47.636
tors. eta vs tors. theta energy: -91.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -995.361247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.361247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.361247 (E_RNA)
where:
Base-Base interactions energy: -676.271
where: short stacking energy: -300.149
Base-Backbone interact. energy: -1.343
local terms energy: -317.747203
where:
bonds (distance) C4'-P energy: -51.567
bonds (distance) P-C4' energy: -69.757
flat angles C4'-P-C4' energy: -57.205
flat angles P-C4'-P energy: -47.636
tors. eta vs tors. theta energy: -91.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -994.978074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.978074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.978074 (E_RNA)
where:
Base-Base interactions energy: -676.265
where: short stacking energy: -300.146
Base-Backbone interact. energy: -1.343
local terms energy: -317.369620
where:
bonds (distance) C4'-P energy: -51.212
bonds (distance) P-C4' energy: -69.757
flat angles C4'-P-C4' energy: -57.205
flat angles P-C4'-P energy: -47.636
tors. eta vs tors. theta energy: -91.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -994.560113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.560113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.560113 (E_RNA)
where:
Base-Base interactions energy: -675.848
where: short stacking energy: -300.144
Base-Backbone interact. energy: -1.343
local terms energy: -317.369620
where:
bonds (distance) C4'-P energy: -51.212
bonds (distance) P-C4' energy: -69.757
flat angles C4'-P-C4' energy: -57.205
flat angles P-C4'-P energy: -47.636
tors. eta vs tors. theta energy: -91.560
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: 2
Temperature: 1.250000
Total energy: -994.535087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.535087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.535087 (E_RNA)
where:
Base-Base interactions energy: -675.842
where: short stacking energy: -300.141
Base-Backbone interact. energy: -1.343
local terms energy: -317.350582
where:
bonds (distance) C4'-P energy: -51.212
bonds (distance) P-C4' energy: -69.757
flat angles C4'-P-C4' energy: -57.185
flat angles P-C4'-P energy: -47.636
tors. eta vs tors. theta energy: -91.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -995.310401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.310401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.310401 (E_RNA)
where:
Base-Base interactions energy: -676.599
where: short stacking energy: -300.900
Base-Backbone interact. energy: -1.342
local terms energy: -317.369620
where:
bonds (distance) C4'-P energy: -51.212
bonds (distance) P-C4' energy: -69.757
flat angles C4'-P-C4' energy: -57.205
flat angles P-C4'-P energy: -47.636
tors. eta vs tors. theta energy: -91.560
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: 2
Temperature: 1.350000
Total energy: -995.304226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.304226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.304226 (E_RNA)
where:
Base-Base interactions energy: -676.593
where: short stacking energy: -300.898
Base-Backbone interact. energy: -1.342
local terms energy: -317.369620
where:
bonds (distance) C4'-P energy: -51.212
bonds (distance) P-C4' energy: -69.757
flat angles C4'-P-C4' energy: -57.205
flat angles P-C4'-P energy: -47.636
tors. eta vs tors. theta energy: -91.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -976.088454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.088454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.088454 (E_RNA)
where:
Base-Base interactions energy: -670.694
where: short stacking energy: -304.985
Base-Backbone interact. energy: -0.805
local terms energy: -304.589743
where:
bonds (distance) C4'-P energy: -56.298
bonds (distance) P-C4' energy: -57.121
flat angles C4'-P-C4' energy: -56.828
flat angles P-C4'-P energy: -47.693
tors. eta vs tors. theta energy: -86.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -938.298631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.298631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.298631 (E_RNA)
where:
Base-Base interactions energy: -652.161
where: short stacking energy: -286.369
Base-Backbone interact. energy: -1.260
local terms energy: -284.877001
where:
bonds (distance) C4'-P energy: -50.925
bonds (distance) P-C4' energy: -53.924
flat angles C4'-P-C4' energy: -60.319
flat angles P-C4'-P energy: -35.296
tors. eta vs tors. theta energy: -84.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -901.399279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.399279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.399279 (E_RNA)
where:
Base-Base interactions energy: -623.136
where: short stacking energy: -261.418
Base-Backbone interact. energy: -0.817
local terms energy: -277.445968
where:
bonds (distance) C4'-P energy: -46.528
bonds (distance) P-C4' energy: -53.435
flat angles C4'-P-C4' energy: -56.437
flat angles P-C4'-P energy: -37.398
tors. eta vs tors. theta energy: -83.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -898.215580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.215580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.215580 (E_RNA)
where:
Base-Base interactions energy: -621.125
where: short stacking energy: -277.398
Base-Backbone interact. energy: -0.988
local terms energy: -276.102473
where:
bonds (distance) C4'-P energy: -41.890
bonds (distance) P-C4' energy: -53.925
flat angles C4'-P-C4' energy: -60.191
flat angles P-C4'-P energy: -36.538
tors. eta vs tors. theta energy: -83.558
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: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -870.141996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.141996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.141996 (E_RNA)
where:
Base-Base interactions energy: -613.412
where: short stacking energy: -257.227
Base-Backbone interact. energy: -1.774
local terms energy: -254.955622
where:
bonds (distance) C4'-P energy: -36.434
bonds (distance) P-C4' energy: -48.544
flat angles C4'-P-C4' energy: -60.757
flat angles P-C4'-P energy: -32.005
tors. eta vs tors. theta energy: -77.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -823.186519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.186519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.186519 (E_RNA)
where:
Base-Base interactions energy: -575.478
where: short stacking energy: -239.027
Base-Backbone interact. energy: 2.529
local terms energy: -250.238330
where:
bonds (distance) C4'-P energy: -43.726
bonds (distance) P-C4' energy: -45.988
flat angles C4'-P-C4' energy: -58.022
flat angles P-C4'-P energy: -28.641
tors. eta vs tors. theta energy: -73.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -802.523768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.523768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.523768 (E_RNA)
where:
Base-Base interactions energy: -556.354
where: short stacking energy: -223.976
Base-Backbone interact. energy: -1.027
local terms energy: -245.142737
where:
bonds (distance) C4'-P energy: -45.577
bonds (distance) P-C4' energy: -36.314
flat angles C4'-P-C4' energy: -51.752
flat angles P-C4'-P energy: -37.359
tors. eta vs tors. theta energy: -74.142
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: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -787.722340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.722340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.722340 (E_RNA)
where:
Base-Base interactions energy: -539.401
where: short stacking energy: -226.793
Base-Backbone interact. energy: -1.351
local terms energy: -246.970389
where:
bonds (distance) C4'-P energy: -40.390
bonds (distance) P-C4' energy: -44.848
flat angles C4'-P-C4' energy: -49.492
flat angles P-C4'-P energy: -37.571
tors. eta vs tors. theta energy: -74.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -757.270780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.270780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.270780 (E_RNA)
where:
Base-Base interactions energy: -540.781
where: short stacking energy: -230.122
Base-Backbone interact. energy: 1.562
local terms energy: -218.052237
where:
bonds (distance) C4'-P energy: -32.792
bonds (distance) P-C4' energy: -36.302
flat angles C4'-P-C4' energy: -49.495
flat angles P-C4'-P energy: -34.979
tors. eta vs tors. theta energy: -64.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -742.475434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.475434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.475434 (E_RNA)
where:
Base-Base interactions energy: -527.389
where: short stacking energy: -209.432
Base-Backbone interact. energy: -0.926
local terms energy: -214.160053
where:
bonds (distance) C4'-P energy: -43.898
bonds (distance) P-C4' energy: -44.919
flat angles C4'-P-C4' energy: -48.813
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -56.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -947.865558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.865558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.865558 (E_RNA)
where:
Base-Base interactions energy: -641.480
where: short stacking energy: -273.563
Base-Backbone interact. energy: -0.218
local terms energy: -306.167273
where:
bonds (distance) C4'-P energy: -53.346
bonds (distance) P-C4' energy: -59.612
flat angles C4'-P-C4' energy: -64.478
flat angles P-C4'-P energy: -43.710
tors. eta vs tors. theta energy: -85.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -946.589135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.589135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.589135 (E_RNA)
where:
Base-Base interactions energy: -668.083
where: short stacking energy: -289.211
Base-Backbone interact. energy: -0.815
local terms energy: -277.691272
where:
bonds (distance) C4'-P energy: -42.863
bonds (distance) P-C4' energy: -50.488
flat angles C4'-P-C4' energy: -56.009
flat angles P-C4'-P energy: -44.543
tors. eta vs tors. theta energy: -83.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -896.529385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.529385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.529385 (E_RNA)
where:
Base-Base interactions energy: -621.952
where: short stacking energy: -277.143
Base-Backbone interact. energy: -0.234
local terms energy: -274.344162
where:
bonds (distance) C4'-P energy: -40.953
bonds (distance) P-C4' energy: -53.588
flat angles C4'-P-C4' energy: -52.826
flat angles P-C4'-P energy: -40.728
tors. eta vs tors. theta energy: -86.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -873.623136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.623136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.623136 (E_RNA)
where:
Base-Base interactions energy: -613.168
where: short stacking energy: -249.381
Base-Backbone interact. energy: -1.312
local terms energy: -259.143065
where:
bonds (distance) C4'-P energy: -48.519
bonds (distance) P-C4' energy: -48.942
flat angles C4'-P-C4' energy: -52.941
flat angles P-C4'-P energy: -32.467
tors. eta vs tors. theta energy: -76.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -860.505609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.505609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.505609 (E_RNA)
where:
Base-Base interactions energy: -599.522
where: short stacking energy: -256.926
Base-Backbone interact. energy: -2.366
local terms energy: -258.616955
where:
bonds (distance) C4'-P energy: -42.232
bonds (distance) P-C4' energy: -39.611
flat angles C4'-P-C4' energy: -54.874
flat angles P-C4'-P energy: -41.475
tors. eta vs tors. theta energy: -80.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -813.395460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.395460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.395460 (E_RNA)
where:
Base-Base interactions energy: -565.522
where: short stacking energy: -239.000
Base-Backbone interact. energy: -1.656
local terms energy: -246.218255
where:
bonds (distance) C4'-P energy: -36.585
bonds (distance) P-C4' energy: -46.595
flat angles C4'-P-C4' energy: -56.443
flat angles P-C4'-P energy: -34.826
tors. eta vs tors. theta energy: -71.769
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: 4
Temperature: 1.200000
Total energy: -840.751095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.751095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.751095 (E_RNA)
where:
Base-Base interactions energy: -588.702
where: short stacking energy: -244.205
Base-Backbone interact. energy: -0.755
local terms energy: -251.294266
where:
bonds (distance) C4'-P energy: -33.899
bonds (distance) P-C4' energy: -52.262
flat angles C4'-P-C4' energy: -58.271
flat angles P-C4'-P energy: -33.386
tors. eta vs tors. theta energy: -73.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -765.810816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.810816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.810816 (E_RNA)
where:
Base-Base interactions energy: -528.585
where: short stacking energy: -223.535
Base-Backbone interact. energy: 0.015
local terms energy: -237.240920
where:
bonds (distance) C4'-P energy: -41.339
bonds (distance) P-C4' energy: -46.953
flat angles C4'-P-C4' energy: -48.311
flat angles P-C4'-P energy: -32.025
tors. eta vs tors. theta energy: -68.613
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: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -741.255077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.255077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.255077 (E_RNA)
where:
Base-Base interactions energy: -489.683
where: short stacking energy: -204.692
Base-Backbone interact. energy: 2.343
local terms energy: -253.914771
where:
bonds (distance) C4'-P energy: -46.160
bonds (distance) P-C4' energy: -45.891
flat angles C4'-P-C4' energy: -53.327
flat angles P-C4'-P energy: -40.421
tors. eta vs tors. theta energy: -68.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -651.283990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.283990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.283990 (E_RNA)
where:
Base-Base interactions energy: -436.617
where: short stacking energy: -186.629
Base-Backbone interact. energy: -0.937
local terms energy: -213.729972
where:
bonds (distance) C4'-P energy: -45.955
bonds (distance) P-C4' energy: -45.643
flat angles C4'-P-C4' energy: -42.734
flat angles P-C4'-P energy: -34.925
tors. eta vs tors. theta energy: -44.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -953.422593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.422593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.422593 (E_RNA)
where:
Base-Base interactions energy: -652.544
where: short stacking energy: -298.212
Base-Backbone interact. energy: 0.242
local terms energy: -301.121109
where:
bonds (distance) C4'-P energy: -55.576
bonds (distance) P-C4' energy: -53.203
flat angles C4'-P-C4' energy: -62.396
flat angles P-C4'-P energy: -42.498
tors. eta vs tors. theta energy: -87.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -950.277887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.277887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.277887 (E_RNA)
where:
Base-Base interactions energy: -655.225
where: short stacking energy: -281.829
Base-Backbone interact. energy: -0.700
local terms energy: -294.353187
where:
bonds (distance) C4'-P energy: -54.071
bonds (distance) P-C4' energy: -48.441
flat angles C4'-P-C4' energy: -65.161
flat angles P-C4'-P energy: -45.014
tors. eta vs tors. theta energy: -81.666
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: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -926.143586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.143586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.143586 (E_RNA)
where:
Base-Base interactions energy: -638.462
where: short stacking energy: -284.824
Base-Backbone interact. energy: -0.957
local terms energy: -286.724002
where:
bonds (distance) C4'-P energy: -56.322
bonds (distance) P-C4' energy: -52.756
flat angles C4'-P-C4' energy: -54.104
flat angles P-C4'-P energy: -39.917
tors. eta vs tors. theta energy: -83.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -888.866079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.866079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.866079 (E_RNA)
where:
Base-Base interactions energy: -614.071
where: short stacking energy: -272.085
Base-Backbone interact. energy: -3.043
local terms energy: -271.751843
where:
bonds (distance) C4'-P energy: -51.091
bonds (distance) P-C4' energy: -55.366
flat angles C4'-P-C4' energy: -49.727
flat angles P-C4'-P energy: -33.764
tors. eta vs tors. theta energy: -81.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -896.878448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.878448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.878448 (E_RNA)
where:
Base-Base interactions energy: -633.364
where: short stacking energy: -277.042
Base-Backbone interact. energy: -0.981
local terms energy: -262.533684
where:
bonds (distance) C4'-P energy: -50.624
bonds (distance) P-C4' energy: -42.244
flat angles C4'-P-C4' energy: -52.090
flat angles P-C4'-P energy: -37.951
tors. eta vs tors. theta energy: -79.625
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: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -810.392933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.392933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.392933 (E_RNA)
where:
Base-Base interactions energy: -563.308
where: short stacking energy: -238.334
Base-Backbone interact. energy: 1.687
local terms energy: -248.771600
where:
bonds (distance) C4'-P energy: -44.561
bonds (distance) P-C4' energy: -50.105
flat angles C4'-P-C4' energy: -52.638
flat angles P-C4'-P energy: -38.366
tors. eta vs tors. theta energy: -63.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -849.819703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.819703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.819703 (E_RNA)
where:
Base-Base interactions energy: -603.941
where: short stacking energy: -266.957
Base-Backbone interact. energy: -0.948
local terms energy: -244.930609
where:
bonds (distance) C4'-P energy: -34.551
bonds (distance) P-C4' energy: -49.535
flat angles C4'-P-C4' energy: -51.226
flat angles P-C4'-P energy: -34.531
tors. eta vs tors. theta energy: -75.087
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: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -721.971335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.971335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.971335 (E_RNA)
where:
Base-Base interactions energy: -500.119
where: short stacking energy: -199.501
Base-Backbone interact. energy: -2.350
local terms energy: -219.503167
where:
bonds (distance) C4'-P energy: -39.237
bonds (distance) P-C4' energy: -46.870
flat angles C4'-P-C4' energy: -48.340
flat angles P-C4'-P energy: -28.612
tors. eta vs tors. theta energy: -56.443
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: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -742.490249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.490249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.490249 (E_RNA)
where:
Base-Base interactions energy: -526.830
where: short stacking energy: -216.491
Base-Backbone interact. energy: -0.833
local terms energy: -214.827361
where:
bonds (distance) C4'-P energy: -40.356
bonds (distance) P-C4' energy: -34.892
flat angles C4'-P-C4' energy: -55.321
flat angles P-C4'-P energy: -31.145
tors. eta vs tors. theta energy: -53.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -605.717945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.717945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.717945 (E_RNA)
where:
Base-Base interactions energy: -395.691
where: short stacking energy: -152.034
Base-Backbone interact. energy: 0.551
local terms energy: -210.577403
where:
bonds (distance) C4'-P energy: -43.386
bonds (distance) P-C4' energy: -48.004
flat angles C4'-P-C4' energy: -56.498
flat angles P-C4'-P energy: -22.549
tors. eta vs tors. theta energy: -40.140
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: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -953.791522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.791522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.791522 (E_RNA)
where:
Base-Base interactions energy: -663.001
where: short stacking energy: -304.453
Base-Backbone interact. energy: 0.042
local terms energy: -290.832100
where:
bonds (distance) C4'-P energy: -51.217
bonds (distance) P-C4' energy: -51.622
flat angles C4'-P-C4' energy: -59.163
flat angles P-C4'-P energy: -42.017
tors. eta vs tors. theta energy: -86.813
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: 6
Temperature: 0.950000
Total energy: -922.991698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.991698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.991698 (E_RNA)
where:
Base-Base interactions energy: -636.098
where: short stacking energy: -272.505
Base-Backbone interact. energy: -1.254
local terms energy: -285.640302
where:
bonds (distance) C4'-P energy: -45.215
bonds (distance) P-C4' energy: -53.924
flat angles C4'-P-C4' energy: -62.970
flat angles P-C4'-P energy: -45.765
tors. eta vs tors. theta energy: -77.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -916.828717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.828717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.828717 (E_RNA)
where:
Base-Base interactions energy: -632.866
where: short stacking energy: -283.899
Base-Backbone interact. energy: -1.149
local terms energy: -282.813736
where:
bonds (distance) C4'-P energy: -52.455
bonds (distance) P-C4' energy: -47.739
flat angles C4'-P-C4' energy: -54.911
flat angles P-C4'-P energy: -44.653
tors. eta vs tors. theta energy: -83.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -883.177552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.177552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.177552 (E_RNA)
where:
Base-Base interactions energy: -616.844
where: short stacking energy: -260.416
Base-Backbone interact. energy: -1.437
local terms energy: -264.896538
where:
bonds (distance) C4'-P energy: -48.574
bonds (distance) P-C4' energy: -39.887
flat angles C4'-P-C4' energy: -53.494
flat angles P-C4'-P energy: -40.092
tors. eta vs tors. theta energy: -82.851
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: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -853.642269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.642269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.642269 (E_RNA)
where:
Base-Base interactions energy: -594.577
where: short stacking energy: -257.762
Base-Backbone interact. energy: -1.583
local terms energy: -257.482007
where:
bonds (distance) C4'-P energy: -55.523
bonds (distance) P-C4' energy: -30.862
flat angles C4'-P-C4' energy: -57.153
flat angles P-C4'-P energy: -35.733
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: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -815.944493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.944493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.944493 (E_RNA)
where:
Base-Base interactions energy: -562.733
where: short stacking energy: -240.246
Base-Backbone interact. energy: -0.951
local terms energy: -252.261090
where:
bonds (distance) C4'-P energy: -51.410
bonds (distance) P-C4' energy: -51.602
flat angles C4'-P-C4' energy: -53.531
flat angles P-C4'-P energy: -28.530
tors. eta vs tors. theta energy: -67.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -822.902509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.902509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.902509 (E_RNA)
where:
Base-Base interactions energy: -587.775
where: short stacking energy: -253.928
Base-Backbone interact. energy: -0.997
local terms energy: -234.130208
where:
bonds (distance) C4'-P energy: -35.163
bonds (distance) P-C4' energy: -43.870
flat angles C4'-P-C4' energy: -46.565
flat angles P-C4'-P energy: -31.744
tors. eta vs tors. theta energy: -76.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -753.709208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.709208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.709208 (E_RNA)
where:
Base-Base interactions energy: -519.360
where: short stacking energy: -217.293
Base-Backbone interact. energy: -0.557
local terms energy: -233.792305
where:
bonds (distance) C4'-P energy: -35.905
bonds (distance) P-C4' energy: -38.413
flat angles C4'-P-C4' energy: -58.230
flat angles P-C4'-P energy: -35.797
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: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -726.251588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.251588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.251588 (E_RNA)
where:
Base-Base interactions energy: -495.565
where: short stacking energy: -210.479
Base-Backbone interact. energy: -0.731
local terms energy: -229.955881
where:
bonds (distance) C4'-P energy: -46.184
bonds (distance) P-C4' energy: -53.000
flat angles C4'-P-C4' energy: -47.696
flat angles P-C4'-P energy: -28.629
tors. eta vs tors. theta energy: -54.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -591.550101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.550101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.550101 (E_RNA)
where:
Base-Base interactions energy: -402.179
where: short stacking energy: -176.609
Base-Backbone interact. energy: 1.180
local terms energy: -190.551595
where:
bonds (distance) C4'-P energy: -27.051
bonds (distance) P-C4' energy: -38.262
flat angles C4'-P-C4' energy: -46.455
flat angles P-C4'-P energy: -28.513
tors. eta vs tors. theta energy: -50.271
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: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -947.124874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.124874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.124874 (E_RNA)
where:
Base-Base interactions energy: -660.439
where: short stacking energy: -287.965
Base-Backbone interact. energy: -0.809
local terms energy: -285.877315
where:
bonds (distance) C4'-P energy: -45.686
bonds (distance) P-C4' energy: -54.523
flat angles C4'-P-C4' energy: -57.800
flat angles P-C4'-P energy: -40.938
tors. eta vs tors. theta energy: -86.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -939.162344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.162344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.162344 (E_RNA)
where:
Base-Base interactions energy: -651.318
where: short stacking energy: -287.359
Base-Backbone interact. energy: -1.485
local terms energy: -286.359065
where:
bonds (distance) C4'-P energy: -48.217
bonds (distance) P-C4' energy: -46.742
flat angles C4'-P-C4' energy: -64.015
flat angles P-C4'-P energy: -39.919
tors. eta vs tors. theta energy: -87.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -899.779429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.779429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.779429 (E_RNA)
where:
Base-Base interactions energy: -615.393
where: short stacking energy: -267.292
Base-Backbone interact. energy: 2.763
local terms energy: -287.149372
where:
bonds (distance) C4'-P energy: -44.337
bonds (distance) P-C4' energy: -51.285
flat angles C4'-P-C4' energy: -67.840
flat angles P-C4'-P energy: -44.744
tors. eta vs tors. theta energy: -78.943
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: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -903.805319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.805319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.805319 (E_RNA)
where:
Base-Base interactions energy: -627.557
where: short stacking energy: -266.254
Base-Backbone interact. energy: -2.441
local terms energy: -273.806789
where:
bonds (distance) C4'-P energy: -53.640
bonds (distance) P-C4' energy: -49.391
flat angles C4'-P-C4' energy: -53.100
flat angles P-C4'-P energy: -31.845
tors. eta vs tors. theta energy: -85.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -864.962689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.962689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.962689 (E_RNA)
where:
Base-Base interactions energy: -602.809
where: short stacking energy: -275.519
Base-Backbone interact. energy: -0.728
local terms energy: -261.425728
where:
bonds (distance) C4'-P energy: -47.590
bonds (distance) P-C4' energy: -45.205
flat angles C4'-P-C4' energy: -52.856
flat angles P-C4'-P energy: -31.644
tors. eta vs tors. theta energy: -84.132
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: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -851.578275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.578275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.578275 (E_RNA)
where:
Base-Base interactions energy: -579.301
where: short stacking energy: -262.136
Base-Backbone interact. energy: -0.767
local terms energy: -271.510749
where:
bonds (distance) C4'-P energy: -47.838
bonds (distance) P-C4' energy: -53.359
flat angles C4'-P-C4' energy: -49.670
flat angles P-C4'-P energy: -40.489
tors. eta vs tors. theta energy: -80.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -793.045368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.045368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.045368 (E_RNA)
where:
Base-Base interactions energy: -556.646
where: short stacking energy: -235.637
Base-Backbone interact. energy: 0.221
local terms energy: -236.620435
where:
bonds (distance) C4'-P energy: -52.921
bonds (distance) P-C4' energy: -43.590
flat angles C4'-P-C4' energy: -47.161
flat angles P-C4'-P energy: -29.229
tors. eta vs tors. theta energy: -63.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -745.551156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.551156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.551156 (E_RNA)
where:
Base-Base interactions energy: -510.474
where: short stacking energy: -220.769
Base-Backbone interact. energy: -0.510
local terms energy: -234.566526
where:
bonds (distance) C4'-P energy: -38.236
bonds (distance) P-C4' energy: -43.594
flat angles C4'-P-C4' energy: -51.886
flat angles P-C4'-P energy: -36.761
tors. eta vs tors. theta energy: -64.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -680.054914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.054914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.054914 (E_RNA)
where:
Base-Base interactions energy: -478.933
where: short stacking energy: -186.256
Base-Backbone interact. energy: 1.217
local terms energy: -202.338794
where:
bonds (distance) C4'-P energy: -33.472
bonds (distance) P-C4' energy: -41.848
flat angles C4'-P-C4' energy: -45.671
flat angles P-C4'-P energy: -30.246
tors. eta vs tors. theta energy: -51.102
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: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -447.246961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.246961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.246961 (E_RNA)
where:
Base-Base interactions energy: -288.008
where: short stacking energy: -112.382
Base-Backbone interact. energy: 0.698
local terms energy: -159.937808
where:
bonds (distance) C4'-P energy: -40.403
bonds (distance) P-C4' energy: -49.648
flat angles C4'-P-C4' energy: -43.226
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -10.797
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: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -977.312115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.312115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.312115 (E_RNA)
where:
Base-Base interactions energy: -682.233
where: short stacking energy: -287.571
Base-Backbone interact. energy: -0.462
local terms energy: -294.617555
where:
bonds (distance) C4'-P energy: -51.864
bonds (distance) P-C4' energy: -51.378
flat angles C4'-P-C4' energy: -59.552
flat angles P-C4'-P energy: -42.818
tors. eta vs tors. theta energy: -89.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -937.665275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.665275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.665275 (E_RNA)
where:
Base-Base interactions energy: -665.975
where: short stacking energy: -289.574
Base-Backbone interact. energy: -1.014
local terms energy: -270.677078
where:
bonds (distance) C4'-P energy: -45.413
bonds (distance) P-C4' energy: -45.381
flat angles C4'-P-C4' energy: -60.797
flat angles P-C4'-P energy: -36.989
tors. eta vs tors. theta energy: -82.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -903.308632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.308632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.308632 (E_RNA)
where:
Base-Base interactions energy: -628.084
where: short stacking energy: -283.178
Base-Backbone interact. energy: 2.041
local terms energy: -277.265757
where:
bonds (distance) C4'-P energy: -49.845
bonds (distance) P-C4' energy: -46.428
flat angles C4'-P-C4' energy: -57.792
flat angles P-C4'-P energy: -36.992
tors. eta vs tors. theta energy: -86.208
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: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -886.333882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.333882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.333882 (E_RNA)
where:
Base-Base interactions energy: -615.879
where: short stacking energy: -269.318
Base-Backbone interact. energy: -1.395
local terms energy: -269.059213
where:
bonds (distance) C4'-P energy: -49.300
bonds (distance) P-C4' energy: -46.166
flat angles C4'-P-C4' energy: -53.796
flat angles P-C4'-P energy: -36.024
tors. eta vs tors. theta energy: -83.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -869.583141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.583141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.583141 (E_RNA)
where:
Base-Base interactions energy: -605.697
where: short stacking energy: -248.713
Base-Backbone interact. energy: -0.079
local terms energy: -263.807400
where:
bonds (distance) C4'-P energy: -49.632
bonds (distance) P-C4' energy: -48.587
flat angles C4'-P-C4' energy: -57.275
flat angles P-C4'-P energy: -35.179
tors. eta vs tors. theta energy: -73.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -812.694294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.694294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.694294 (E_RNA)
where:
Base-Base interactions energy: -566.604
where: short stacking energy: -232.125
Base-Backbone interact. energy: -1.050
local terms energy: -245.040393
where:
bonds (distance) C4'-P energy: -36.438
bonds (distance) P-C4' energy: -45.049
flat angles C4'-P-C4' energy: -56.399
flat angles P-C4'-P energy: -39.910
tors. eta vs tors. theta energy: -67.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -735.905253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.905253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.905253 (E_RNA)
where:
Base-Base interactions energy: -504.091
where: short stacking energy: -209.996
Base-Backbone interact. energy: -0.654
local terms energy: -231.160302
where:
bonds (distance) C4'-P energy: -35.790
bonds (distance) P-C4' energy: -44.001
flat angles C4'-P-C4' energy: -51.278
flat angles P-C4'-P energy: -38.947
tors. eta vs tors. theta energy: -61.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -765.104755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.104755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.104755 (E_RNA)
where:
Base-Base interactions energy: -525.283
where: short stacking energy: -214.054
Base-Backbone interact. energy: -1.211
local terms energy: -238.611498
where:
bonds (distance) C4'-P energy: -49.974
bonds (distance) P-C4' energy: -49.304
flat angles C4'-P-C4' energy: -51.031
flat angles P-C4'-P energy: -30.374
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: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -613.817943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.817943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.817943 (E_RNA)
where:
Base-Base interactions energy: -403.688
where: short stacking energy: -175.833
Base-Backbone interact. energy: 1.187
local terms energy: -211.316108
where:
bonds (distance) C4'-P energy: -42.730
bonds (distance) P-C4' energy: -48.124
flat angles C4'-P-C4' energy: -45.046
flat angles P-C4'-P energy: -31.794
tors. eta vs tors. theta energy: -43.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -416.527191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.527191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.527191 (E_RNA)
where:
Base-Base interactions energy: -274.343
where: short stacking energy: -122.567
Base-Backbone interact. energy: -1.002
local terms energy: -141.182965
where:
bonds (distance) C4'-P energy: -33.816
bonds (distance) P-C4' energy: -41.878
flat angles C4'-P-C4' energy: -31.124
flat angles P-C4'-P energy: -24.324
tors. eta vs tors. theta energy: -10.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -970.064731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.064731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.064731 (E_RNA)
where:
Base-Base interactions energy: -665.342
where: short stacking energy: -280.931
Base-Backbone interact. energy: 0.337
local terms energy: -305.059135
where:
bonds (distance) C4'-P energy: -57.871
bonds (distance) P-C4' energy: -49.489
flat angles C4'-P-C4' energy: -65.083
flat angles P-C4'-P energy: -43.186
tors. eta vs tors. theta energy: -89.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -927.391020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.391020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.391020 (E_RNA)
where:
Base-Base interactions energy: -660.161
where: short stacking energy: -296.333
Base-Backbone interact. energy: -0.452
local terms energy: -266.778829
where:
bonds (distance) C4'-P energy: -41.036
bonds (distance) P-C4' energy: -47.548
flat angles C4'-P-C4' energy: -63.988
flat angles P-C4'-P energy: -32.259
tors. eta vs tors. theta energy: -81.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -899.704634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.704634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.704634 (E_RNA)
where:
Base-Base interactions energy: -616.516
where: short stacking energy: -268.697
Base-Backbone interact. energy: 0.775
local terms energy: -283.964251
where:
bonds (distance) C4'-P energy: -48.489
bonds (distance) P-C4' energy: -48.953
flat angles C4'-P-C4' energy: -61.025
flat angles P-C4'-P energy: -43.449
tors. eta vs tors. theta energy: -82.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -883.879463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.879463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.879463 (E_RNA)
where:
Base-Base interactions energy: -609.090
where: short stacking energy: -249.608
Base-Backbone interact. energy: 0.042
local terms energy: -274.831642
where:
bonds (distance) C4'-P energy: -47.980
bonds (distance) P-C4' energy: -49.078
flat angles C4'-P-C4' energy: -58.678
flat angles P-C4'-P energy: -41.171
tors. eta vs tors. theta energy: -77.925
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: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -874.752062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.752062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.752062 (E_RNA)
where:
Base-Base interactions energy: -605.305
where: short stacking energy: -266.367
Base-Backbone interact. energy: 1.386
local terms energy: -270.833428
where:
bonds (distance) C4'-P energy: -40.666
bonds (distance) P-C4' energy: -56.423
flat angles C4'-P-C4' energy: -54.064
flat angles P-C4'-P energy: -40.320
tors. eta vs tors. theta energy: -79.361
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: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -790.038340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.038340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.038340 (E_RNA)
where:
Base-Base interactions energy: -539.497
where: short stacking energy: -237.369
Base-Backbone interact. energy: -2.310
local terms energy: -248.230851
where:
bonds (distance) C4'-P energy: -46.616
bonds (distance) P-C4' energy: -53.166
flat angles C4'-P-C4' energy: -52.663
flat angles P-C4'-P energy: -30.009
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: 7, replica: 9
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -745.576300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.576300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.576300 (E_RNA)
where:
Base-Base interactions energy: -506.286
where: short stacking energy: -211.030
Base-Backbone interact. energy: -0.835
local terms energy: -238.454971
where:
bonds (distance) C4'-P energy: -41.038
bonds (distance) P-C4' energy: -52.321
flat angles C4'-P-C4' energy: -52.042
flat angles P-C4'-P energy: -33.131
tors. eta vs tors. theta energy: -59.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -750.728364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.728364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.728364 (E_RNA)
where:
Base-Base interactions energy: -520.327
where: short stacking energy: -213.403
Base-Backbone interact. energy: -0.439
local terms energy: -229.961799
where:
bonds (distance) C4'-P energy: -35.481
bonds (distance) P-C4' energy: -48.549
flat angles C4'-P-C4' energy: -55.400
flat angles P-C4'-P energy: -28.112
tors. eta vs tors. theta energy: -62.419
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: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -588.150204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.150204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.150204 (E_RNA)
where:
Base-Base interactions energy: -396.358
where: short stacking energy: -164.986
Base-Backbone interact. energy: -0.216
local terms energy: -191.576764
where:
bonds (distance) C4'-P energy: -33.503
bonds (distance) P-C4' energy: -45.321
flat angles C4'-P-C4' energy: -44.037
flat angles P-C4'-P energy: -33.725
tors. eta vs tors. theta energy: -34.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -400.190338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.190338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.190338 (E_RNA)
where:
Base-Base interactions energy: -238.203
where: short stacking energy: -110.613
Base-Backbone interact. energy: 2.383
local terms energy: -164.370174
where:
bonds (distance) C4'-P energy: -41.551
bonds (distance) P-C4' energy: -42.364
flat angles C4'-P-C4' energy: -41.851
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: -16.424
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: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -949.877757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.877757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.877757 (E_RNA)
where:
Base-Base interactions energy: -662.456
where: short stacking energy: -279.947
Base-Backbone interact. energy: -1.731
local terms energy: -285.691674
where:
bonds (distance) C4'-P energy: -48.308
bonds (distance) P-C4' energy: -51.268
flat angles C4'-P-C4' energy: -61.515
flat angles P-C4'-P energy: -44.118
tors. eta vs tors. theta energy: -80.482
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: 10
Temperature: 0.950000
Total energy: -944.497657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.497657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.497657 (E_RNA)
where:
Base-Base interactions energy: -658.466
where: short stacking energy: -291.446
Base-Backbone interact. energy: -0.642
local terms energy: -285.389854
where:
bonds (distance) C4'-P energy: -41.131
bonds (distance) P-C4' energy: -50.354
flat angles C4'-P-C4' energy: -58.242
flat angles P-C4'-P energy: -50.892
tors. eta vs tors. theta energy: -84.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -911.590790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.590790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.590790 (E_RNA)
where:
Base-Base interactions energy: -629.136
where: short stacking energy: -275.091
Base-Backbone interact. energy: -0.457
local terms energy: -281.998041
where:
bonds (distance) C4'-P energy: -55.498
bonds (distance) P-C4' energy: -44.123
flat angles C4'-P-C4' energy: -62.056
flat angles P-C4'-P energy: -44.106
tors. eta vs tors. theta energy: -76.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -905.765622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.765622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.765622 (E_RNA)
where:
Base-Base interactions energy: -620.684
where: short stacking energy: -256.305
Base-Backbone interact. energy: 0.107
local terms energy: -285.188669
where:
bonds (distance) C4'-P energy: -50.308
bonds (distance) P-C4' energy: -53.764
flat angles C4'-P-C4' energy: -56.314
flat angles P-C4'-P energy: -44.823
tors. eta vs tors. theta energy: -79.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -883.758858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.758858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.758858 (E_RNA)
where:
Base-Base interactions energy: -623.158
where: short stacking energy: -255.019
Base-Backbone interact. energy: -0.946
local terms energy: -259.654384
where:
bonds (distance) C4'-P energy: -45.704
bonds (distance) P-C4' energy: -48.461
flat angles C4'-P-C4' energy: -53.919
flat angles P-C4'-P energy: -35.845
tors. eta vs tors. theta energy: -75.726
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: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -800.389409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.389409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.389409 (E_RNA)
where:
Base-Base interactions energy: -561.563
where: short stacking energy: -230.095
Base-Backbone interact. energy: -1.123
local terms energy: -237.703699
where:
bonds (distance) C4'-P energy: -49.251
bonds (distance) P-C4' energy: -49.104
flat angles C4'-P-C4' energy: -43.778
flat angles P-C4'-P energy: -31.472
tors. eta vs tors. theta energy: -64.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -769.490460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.490460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.490460 (E_RNA)
where:
Base-Base interactions energy: -523.731
where: short stacking energy: -221.526
Base-Backbone interact. energy: -1.897
local terms energy: -243.862631
where:
bonds (distance) C4'-P energy: -53.277
bonds (distance) P-C4' energy: -54.242
flat angles C4'-P-C4' energy: -54.531
flat angles P-C4'-P energy: -20.503
tors. eta vs tors. theta energy: -61.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -763.326606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.326606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.326606 (E_RNA)
where:
Base-Base interactions energy: -504.741
where: short stacking energy: -206.831
Base-Backbone interact. energy: -1.520
local terms energy: -257.065083
where:
bonds (distance) C4'-P energy: -48.886
bonds (distance) P-C4' energy: -52.880
flat angles C4'-P-C4' energy: -52.173
flat angles P-C4'-P energy: -35.979
tors. eta vs tors. theta energy: -67.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -524.574140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.574140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.574140 (E_RNA)
where:
Base-Base interactions energy: -339.997
where: short stacking energy: -147.049
Base-Backbone interact. energy: -0.124
local terms energy: -184.453780
where:
bonds (distance) C4'-P energy: -40.651
bonds (distance) P-C4' energy: -47.414
flat angles C4'-P-C4' energy: -41.962
flat angles P-C4'-P energy: -28.491
tors. eta vs tors. theta energy: -25.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -369.327413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.327413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.327413 (E_RNA)
where:
Base-Base interactions energy: -209.128
where: short stacking energy: -112.029
Base-Backbone interact. energy: 2.941
local terms energy: -163.140637
where:
bonds (distance) C4'-P energy: -36.651
bonds (distance) P-C4' energy: -49.809
flat angles C4'-P-C4' energy: -40.240
flat angles P-C4'-P energy: -28.940
tors. eta vs tors. theta energy: -7.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -969.844956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.844956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.844956 (E_RNA)
where:
Base-Base interactions energy: -672.763
where: short stacking energy: -285.950
Base-Backbone interact. energy: -0.369
local terms energy: -296.712924
where:
bonds (distance) C4'-P energy: -53.008
bonds (distance) P-C4' energy: -51.167
flat angles C4'-P-C4' energy: -66.656
flat angles P-C4'-P energy: -43.409
tors. eta vs tors. theta energy: -82.473
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: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -938.595321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.595321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.595321 (E_RNA)
where:
Base-Base interactions energy: -646.521
where: short stacking energy: -278.639
Base-Backbone interact. energy: -1.602
local terms energy: -290.472932
where:
bonds (distance) C4'-P energy: -45.639
bonds (distance) P-C4' energy: -57.678
flat angles C4'-P-C4' energy: -60.783
flat angles P-C4'-P energy: -37.776
tors. eta vs tors. theta energy: -88.596
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: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -914.234483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.234483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.234483 (E_RNA)
where:
Base-Base interactions energy: -620.520
where: short stacking energy: -271.995
Base-Backbone interact. energy: -0.509
local terms energy: -293.205380
where:
bonds (distance) C4'-P energy: -57.142
bonds (distance) P-C4' energy: -48.020
flat angles C4'-P-C4' energy: -56.412
flat angles P-C4'-P energy: -44.393
tors. eta vs tors. theta energy: -87.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -898.761058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.761058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.761058 (E_RNA)
where:
Base-Base interactions energy: -638.251
where: short stacking energy: -277.620
Base-Backbone interact. energy: -1.035
local terms energy: -259.475184
where:
bonds (distance) C4'-P energy: -44.028
bonds (distance) P-C4' energy: -44.065
flat angles C4'-P-C4' energy: -57.014
flat angles P-C4'-P energy: -32.785
tors. eta vs tors. theta energy: -81.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -854.455309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.455309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.455309 (E_RNA)
where:
Base-Base interactions energy: -593.239
where: short stacking energy: -255.118
Base-Backbone interact. energy: 0.894
local terms energy: -262.109611
where:
bonds (distance) C4'-P energy: -48.501
bonds (distance) P-C4' energy: -50.072
flat angles C4'-P-C4' energy: -54.216
flat angles P-C4'-P energy: -34.315
tors. eta vs tors. theta energy: -75.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -765.924899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.924899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.924899 (E_RNA)
where:
Base-Base interactions energy: -531.810
where: short stacking energy: -223.027
Base-Backbone interact. energy: -0.412
local terms energy: -233.703348
where:
bonds (distance) C4'-P energy: -46.731
bonds (distance) P-C4' energy: -46.647
flat angles C4'-P-C4' energy: -49.302
flat angles P-C4'-P energy: -26.729
tors. eta vs tors. theta energy: -64.295
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: 7, replica: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -781.911857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.911857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.911857 (E_RNA)
where:
Base-Base interactions energy: -546.697
where: short stacking energy: -230.690
Base-Backbone interact. energy: 0.280
local terms energy: -235.494873
where:
bonds (distance) C4'-P energy: -38.051
bonds (distance) P-C4' energy: -51.089
flat angles C4'-P-C4' energy: -43.369
flat angles P-C4'-P energy: -31.144
tors. eta vs tors. theta energy: -71.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -775.473122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.473122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.473122 (E_RNA)
where:
Base-Base interactions energy: -531.595
where: short stacking energy: -215.767
Base-Backbone interact. energy: -1.625
local terms energy: -242.252705
where:
bonds (distance) C4'-P energy: -52.276
bonds (distance) P-C4' energy: -39.711
flat angles C4'-P-C4' energy: -53.068
flat angles P-C4'-P energy: -33.540
tors. eta vs tors. theta energy: -63.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -529.027528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.027528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.027528 (E_RNA)
where:
Base-Base interactions energy: -342.794
where: short stacking energy: -160.416
Base-Backbone interact. energy: 0.227
local terms energy: -186.461225
where:
bonds (distance) C4'-P energy: -49.593
bonds (distance) P-C4' energy: -32.018
flat angles C4'-P-C4' energy: -37.700
flat angles P-C4'-P energy: -25.646
tors. eta vs tors. theta energy: -41.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -418.894634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.894634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.894634 (E_RNA)
where:
Base-Base interactions energy: -249.896
where: short stacking energy: -111.114
Base-Backbone interact. energy: -1.028
local terms energy: -167.971297
where:
bonds (distance) C4'-P energy: -43.579
bonds (distance) P-C4' energy: -42.700
flat angles C4'-P-C4' energy: -35.785
flat angles P-C4'-P energy: -24.000
tors. eta vs tors. theta energy: -21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -951.724493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.724493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.724493 (E_RNA)
where:
Base-Base interactions energy: -668.357
where: short stacking energy: -284.452
Base-Backbone interact. energy: -0.588
local terms energy: -282.779898
where:
bonds (distance) C4'-P energy: -54.416
bonds (distance) P-C4' energy: -50.905
flat angles C4'-P-C4' energy: -59.089
flat angles P-C4'-P energy: -34.565
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: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -953.849906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.849906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.849906 (E_RNA)
where:
Base-Base interactions energy: -661.445
where: short stacking energy: -281.963
Base-Backbone interact. energy: -1.055
local terms energy: -291.350130
where:
bonds (distance) C4'-P energy: -51.243
bonds (distance) P-C4' energy: -48.445
flat angles C4'-P-C4' energy: -60.023
flat angles P-C4'-P energy: -40.598
tors. eta vs tors. theta energy: -91.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -931.868852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.868852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.868852 (E_RNA)
where:
Base-Base interactions energy: -639.006
where: short stacking energy: -289.151
Base-Backbone interact. energy: -0.615
local terms energy: -292.247516
where:
bonds (distance) C4'-P energy: -53.032
bonds (distance) P-C4' energy: -49.958
flat angles C4'-P-C4' energy: -58.819
flat angles P-C4'-P energy: -38.768
tors. eta vs tors. theta energy: -91.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -893.234061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.234061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.234061 (E_RNA)
where:
Base-Base interactions energy: -615.409
where: short stacking energy: -265.201
Base-Backbone interact. energy: -3.045
local terms energy: -274.780560
where:
bonds (distance) C4'-P energy: -52.761
bonds (distance) P-C4' energy: -49.864
flat angles C4'-P-C4' energy: -53.753
flat angles P-C4'-P energy: -35.523
tors. eta vs tors. theta energy: -82.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -843.987390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.987390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.987390 (E_RNA)
where:
Base-Base interactions energy: -591.699
where: short stacking energy: -223.551
Base-Backbone interact. energy: -0.271
local terms energy: -252.017219
where:
bonds (distance) C4'-P energy: -39.833
bonds (distance) P-C4' energy: -53.572
flat angles C4'-P-C4' energy: -54.366
flat angles P-C4'-P energy: -35.217
tors. eta vs tors. theta energy: -69.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -778.593717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.593717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.593717 (E_RNA)
where:
Base-Base interactions energy: -561.749
where: short stacking energy: -229.589
Base-Backbone interact. energy: 1.834
local terms energy: -218.678772
where:
bonds (distance) C4'-P energy: -40.977
bonds (distance) P-C4' energy: -39.529
flat angles C4'-P-C4' energy: -50.940
flat angles P-C4'-P energy: -26.201
tors. eta vs tors. theta energy: -61.030
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: 12
Temperature: 1.200000
Total energy: -764.752434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.752434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.752434 (E_RNA)
where:
Base-Base interactions energy: -536.625
where: short stacking energy: -226.190
Base-Backbone interact. energy: -1.027
local terms energy: -227.100896
where:
bonds (distance) C4'-P energy: -37.870
bonds (distance) P-C4' energy: -38.346
flat angles C4'-P-C4' energy: -56.225
flat angles P-C4'-P energy: -25.383
tors. eta vs tors. theta energy: -69.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -757.197217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.197217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.197217 (E_RNA)
where:
Base-Base interactions energy: -518.390
where: short stacking energy: -213.581
Base-Backbone interact. energy: -0.310
local terms energy: -238.497004
where:
bonds (distance) C4'-P energy: -55.613
bonds (distance) P-C4' energy: -43.811
flat angles C4'-P-C4' energy: -48.440
flat angles P-C4'-P energy: -33.333
tors. eta vs tors. theta energy: -57.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -567.280653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.280653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.280653 (E_RNA)
where:
Base-Base interactions energy: -383.687
where: short stacking energy: -142.349
Base-Backbone interact. energy: 4.248
local terms energy: -187.841853
where:
bonds (distance) C4'-P energy: -38.191
bonds (distance) P-C4' energy: -47.988
flat angles C4'-P-C4' energy: -44.597
flat angles P-C4'-P energy: -26.569
tors. eta vs tors. theta energy: -30.497
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: 12
Temperature: 1.350000
Total energy: -368.260670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.260670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.260670 (E_RNA)
where:
Base-Base interactions energy: -217.265
where: short stacking energy: -124.921
Base-Backbone interact. energy: 1.169
local terms energy: -152.164588
where:
bonds (distance) C4'-P energy: -35.139
bonds (distance) P-C4' energy: -36.018
flat angles C4'-P-C4' energy: -42.053
flat angles P-C4'-P energy: -19.935
tors. eta vs tors. theta energy: -19.020
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: 13
Temperature: 0.900000
Total energy: -963.377343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.377343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.377343 (E_RNA)
where:
Base-Base interactions energy: -662.789
where: short stacking energy: -290.044
Base-Backbone interact. energy: 1.082
local terms energy: -301.669900
where:
bonds (distance) C4'-P energy: -50.314
bonds (distance) P-C4' energy: -56.904
flat angles C4'-P-C4' energy: -61.593
flat angles P-C4'-P energy: -41.224
tors. eta vs tors. theta energy: -91.635
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: 6
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -938.831744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.831744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.831744 (E_RNA)
where:
Base-Base interactions energy: -650.307
where: short stacking energy: -286.783
Base-Backbone interact. energy: -0.763
local terms energy: -287.762121
where:
bonds (distance) C4'-P energy: -46.684
bonds (distance) P-C4' energy: -55.965
flat angles C4'-P-C4' energy: -58.098
flat angles P-C4'-P energy: -42.886
tors. eta vs tors. theta energy: -84.129
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: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -937.737545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.737545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.737545 (E_RNA)
where:
Base-Base interactions energy: -651.435
where: short stacking energy: -266.874
Base-Backbone interact. energy: -1.166
local terms energy: -285.136787
where:
bonds (distance) C4'-P energy: -51.450
bonds (distance) P-C4' energy: -56.679
flat angles C4'-P-C4' energy: -61.100
flat angles P-C4'-P energy: -31.843
tors. eta vs tors. theta energy: -84.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -889.556262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.556262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.556262 (E_RNA)
where:
Base-Base interactions energy: -611.857
where: short stacking energy: -273.572
Base-Backbone interact. energy: -0.361
local terms energy: -277.338141
where:
bonds (distance) C4'-P energy: -49.893
bonds (distance) P-C4' energy: -43.333
flat angles C4'-P-C4' energy: -57.242
flat angles P-C4'-P energy: -43.490
tors. eta vs tors. theta energy: -83.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -835.032036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.032036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.032036 (E_RNA)
where:
Base-Base interactions energy: -583.009
where: short stacking energy: -238.227
Base-Backbone interact. energy: -0.944
local terms energy: -251.079402
where:
bonds (distance) C4'-P energy: -44.036
bonds (distance) P-C4' energy: -38.968
flat angles C4'-P-C4' energy: -56.132
flat angles P-C4'-P energy: -36.127
tors. eta vs tors. theta energy: -75.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -760.472862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.472862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.472862 (E_RNA)
where:
Base-Base interactions energy: -518.067
where: short stacking energy: -218.690
Base-Backbone interact. energy: -0.204
local terms energy: -242.202221
where:
bonds (distance) C4'-P energy: -41.434
bonds (distance) P-C4' energy: -58.870
flat angles C4'-P-C4' energy: -52.037
flat angles P-C4'-P energy: -34.064
tors. eta vs tors. theta energy: -55.797
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: 4
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -752.392075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.392075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.392075 (E_RNA)
where:
Base-Base interactions energy: -501.332
where: short stacking energy: -219.833
Base-Backbone interact. energy: -0.674
local terms energy: -250.386369
where:
bonds (distance) C4'-P energy: -51.182
bonds (distance) P-C4' energy: -48.964
flat angles C4'-P-C4' energy: -47.120
flat angles P-C4'-P energy: -35.582
tors. eta vs tors. theta energy: -67.539
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: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -779.520813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.520813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.520813 (E_RNA)
where:
Base-Base interactions energy: -532.661
where: short stacking energy: -216.309
Base-Backbone interact. energy: 1.831
local terms energy: -248.690938
where:
bonds (distance) C4'-P energy: -51.524
bonds (distance) P-C4' energy: -46.873
flat angles C4'-P-C4' energy: -51.868
flat angles P-C4'-P energy: -30.008
tors. eta vs tors. theta energy: -68.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -559.750241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.750241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.750241 (E_RNA)
where:
Base-Base interactions energy: -378.357
where: short stacking energy: -158.685
Base-Backbone interact. energy: 1.663
local terms energy: -183.055489
where:
bonds (distance) C4'-P energy: -28.856
bonds (distance) P-C4' energy: -50.187
flat angles C4'-P-C4' energy: -51.781
flat angles P-C4'-P energy: -29.040
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -380.147135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.147135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.147135 (E_RNA)
where:
Base-Base interactions energy: -200.732
where: short stacking energy: -109.534
Base-Backbone interact. energy: -0.409
local terms energy: -179.005944
where:
bonds (distance) C4'-P energy: -55.717
bonds (distance) P-C4' energy: -47.075
flat angles C4'-P-C4' energy: -45.095
flat angles P-C4'-P energy: -18.544
tors. eta vs tors. theta energy: -12.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -949.709184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.709184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.709184 (E_RNA)
where:
Base-Base interactions energy: -645.797
where: short stacking energy: -293.844
Base-Backbone interact. energy: 0.307
local terms energy: -304.219434
where:
bonds (distance) C4'-P energy: -53.604
bonds (distance) P-C4' energy: -54.674
flat angles C4'-P-C4' energy: -63.595
flat angles P-C4'-P energy: -41.362
tors. eta vs tors. theta energy: -90.984
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: 6
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -938.808647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.808647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.808647 (E_RNA)
where:
Base-Base interactions energy: -654.863
where: short stacking energy: -276.279
Base-Backbone interact. energy: -1.413
local terms energy: -282.533136
where:
bonds (distance) C4'-P energy: -59.455
bonds (distance) P-C4' energy: -53.242
flat angles C4'-P-C4' energy: -50.826
flat angles P-C4'-P energy: -35.377
tors. eta vs tors. theta energy: -83.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -918.121313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.121313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.121313 (E_RNA)
where:
Base-Base interactions energy: -636.562
where: short stacking energy: -271.005
Base-Backbone interact. energy: -0.706
local terms energy: -280.854006
where:
bonds (distance) C4'-P energy: -47.525
bonds (distance) P-C4' energy: -58.549
flat angles C4'-P-C4' energy: -51.679
flat angles P-C4'-P energy: -37.282
tors. eta vs tors. theta energy: -85.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -905.573405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.573405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.573405 (E_RNA)
where:
Base-Base interactions energy: -646.308
where: short stacking energy: -268.538
Base-Backbone interact. energy: 0.811
local terms energy: -260.075813
where:
bonds (distance) C4'-P energy: -46.484
bonds (distance) P-C4' energy: -49.959
flat angles C4'-P-C4' energy: -46.582
flat angles P-C4'-P energy: -38.161
tors. eta vs tors. theta energy: -78.890
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: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -860.284630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.284630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.284630 (E_RNA)
where:
Base-Base interactions energy: -612.471
where: short stacking energy: -247.128
Base-Backbone interact. energy: -0.933
local terms energy: -246.881473
where:
bonds (distance) C4'-P energy: -43.492
bonds (distance) P-C4' energy: -46.250
flat angles C4'-P-C4' energy: -48.112
flat angles P-C4'-P energy: -35.389
tors. eta vs tors. theta energy: -73.638
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: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -747.102342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.102342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.102342 (E_RNA)
where:
Base-Base interactions energy: -536.778
where: short stacking energy: -220.598
Base-Backbone interact. energy: -0.366
local terms energy: -209.958572
where:
bonds (distance) C4'-P energy: -36.013
bonds (distance) P-C4' energy: -42.365
flat angles C4'-P-C4' energy: -52.096
flat angles P-C4'-P energy: -27.836
tors. eta vs tors. theta energy: -51.649
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: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -801.606134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.606134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.606134 (E_RNA)
where:
Base-Base interactions energy: -569.079
where: short stacking energy: -226.071
Base-Backbone interact. energy: -2.130
local terms energy: -230.397014
where:
bonds (distance) C4'-P energy: -38.684
bonds (distance) P-C4' energy: -32.269
flat angles C4'-P-C4' energy: -54.573
flat angles P-C4'-P energy: -37.314
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: 8, replica: 4
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -767.909920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.909920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.909920 (E_RNA)
where:
Base-Base interactions energy: -522.153
where: short stacking energy: -232.418
Base-Backbone interact. energy: -0.519
local terms energy: -245.238160
where:
bonds (distance) C4'-P energy: -51.010
bonds (distance) P-C4' energy: -43.630
flat angles C4'-P-C4' energy: -62.368
flat angles P-C4'-P energy: -26.451
tors. eta vs tors. theta energy: -61.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -594.773601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.773601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.773601 (E_RNA)
where:
Base-Base interactions energy: -381.374
where: short stacking energy: -158.737
Base-Backbone interact. energy: -1.400
local terms energy: -211.999970
where:
bonds (distance) C4'-P energy: -45.658
bonds (distance) P-C4' energy: -44.936
flat angles C4'-P-C4' energy: -45.645
flat angles P-C4'-P energy: -34.040
tors. eta vs tors. theta energy: -41.721
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: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -339.995747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.995747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.995747 (E_RNA)
where:
Base-Base interactions energy: -175.063
where: short stacking energy: -101.627
Base-Backbone interact. energy: -1.265
local terms energy: -163.667861
where:
bonds (distance) C4'-P energy: -45.852
bonds (distance) P-C4' energy: -45.035
flat angles C4'-P-C4' energy: -36.638
flat angles P-C4'-P energy: -33.989
tors. eta vs tors. theta energy: -2.153
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: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -940.272570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.272570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.272570 (E_RNA)
where:
Base-Base interactions energy: -654.108
where: short stacking energy: -282.076
Base-Backbone interact. energy: -0.586
local terms energy: -285.578807
where:
bonds (distance) C4'-P energy: -57.345
bonds (distance) P-C4' energy: -46.271
flat angles C4'-P-C4' energy: -59.803
flat angles P-C4'-P energy: -38.879
tors. eta vs tors. theta energy: -83.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -947.210514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.210514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.210514 (E_RNA)
where:
Base-Base interactions energy: -656.979
where: short stacking energy: -295.290
Base-Backbone interact. energy: -0.444
local terms energy: -289.787131
where:
bonds (distance) C4'-P energy: -46.174
bonds (distance) P-C4' energy: -49.809
flat angles C4'-P-C4' energy: -62.526
flat angles P-C4'-P energy: -41.992
tors. eta vs tors. theta energy: -89.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -897.523366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.523366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.523366 (E_RNA)
where:
Base-Base interactions energy: -626.410
where: short stacking energy: -277.079
Base-Backbone interact. energy: -1.094
local terms energy: -270.019576
where:
bonds (distance) C4'-P energy: -46.722
bonds (distance) P-C4' energy: -52.404
flat angles C4'-P-C4' energy: -55.605
flat angles P-C4'-P energy: -34.507
tors. eta vs tors. theta energy: -80.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -908.064135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.064135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.064135 (E_RNA)
where:
Base-Base interactions energy: -634.294
where: short stacking energy: -285.410
Base-Backbone interact. energy: -0.798
local terms energy: -272.972109
where:
bonds (distance) C4'-P energy: -40.736
bonds (distance) P-C4' energy: -50.213
flat angles C4'-P-C4' energy: -60.043
flat angles P-C4'-P energy: -36.633
tors. eta vs tors. theta energy: -85.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -816.034755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.034755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.034755 (E_RNA)
where:
Base-Base interactions energy: -563.496
where: short stacking energy: -220.640
Base-Backbone interact. energy: -0.895
local terms energy: -251.643436
where:
bonds (distance) C4'-P energy: -38.406
bonds (distance) P-C4' energy: -52.852
flat angles C4'-P-C4' energy: -48.917
flat angles P-C4'-P energy: -38.333
tors. eta vs tors. theta energy: -73.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -787.956542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.956542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.956542 (E_RNA)
where:
Base-Base interactions energy: -543.874
where: short stacking energy: -218.972
Base-Backbone interact. energy: -0.843
local terms energy: -243.239543
where:
bonds (distance) C4'-P energy: -43.080
bonds (distance) P-C4' energy: -45.406
flat angles C4'-P-C4' energy: -50.103
flat angles P-C4'-P energy: -41.935
tors. eta vs tors. theta energy: -62.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -780.660705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.660705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.660705 (E_RNA)
where:
Base-Base interactions energy: -552.482
where: short stacking energy: -226.084
Base-Backbone interact. energy: -1.158
local terms energy: -227.021511
where:
bonds (distance) C4'-P energy: -41.783
bonds (distance) P-C4' energy: -42.031
flat angles C4'-P-C4' energy: -45.410
flat angles P-C4'-P energy: -29.695
tors. eta vs tors. theta energy: -68.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -759.801132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.801132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.801132 (E_RNA)
where:
Base-Base interactions energy: -523.586
where: short stacking energy: -218.167
Base-Backbone interact. energy: -0.222
local terms energy: -235.992639
where:
bonds (distance) C4'-P energy: -40.866
bonds (distance) P-C4' energy: -38.837
flat angles C4'-P-C4' energy: -61.971
flat angles P-C4'-P energy: -32.735
tors. eta vs tors. theta energy: -61.584
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: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -600.302915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.302915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.302915 (E_RNA)
where:
Base-Base interactions energy: -420.893
where: short stacking energy: -172.393
Base-Backbone interact. energy: 0.139
local terms energy: -179.548218
where:
bonds (distance) C4'-P energy: -37.668
bonds (distance) P-C4' energy: -37.951
flat angles C4'-P-C4' energy: -33.521
flat angles P-C4'-P energy: -28.872
tors. eta vs tors. theta energy: -41.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -327.124028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.124028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.124028 (E_RNA)
where:
Base-Base interactions energy: -172.782
where: short stacking energy: -88.328
Base-Backbone interact. energy: 1.085
local terms energy: -155.426922
where:
bonds (distance) C4'-P energy: -46.843
bonds (distance) P-C4' energy: -46.979
flat angles C4'-P-C4' energy: -37.591
flat angles P-C4'-P energy: -17.265
tors. eta vs tors. theta energy: -6.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -948.186215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.186215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.186215 (E_RNA)
where:
Base-Base interactions energy: -640.683
where: short stacking energy: -283.067
Base-Backbone interact. energy: -1.168
local terms energy: -306.335890
where:
bonds (distance) C4'-P energy: -53.132
bonds (distance) P-C4' energy: -62.680
flat angles C4'-P-C4' energy: -59.155
flat angles P-C4'-P energy: -40.854
tors. eta vs tors. theta energy: -90.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -931.783835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.783835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.783835 (E_RNA)
where:
Base-Base interactions energy: -655.104
where: short stacking energy: -278.788
Base-Backbone interact. energy: -1.646
local terms energy: -275.033588
where:
bonds (distance) C4'-P energy: -48.907
bonds (distance) P-C4' energy: -48.002
flat angles C4'-P-C4' energy: -53.422
flat angles P-C4'-P energy: -43.754
tors. eta vs tors. theta energy: -80.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -932.788360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.788360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.788360 (E_RNA)
where:
Base-Base interactions energy: -643.530
where: short stacking energy: -268.833
Base-Backbone interact. energy: -1.029
local terms energy: -288.229101
where:
bonds (distance) C4'-P energy: -43.543
bonds (distance) P-C4' energy: -58.091
flat angles C4'-P-C4' energy: -60.465
flat angles P-C4'-P energy: -45.266
tors. eta vs tors. theta energy: -80.865
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: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -892.509377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.509377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.509377 (E_RNA)
where:
Base-Base interactions energy: -631.170
where: short stacking energy: -277.883
Base-Backbone interact. energy: 0.045
local terms energy: -261.384883
where:
bonds (distance) C4'-P energy: -46.673
bonds (distance) P-C4' energy: -43.592
flat angles C4'-P-C4' energy: -58.627
flat angles P-C4'-P energy: -32.061
tors. eta vs tors. theta energy: -80.432
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: 9
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -836.736285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.736285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.736285 (E_RNA)
where:
Base-Base interactions energy: -575.425
where: short stacking energy: -233.246
Base-Backbone interact. energy: 1.312
local terms energy: -262.623501
where:
bonds (distance) C4'-P energy: -47.722
bonds (distance) P-C4' energy: -51.213
flat angles C4'-P-C4' energy: -57.935
flat angles P-C4'-P energy: -38.498
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: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -815.188836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.188836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.188836 (E_RNA)
where:
Base-Base interactions energy: -578.700
where: short stacking energy: -227.195
Base-Backbone interact. energy: -1.385
local terms energy: -235.103778
where:
bonds (distance) C4'-P energy: -49.844
bonds (distance) P-C4' energy: -39.928
flat angles C4'-P-C4' energy: -45.285
flat angles P-C4'-P energy: -36.039
tors. eta vs tors. theta energy: -64.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -782.617303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.617303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.617303 (E_RNA)
where:
Base-Base interactions energy: -548.969
where: short stacking energy: -219.736
Base-Backbone interact. energy: -0.030
local terms energy: -233.618261
where:
bonds (distance) C4'-P energy: -49.423
bonds (distance) P-C4' energy: -39.117
flat angles C4'-P-C4' energy: -42.535
flat angles P-C4'-P energy: -36.665
tors. eta vs tors. theta energy: -65.879
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: 4
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -745.598035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.598035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.598035 (E_RNA)
where:
Base-Base interactions energy: -501.793
where: short stacking energy: -222.555
Base-Backbone interact. energy: -1.491
local terms energy: -242.313665
where:
bonds (distance) C4'-P energy: -47.561
bonds (distance) P-C4' energy: -46.321
flat angles C4'-P-C4' energy: -51.621
flat angles P-C4'-P energy: -27.989
tors. eta vs tors. theta energy: -68.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -678.255076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.255076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.255076 (E_RNA)
where:
Base-Base interactions energy: -476.297
where: short stacking energy: -199.320
Base-Backbone interact. energy: -0.580
local terms energy: -201.378657
where:
bonds (distance) C4'-P energy: -35.705
bonds (distance) P-C4' energy: -46.187
flat angles C4'-P-C4' energy: -39.656
flat angles P-C4'-P energy: -33.218
tors. eta vs tors. theta energy: -46.613
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: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -353.362753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.362753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.362753 (E_RNA)
where:
Base-Base interactions energy: -169.705
where: short stacking energy: -102.930
Base-Backbone interact. energy: -0.288
local terms energy: -183.369770
where:
bonds (distance) C4'-P energy: -38.878
bonds (distance) P-C4' energy: -44.327
flat angles C4'-P-C4' energy: -51.715
flat angles P-C4'-P energy: -36.102
tors. eta vs tors. theta energy: -12.348
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: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -930.346840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.346840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.346840 (E_RNA)
where:
Base-Base interactions energy: -640.448
where: short stacking energy: -275.895
Base-Backbone interact. energy: -0.316
local terms energy: -289.582337
where:
bonds (distance) C4'-P energy: -53.993
bonds (distance) P-C4' energy: -50.742
flat angles C4'-P-C4' energy: -58.452
flat angles P-C4'-P energy: -44.468
tors. eta vs tors. theta energy: -81.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -938.056033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.056033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.056033 (E_RNA)
where:
Base-Base interactions energy: -653.481
where: short stacking energy: -286.352
Base-Backbone interact. energy: -0.673
local terms energy: -283.901833
where:
bonds (distance) C4'-P energy: -47.579
bonds (distance) P-C4' energy: -49.049
flat angles C4'-P-C4' energy: -61.740
flat angles P-C4'-P energy: -38.493
tors. eta vs tors. theta energy: -87.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -927.580642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.580642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.580642 (E_RNA)
where:
Base-Base interactions energy: -641.439
where: short stacking energy: -275.736
Base-Backbone interact. energy: -0.778
local terms energy: -285.364447
where:
bonds (distance) C4'-P energy: -53.581
bonds (distance) P-C4' energy: -43.546
flat angles C4'-P-C4' energy: -62.554
flat angles P-C4'-P energy: -38.718
tors. eta vs tors. theta energy: -86.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -884.511429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.511429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.511429 (E_RNA)
where:
Base-Base interactions energy: -614.624
where: short stacking energy: -268.316
Base-Backbone interact. energy: -1.092
local terms energy: -268.795080
where:
bonds (distance) C4'-P energy: -50.205
bonds (distance) P-C4' energy: -47.170
flat angles C4'-P-C4' energy: -47.187
flat angles P-C4'-P energy: -38.964
tors. eta vs tors. theta energy: -85.269
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: 9
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -821.511189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.511189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.511189 (E_RNA)
where:
Base-Base interactions energy: -571.771
where: short stacking energy: -219.516
Base-Backbone interact. energy: 0.171
local terms energy: -249.911130
where:
bonds (distance) C4'-P energy: -53.261
bonds (distance) P-C4' energy: -44.157
flat angles C4'-P-C4' energy: -53.014
flat angles P-C4'-P energy: -33.483
tors. eta vs tors. theta energy: -65.996
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: 6, replica: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -814.494700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.494700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.494700 (E_RNA)
where:
Base-Base interactions energy: -561.118
where: short stacking energy: -243.089
Base-Backbone interact. energy: 1.793
local terms energy: -255.168946
where:
bonds (distance) C4'-P energy: -52.088
bonds (distance) P-C4' energy: -55.505
flat angles C4'-P-C4' energy: -51.997
flat angles P-C4'-P energy: -33.500
tors. eta vs tors. theta energy: -62.080
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: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -761.400609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.400609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.400609 (E_RNA)
where:
Base-Base interactions energy: -524.249
where: short stacking energy: -207.594
Base-Backbone interact. energy: -1.013
local terms energy: -236.138576
where:
bonds (distance) C4'-P energy: -42.518
bonds (distance) P-C4' energy: -42.608
flat angles C4'-P-C4' energy: -55.266
flat angles P-C4'-P energy: -29.202
tors. eta vs tors. theta energy: -66.545
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: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -763.961824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.961824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.961824 (E_RNA)
where:
Base-Base interactions energy: -511.578
where: short stacking energy: -223.422
Base-Backbone interact. energy: -0.392
local terms energy: -251.991410
where:
bonds (distance) C4'-P energy: -48.569
bonds (distance) P-C4' energy: -57.159
flat angles C4'-P-C4' energy: -51.733
flat angles P-C4'-P energy: -29.199
tors. eta vs tors. theta energy: -65.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -638.519001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.519001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.519001 (E_RNA)
where:
Base-Base interactions energy: -454.850
where: short stacking energy: -176.169
Base-Backbone interact. energy: 0.006
local terms energy: -183.675282
where:
bonds (distance) C4'-P energy: -23.568
bonds (distance) P-C4' energy: -39.416
flat angles C4'-P-C4' energy: -46.032
flat angles P-C4'-P energy: -26.174
tors. eta vs tors. theta energy: -48.485
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: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -334.029835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.029835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.029835 (E_RNA)
where:
Base-Base interactions energy: -174.600
where: short stacking energy: -102.234
Base-Backbone interact. energy: -0.748
local terms energy: -158.681406
where:
bonds (distance) C4'-P energy: -24.489
bonds (distance) P-C4' energy: -41.810
flat angles C4'-P-C4' energy: -48.889
flat angles P-C4'-P energy: -28.369
tors. eta vs tors. theta energy: -15.124
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: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -975.975272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.975272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.975272 (E_RNA)
where:
Base-Base interactions energy: -687.345
where: short stacking energy: -310.418
Base-Backbone interact. energy: -0.964
local terms energy: -287.666522
where:
bonds (distance) C4'-P energy: -48.713
bonds (distance) P-C4' energy: -46.632
flat angles C4'-P-C4' energy: -65.187
flat angles P-C4'-P energy: -39.659
tors. eta vs tors. theta energy: -87.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -929.602281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.602281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.602281 (E_RNA)
where:
Base-Base interactions energy: -640.642
where: short stacking energy: -276.736
Base-Backbone interact. energy: -1.024
local terms energy: -287.936155
where:
bonds (distance) C4'-P energy: -46.170
bonds (distance) P-C4' energy: -54.271
flat angles C4'-P-C4' energy: -60.355
flat angles P-C4'-P energy: -37.933
tors. eta vs tors. theta energy: -89.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -921.845126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.845126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.845126 (E_RNA)
where:
Base-Base interactions energy: -655.565
where: short stacking energy: -289.254
Base-Backbone interact. energy: -1.349
local terms energy: -264.931488
where:
bonds (distance) C4'-P energy: -28.101
bonds (distance) P-C4' energy: -50.420
flat angles C4'-P-C4' energy: -60.158
flat angles P-C4'-P energy: -42.958
tors. eta vs tors. theta energy: -83.293
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: 6
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -889.572468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.572468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.572468 (E_RNA)
where:
Base-Base interactions energy: -609.761
where: short stacking energy: -265.760
Base-Backbone interact. energy: -0.614
local terms energy: -279.197481
where:
bonds (distance) C4'-P energy: -53.983
bonds (distance) P-C4' energy: -47.173
flat angles C4'-P-C4' energy: -53.781
flat angles P-C4'-P energy: -39.080
tors. eta vs tors. theta energy: -85.180
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: 5, replica: 9
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -823.055346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.055346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.055346 (E_RNA)
where:
Base-Base interactions energy: -577.479
where: short stacking energy: -228.830
Base-Backbone interact. energy: -0.596
local terms energy: -244.980574
where:
bonds (distance) C4'-P energy: -50.110
bonds (distance) P-C4' energy: -39.958
flat angles C4'-P-C4' energy: -51.780
flat angles P-C4'-P energy: -43.398
tors. eta vs tors. theta energy: -59.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -800.717218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.717218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.717218 (E_RNA)
where:
Base-Base interactions energy: -551.082
where: short stacking energy: -222.579
Base-Backbone interact. energy: -0.201
local terms energy: -249.433754
where:
bonds (distance) C4'-P energy: -39.363
bonds (distance) P-C4' energy: -52.896
flat angles C4'-P-C4' energy: -56.588
flat angles P-C4'-P energy: -35.944
tors. eta vs tors. theta energy: -64.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -767.159615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.159615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.159615 (E_RNA)
where:
Base-Base interactions energy: -529.585
where: short stacking energy: -229.161
Base-Backbone interact. energy: 0.806
local terms energy: -238.379980
where:
bonds (distance) C4'-P energy: -49.906
bonds (distance) P-C4' energy: -36.639
flat angles C4'-P-C4' energy: -52.945
flat angles P-C4'-P energy: -33.185
tors. eta vs tors. theta energy: -65.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -745.283650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.283650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.283650 (E_RNA)
where:
Base-Base interactions energy: -516.826
where: short stacking energy: -224.796
Base-Backbone interact. energy: -0.781
local terms energy: -227.676737
where:
bonds (distance) C4'-P energy: -54.420
bonds (distance) P-C4' energy: -44.085
flat angles C4'-P-C4' energy: -43.619
flat angles P-C4'-P energy: -23.343
tors. eta vs tors. theta energy: -62.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -662.238609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.238609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.238609 (E_RNA)
where:
Base-Base interactions energy: -442.569
where: short stacking energy: -187.875
Base-Backbone interact. energy: -0.744
local terms energy: -218.926298
where:
bonds (distance) C4'-P energy: -44.953
bonds (distance) P-C4' energy: -51.578
flat angles C4'-P-C4' energy: -40.665
flat angles P-C4'-P energy: -27.667
tors. eta vs tors. theta energy: -54.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -343.725285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.725285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.725285 (E_RNA)
where:
Base-Base interactions energy: -184.090
where: short stacking energy: -96.175
Base-Backbone interact. energy: -0.308
local terms energy: -159.327048
where:
bonds (distance) C4'-P energy: -34.169
bonds (distance) P-C4' energy: -44.653
flat angles C4'-P-C4' energy: -47.437
flat angles P-C4'-P energy: -26.176
tors. eta vs tors. theta energy: -6.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -964.551299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.551299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.551299 (E_RNA)
where:
Base-Base interactions energy: -664.912
where: short stacking energy: -282.440
Base-Backbone interact. energy: -0.439
local terms energy: -299.200727
where:
bonds (distance) C4'-P energy: -59.490
bonds (distance) P-C4' energy: -49.970
flat angles C4'-P-C4' energy: -61.197
flat angles P-C4'-P energy: -43.420
tors. eta vs tors. theta energy: -85.123
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: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -927.705773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.705773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.705773 (E_RNA)
where:
Base-Base interactions energy: -638.821
where: short stacking energy: -268.548
Base-Backbone interact. energy: -1.490
local terms energy: -287.394804
where:
bonds (distance) C4'-P energy: -50.388
bonds (distance) P-C4' energy: -51.968
flat angles C4'-P-C4' energy: -55.296
flat angles P-C4'-P energy: -47.902
tors. eta vs tors. theta energy: -81.841
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: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -916.941979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.941979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.941979 (E_RNA)
where:
Base-Base interactions energy: -621.769
where: short stacking energy: -272.065
Base-Backbone interact. energy: -1.592
local terms energy: -293.581108
where:
bonds (distance) C4'-P energy: -59.404
bonds (distance) P-C4' energy: -47.626
flat angles C4'-P-C4' energy: -61.656
flat angles P-C4'-P energy: -41.092
tors. eta vs tors. theta energy: -83.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -884.472882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.472882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.472882 (E_RNA)
where:
Base-Base interactions energy: -594.479
where: short stacking energy: -262.431
Base-Backbone interact. energy: -0.589
local terms energy: -289.403990
where:
bonds (distance) C4'-P energy: -57.410
bonds (distance) P-C4' energy: -53.690
flat angles C4'-P-C4' energy: -53.798
flat angles P-C4'-P energy: -42.116
tors. eta vs tors. theta energy: -82.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -847.888582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.888582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.888582 (E_RNA)
where:
Base-Base interactions energy: -588.054
where: short stacking energy: -223.944
Base-Backbone interact. energy: -1.013
local terms energy: -258.821407
where:
bonds (distance) C4'-P energy: -46.445
bonds (distance) P-C4' energy: -46.175
flat angles C4'-P-C4' energy: -55.108
flat angles P-C4'-P energy: -36.122
tors. eta vs tors. theta energy: -74.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -807.579315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.579315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.579315 (E_RNA)
where:
Base-Base interactions energy: -551.955
where: short stacking energy: -239.195
Base-Backbone interact. energy: 0.040
local terms energy: -255.664714
where:
bonds (distance) C4'-P energy: -46.148
bonds (distance) P-C4' energy: -46.624
flat angles C4'-P-C4' energy: -51.569
flat angles P-C4'-P energy: -37.866
tors. eta vs tors. theta energy: -73.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -780.762224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.762224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.762224 (E_RNA)
where:
Base-Base interactions energy: -532.868
where: short stacking energy: -215.549
Base-Backbone interact. energy: 0.034
local terms energy: -247.928361
where:
bonds (distance) C4'-P energy: -34.691
bonds (distance) P-C4' energy: -58.490
flat angles C4'-P-C4' energy: -50.506
flat angles P-C4'-P energy: -33.095
tors. eta vs tors. theta energy: -71.146
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: 5
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -752.431052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.431052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.431052 (E_RNA)
where:
Base-Base interactions energy: -516.047
where: short stacking energy: -231.030
Base-Backbone interact. energy: 3.823
local terms energy: -240.206938
where:
bonds (distance) C4'-P energy: -43.527
bonds (distance) P-C4' energy: -43.496
flat angles C4'-P-C4' energy: -46.893
flat angles P-C4'-P energy: -32.754
tors. eta vs tors. theta energy: -73.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -668.046973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.046973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.046973 (E_RNA)
where:
Base-Base interactions energy: -460.023
where: short stacking energy: -192.243
Base-Backbone interact. energy: -0.638
local terms energy: -207.385620
where:
bonds (distance) C4'-P energy: -46.528
bonds (distance) P-C4' energy: -38.961
flat angles C4'-P-C4' energy: -37.333
flat angles P-C4'-P energy: -35.067
tors. eta vs tors. theta energy: -49.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -374.543249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.543249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.543249 (E_RNA)
where:
Base-Base interactions energy: -208.399
where: short stacking energy: -105.210
Base-Backbone interact. energy: 1.279
local terms energy: -167.423400
where:
bonds (distance) C4'-P energy: -42.110
bonds (distance) P-C4' energy: -49.566
flat angles C4'-P-C4' energy: -39.225
flat angles P-C4'-P energy: -27.070
tors. eta vs tors. theta energy: -9.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -963.569472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.569472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.569472 (E_RNA)
where:
Base-Base interactions energy: -667.919
where: short stacking energy: -299.536
Base-Backbone interact. energy: -0.805
local terms energy: -294.844597
where:
bonds (distance) C4'-P energy: -46.819
bonds (distance) P-C4' energy: -55.569
flat angles C4'-P-C4' energy: -65.481
flat angles P-C4'-P energy: -41.476
tors. eta vs tors. theta energy: -85.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -933.229566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.229566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.229566 (E_RNA)
where:
Base-Base interactions energy: -656.945
where: short stacking energy: -282.486
Base-Backbone interact. energy: 1.189
local terms energy: -277.474039
where:
bonds (distance) C4'-P energy: -44.799
bonds (distance) P-C4' energy: -59.258
flat angles C4'-P-C4' energy: -60.114
flat angles P-C4'-P energy: -32.878
tors. eta vs tors. theta energy: -80.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -913.204400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.204400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.204400 (E_RNA)
where:
Base-Base interactions energy: -645.153
where: short stacking energy: -271.410
Base-Backbone interact. energy: -0.020
local terms energy: -268.031703
where:
bonds (distance) C4'-P energy: -47.108
bonds (distance) P-C4' energy: -47.008
flat angles C4'-P-C4' energy: -53.327
flat angles P-C4'-P energy: -42.870
tors. eta vs tors. theta energy: -77.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -895.830073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.830073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.830073 (E_RNA)
where:
Base-Base interactions energy: -608.119
where: short stacking energy: -279.077
Base-Backbone interact. energy: -0.248
local terms energy: -287.463206
where:
bonds (distance) C4'-P energy: -54.990
bonds (distance) P-C4' energy: -51.448
flat angles C4'-P-C4' energy: -54.585
flat angles P-C4'-P energy: -36.518
tors. eta vs tors. theta energy: -89.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -829.712631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.712631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.712631 (E_RNA)
where:
Base-Base interactions energy: -574.177
where: short stacking energy: -250.725
Base-Backbone interact. energy: -1.318
local terms energy: -254.217601
where:
bonds (distance) C4'-P energy: -40.297
bonds (distance) P-C4' energy: -42.062
flat angles C4'-P-C4' energy: -57.620
flat angles P-C4'-P energy: -42.090
tors. eta vs tors. theta energy: -72.149
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: 9
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -829.473579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.473579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.473579 (E_RNA)
where:
Base-Base interactions energy: -569.193
where: short stacking energy: -241.406
Base-Backbone interact. energy: -0.125
local terms energy: -260.155855
where:
bonds (distance) C4'-P energy: -50.858
bonds (distance) P-C4' energy: -44.444
flat angles C4'-P-C4' energy: -49.606
flat angles P-C4'-P energy: -38.563
tors. eta vs tors. theta energy: -76.684
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: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -755.658877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.658877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.658877 (E_RNA)
where:
Base-Base interactions energy: -530.249
where: short stacking energy: -216.855
Base-Backbone interact. energy: -0.415
local terms energy: -224.994912
where:
bonds (distance) C4'-P energy: -37.182
bonds (distance) P-C4' energy: -51.414
flat angles C4'-P-C4' energy: -45.392
flat angles P-C4'-P energy: -33.181
tors. eta vs tors. theta energy: -57.826
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: 8, replica: 5
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -753.103536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.103536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.103536 (E_RNA)
where:
Base-Base interactions energy: -513.267
where: short stacking energy: -203.491
Base-Backbone interact. energy: -0.948
local terms energy: -238.887949
where:
bonds (distance) C4'-P energy: -39.473
bonds (distance) P-C4' energy: -42.533
flat angles C4'-P-C4' energy: -59.683
flat angles P-C4'-P energy: -33.025
tors. eta vs tors. theta energy: -64.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -631.780853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.780853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.780853 (E_RNA)
where:
Base-Base interactions energy: -428.478
where: short stacking energy: -185.206
Base-Backbone interact. energy: 0.243
local terms energy: -203.546260
where:
bonds (distance) C4'-P energy: -32.625
bonds (distance) P-C4' energy: -46.288
flat angles C4'-P-C4' energy: -36.738
flat angles P-C4'-P energy: -36.336
tors. eta vs tors. theta energy: -51.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -376.922690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.922690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.922690 (E_RNA)
where:
Base-Base interactions energy: -205.474
where: short stacking energy: -101.015
Base-Backbone interact. energy: -0.739
local terms energy: -170.709733
where:
bonds (distance) C4'-P energy: -42.456
bonds (distance) P-C4' energy: -46.627
flat angles C4'-P-C4' energy: -43.213
flat angles P-C4'-P energy: -25.473
tors. eta vs tors. theta energy: -12.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -961.194111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.194111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.194111 (E_RNA)
where:
Base-Base interactions energy: -657.665
where: short stacking energy: -292.142
Base-Backbone interact. energy: 0.701
local terms energy: -304.229736
where:
bonds (distance) C4'-P energy: -49.147
bonds (distance) P-C4' energy: -57.974
flat angles C4'-P-C4' energy: -68.762
flat angles P-C4'-P energy: -39.926
tors. eta vs tors. theta energy: -88.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -929.477780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.477780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.477780 (E_RNA)
where:
Base-Base interactions energy: -645.561
where: short stacking energy: -284.051
Base-Backbone interact. energy: 0.970
local terms energy: -284.886641
where:
bonds (distance) C4'-P energy: -52.479
bonds (distance) P-C4' energy: -43.810
flat angles C4'-P-C4' energy: -56.212
flat angles P-C4'-P energy: -40.737
tors. eta vs tors. theta energy: -91.648
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: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -919.216125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.216125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.216125 (E_RNA)
where:
Base-Base interactions energy: -638.095
where: short stacking energy: -268.285
Base-Backbone interact. energy: -1.254
local terms energy: -279.867257
where:
bonds (distance) C4'-P energy: -57.983
bonds (distance) P-C4' energy: -52.385
flat angles C4'-P-C4' energy: -53.104
flat angles P-C4'-P energy: -42.682
tors. eta vs tors. theta energy: -73.714
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: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -891.868002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.868002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.868002 (E_RNA)
where:
Base-Base interactions energy: -601.975
where: short stacking energy: -270.994
Base-Backbone interact. energy: -0.565
local terms energy: -289.327887
where:
bonds (distance) C4'-P energy: -46.334
bonds (distance) P-C4' energy: -52.914
flat angles C4'-P-C4' energy: -61.041
flat angles P-C4'-P energy: -43.972
tors. eta vs tors. theta energy: -85.067
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: 4
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -807.066523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.066523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.066523 (E_RNA)
where:
Base-Base interactions energy: -550.896
where: short stacking energy: -225.417
Base-Backbone interact. energy: 0.813
local terms energy: -256.983534
where:
bonds (distance) C4'-P energy: -42.382
bonds (distance) P-C4' energy: -50.265
flat angles C4'-P-C4' energy: -53.266
flat angles P-C4'-P energy: -44.284
tors. eta vs tors. theta energy: -66.787
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: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -795.248887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.248887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.248887 (E_RNA)
where:
Base-Base interactions energy: -534.829
where: short stacking energy: -225.344
Base-Backbone interact. energy: -0.898
local terms energy: -259.522100
where:
bonds (distance) C4'-P energy: -56.024
bonds (distance) P-C4' energy: -51.973
flat angles C4'-P-C4' energy: -53.979
flat angles P-C4'-P energy: -26.841
tors. eta vs tors. theta energy: -70.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -787.352352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.352352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.352352 (E_RNA)
where:
Base-Base interactions energy: -548.859
where: short stacking energy: -223.237
Base-Backbone interact. energy: -1.021
local terms energy: -237.471827
where:
bonds (distance) C4'-P energy: -36.573
bonds (distance) P-C4' energy: -44.229
flat angles C4'-P-C4' energy: -43.878
flat angles P-C4'-P energy: -44.190
tors. eta vs tors. theta energy: -68.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -725.249441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.249441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.249441 (E_RNA)
where:
Base-Base interactions energy: -509.922
where: short stacking energy: -213.162
Base-Backbone interact. energy: 1.919
local terms energy: -217.246808
where:
bonds (distance) C4'-P energy: -47.605
bonds (distance) P-C4' energy: -33.183
flat angles C4'-P-C4' energy: -53.141
flat angles P-C4'-P energy: -31.305
tors. eta vs tors. theta energy: -52.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -615.431276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.431276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.431276 (E_RNA)
where:
Base-Base interactions energy: -424.638
where: short stacking energy: -185.308
Base-Backbone interact. energy: 0.159
local terms energy: -190.951905
where:
bonds (distance) C4'-P energy: -40.643
bonds (distance) P-C4' energy: -40.151
flat angles C4'-P-C4' energy: -42.190
flat angles P-C4'-P energy: -23.356
tors. eta vs tors. theta energy: -44.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -396.040934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.040934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.040934 (E_RNA)
where:
Base-Base interactions energy: -214.041
where: short stacking energy: -110.444
Base-Backbone interact. energy: -0.368
local terms energy: -181.631930
where:
bonds (distance) C4'-P energy: -46.950
bonds (distance) P-C4' energy: -51.088
flat angles C4'-P-C4' energy: -46.730
flat angles P-C4'-P energy: -20.461
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -972.704337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.704337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.704337 (E_RNA)
where:
Base-Base interactions energy: -670.001
where: short stacking energy: -292.061
Base-Backbone interact. energy: -1.017
local terms energy: -301.686437
where:
bonds (distance) C4'-P energy: -55.368
bonds (distance) P-C4' energy: -56.430
flat angles C4'-P-C4' energy: -55.327
flat angles P-C4'-P energy: -51.769
tors. eta vs tors. theta energy: -82.793
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: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -928.571638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.571638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.571638 (E_RNA)
where:
Base-Base interactions energy: -636.472
where: short stacking energy: -271.756
Base-Backbone interact. energy: -0.048
local terms energy: -292.051381
where:
bonds (distance) C4'-P energy: -51.278
bonds (distance) P-C4' energy: -48.134
flat angles C4'-P-C4' energy: -59.504
flat angles P-C4'-P energy: -47.920
tors. eta vs tors. theta energy: -85.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -920.670846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.670846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.670846 (E_RNA)
where:
Base-Base interactions energy: -643.451
where: short stacking energy: -285.894
Base-Backbone interact. energy: 3.051
local terms energy: -280.270160
where:
bonds (distance) C4'-P energy: -48.721
bonds (distance) P-C4' energy: -51.794
flat angles C4'-P-C4' energy: -57.209
flat angles P-C4'-P energy: -39.380
tors. eta vs tors. theta energy: -83.167
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: 6
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -918.030493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.030493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.030493 (E_RNA)
where:
Base-Base interactions energy: -646.540
where: short stacking energy: -285.551
Base-Backbone interact. energy: 1.607
local terms energy: -273.097170
where:
bonds (distance) C4'-P energy: -41.823
bonds (distance) P-C4' energy: -46.885
flat angles C4'-P-C4' energy: -59.928
flat angles P-C4'-P energy: -35.009
tors. eta vs tors. theta energy: -89.452
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: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -826.957437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.957437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.957437 (E_RNA)
where:
Base-Base interactions energy: -562.335
where: short stacking energy: -240.670
Base-Backbone interact. energy: 4.949
local terms energy: -269.571363
where:
bonds (distance) C4'-P energy: -51.266
bonds (distance) P-C4' energy: -54.100
flat angles C4'-P-C4' energy: -57.593
flat angles P-C4'-P energy: -38.276
tors. eta vs tors. theta energy: -68.336
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: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -824.449486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.449486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.449486 (E_RNA)
where:
Base-Base interactions energy: -574.664
where: short stacking energy: -249.337
Base-Backbone interact. energy: 0.588
local terms energy: -250.373656
where:
bonds (distance) C4'-P energy: -38.670
bonds (distance) P-C4' energy: -45.347
flat angles C4'-P-C4' energy: -51.927
flat angles P-C4'-P energy: -36.266
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: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -777.759101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.759101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.759101 (E_RNA)
where:
Base-Base interactions energy: -553.050
where: short stacking energy: -216.689
Base-Backbone interact. energy: -1.072
local terms energy: -223.636484
where:
bonds (distance) C4'-P energy: -47.991
bonds (distance) P-C4' energy: -32.845
flat angles C4'-P-C4' energy: -46.794
flat angles P-C4'-P energy: -32.047
tors. eta vs tors. theta energy: -63.959
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: 8, replica: 5
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -721.696794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.696794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.696794 (E_RNA)
where:
Base-Base interactions energy: -505.907
where: short stacking energy: -205.433
Base-Backbone interact. energy: -0.172
local terms energy: -215.617572
where:
bonds (distance) C4'-P energy: -40.895
bonds (distance) P-C4' energy: -49.298
flat angles C4'-P-C4' energy: -45.344
flat angles P-C4'-P energy: -27.090
tors. eta vs tors. theta energy: -52.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -688.066947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.066947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.066947 (E_RNA)
where:
Base-Base interactions energy: -468.551
where: short stacking energy: -186.813
Base-Backbone interact. energy: -0.240
local terms energy: -219.275468
where:
bonds (distance) C4'-P energy: -45.427
bonds (distance) P-C4' energy: -42.009
flat angles C4'-P-C4' energy: -45.543
flat angles P-C4'-P energy: -40.026
tors. eta vs tors. theta energy: -46.272
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: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -365.896949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.896949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.896949 (E_RNA)
where:
Base-Base interactions energy: -218.182
where: short stacking energy: -108.140
Base-Backbone interact. energy: -0.287
local terms energy: -147.428301
where:
bonds (distance) C4'-P energy: -23.611
bonds (distance) P-C4' energy: -48.528
flat angles C4'-P-C4' energy: -36.813
flat angles P-C4'-P energy: -30.449
tors. eta vs tors. theta energy: -8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -969.098343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.098343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.098343 (E_RNA)
where:
Base-Base interactions energy: -663.423
where: short stacking energy: -307.550
Base-Backbone interact. energy: -0.890
local terms energy: -304.785446
where:
bonds (distance) C4'-P energy: -52.187
bonds (distance) P-C4' energy: -53.449
flat angles C4'-P-C4' energy: -62.160
flat angles P-C4'-P energy: -43.681
tors. eta vs tors. theta energy: -93.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -927.173406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.173406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.173406 (E_RNA)
where:
Base-Base interactions energy: -644.673
where: short stacking energy: -279.508
Base-Backbone interact. energy: -0.408
local terms energy: -282.092410
where:
bonds (distance) C4'-P energy: -48.140
bonds (distance) P-C4' energy: -47.199
flat angles C4'-P-C4' energy: -62.909
flat angles P-C4'-P energy: -37.921
tors. eta vs tors. theta energy: -85.924
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: 23
Temperature: 1.000000
Total energy: -898.803563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.803563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.803563 (E_RNA)
where:
Base-Base interactions energy: -625.487
where: short stacking energy: -276.529
Base-Backbone interact. energy: -1.468
local terms energy: -271.848106
where:
bonds (distance) C4'-P energy: -46.476
bonds (distance) P-C4' energy: -44.302
flat angles C4'-P-C4' energy: -60.056
flat angles P-C4'-P energy: -40.947
tors. eta vs tors. theta energy: -80.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -909.190069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.190069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.190069 (E_RNA)
where:
Base-Base interactions energy: -630.619
where: short stacking energy: -269.482
Base-Backbone interact. energy: 0.092
local terms energy: -278.662373
where:
bonds (distance) C4'-P energy: -47.260
bonds (distance) P-C4' energy: -53.475
flat angles C4'-P-C4' energy: -53.743
flat angles P-C4'-P energy: -41.120
tors. eta vs tors. theta energy: -83.064
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: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -822.919334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.919334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.919334 (E_RNA)
where:
Base-Base interactions energy: -570.874
where: short stacking energy: -254.617
Base-Backbone interact. energy: -0.462
local terms energy: -251.583283
where:
bonds (distance) C4'-P energy: -49.164
bonds (distance) P-C4' energy: -47.319
flat angles C4'-P-C4' energy: -50.163
flat angles P-C4'-P energy: -37.159
tors. eta vs tors. theta energy: -67.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -833.519489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.519489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.519489 (E_RNA)
where:
Base-Base interactions energy: -572.851
where: short stacking energy: -254.750
Base-Backbone interact. energy: -0.920
local terms energy: -259.748530
where:
bonds (distance) C4'-P energy: -42.841
bonds (distance) P-C4' energy: -51.867
flat angles C4'-P-C4' energy: -54.579
flat angles P-C4'-P energy: -37.937
tors. eta vs tors. theta energy: -72.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -791.057992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.057992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.057992 (E_RNA)
where:
Base-Base interactions energy: -558.376
where: short stacking energy: -234.660
Base-Backbone interact. energy: -2.164
local terms energy: -230.517618
where:
bonds (distance) C4'-P energy: -40.420
bonds (distance) P-C4' energy: -41.366
flat angles C4'-P-C4' energy: -50.574
flat angles P-C4'-P energy: -27.149
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: 8, replica: 5
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -715.027283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.027283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.027283 (E_RNA)
where:
Base-Base interactions energy: -470.294
where: short stacking energy: -205.989
Base-Backbone interact. energy: -0.993
local terms energy: -243.740129
where:
bonds (distance) C4'-P energy: -45.982
bonds (distance) P-C4' energy: -48.579
flat angles C4'-P-C4' energy: -52.272
flat angles P-C4'-P energy: -31.720
tors. eta vs tors. theta energy: -65.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -663.235761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.235761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.235761 (E_RNA)
where:
Base-Base interactions energy: -458.202
where: short stacking energy: -182.840
Base-Backbone interact. energy: -0.913
local terms energy: -204.120233
where:
bonds (distance) C4'-P energy: -31.357
bonds (distance) P-C4' energy: -39.370
flat angles C4'-P-C4' energy: -48.098
flat angles P-C4'-P energy: -28.591
tors. eta vs tors. theta energy: -56.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -336.687042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.687042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.687042 (E_RNA)
where:
Base-Base interactions energy: -180.830
where: short stacking energy: -94.430
Base-Backbone interact. energy: -1.162
local terms energy: -154.695077
where:
bonds (distance) C4'-P energy: -37.800
bonds (distance) P-C4' energy: -45.106
flat angles C4'-P-C4' energy: -42.747
flat angles P-C4'-P energy: -28.363
tors. eta vs tors. theta energy: -0.679
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: 24
Temperature: 0.900000
Total energy: -951.047093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.047093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.047093 (E_RNA)
where:
Base-Base interactions energy: -665.055
where: short stacking energy: -296.981
Base-Backbone interact. energy: -1.438
local terms energy: -284.554369
where:
bonds (distance) C4'-P energy: -50.734
bonds (distance) P-C4' energy: -45.789
flat angles C4'-P-C4' energy: -61.806
flat angles P-C4'-P energy: -42.258
tors. eta vs tors. theta energy: -83.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -942.541620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.541620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.541620 (E_RNA)
where:
Base-Base interactions energy: -647.327
where: short stacking energy: -296.489
Base-Backbone interact. energy: -1.095
local terms energy: -294.119660
where:
bonds (distance) C4'-P energy: -49.141
bonds (distance) P-C4' energy: -53.353
flat angles C4'-P-C4' energy: -58.352
flat angles P-C4'-P energy: -44.960
tors. eta vs tors. theta energy: -88.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -924.656395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.656395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.656395 (E_RNA)
where:
Base-Base interactions energy: -657.062
where: short stacking energy: -281.249
Base-Backbone interact. energy: -0.902
local terms energy: -266.691990
where:
bonds (distance) C4'-P energy: -45.143
bonds (distance) P-C4' energy: -47.569
flat angles C4'-P-C4' energy: -50.985
flat angles P-C4'-P energy: -41.532
tors. eta vs tors. theta energy: -81.463
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: 6
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -893.071281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.071281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.071281 (E_RNA)
where:
Base-Base interactions energy: -619.060
where: short stacking energy: -273.638
Base-Backbone interact. energy: -1.980
local terms energy: -272.031326
where:
bonds (distance) C4'-P energy: -46.424
bonds (distance) P-C4' energy: -50.767
flat angles C4'-P-C4' energy: -59.059
flat angles P-C4'-P energy: -33.281
tors. eta vs tors. theta energy: -82.500
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: 5, replica: 4
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -847.488319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.488319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.488319 (E_RNA)
where:
Base-Base interactions energy: -607.941
where: short stacking energy: -261.363
Base-Backbone interact. energy: 8.758
local terms energy: -248.305679
where:
bonds (distance) C4'-P energy: -43.026
bonds (distance) P-C4' energy: -43.516
flat angles C4'-P-C4' energy: -57.294
flat angles P-C4'-P energy: -29.132
tors. eta vs tors. theta energy: -75.338
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: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -811.606781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.606781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.606781 (E_RNA)
where:
Base-Base interactions energy: -562.758
where: short stacking energy: -247.814
Base-Backbone interact. energy: 0.256
local terms energy: -249.105065
where:
bonds (distance) C4'-P energy: -47.714
bonds (distance) P-C4' energy: -36.399
flat angles C4'-P-C4' energy: -56.559
flat angles P-C4'-P energy: -35.877
tors. eta vs tors. theta energy: -72.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -785.522191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.522191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.522191 (E_RNA)
where:
Base-Base interactions energy: -550.525
where: short stacking energy: -222.405
Base-Backbone interact. energy: 0.319
local terms energy: -235.316755
where:
bonds (distance) C4'-P energy: -33.353
bonds (distance) P-C4' energy: -38.666
flat angles C4'-P-C4' energy: -60.270
flat angles P-C4'-P energy: -34.324
tors. eta vs tors. theta energy: -68.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -720.408657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.408657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.408657 (E_RNA)
where:
Base-Base interactions energy: -498.092
where: short stacking energy: -220.729
Base-Backbone interact. energy: 0.324
local terms energy: -222.640318
where:
bonds (distance) C4'-P energy: -34.661
bonds (distance) P-C4' energy: -44.237
flat angles C4'-P-C4' energy: -49.941
flat angles P-C4'-P energy: -32.255
tors. eta vs tors. theta energy: -61.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -640.024500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.024500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.024500 (E_RNA)
where:
Base-Base interactions energy: -433.349
where: short stacking energy: -174.352
Base-Backbone interact. energy: -1.637
local terms energy: -205.038364
where:
bonds (distance) C4'-P energy: -39.709
bonds (distance) P-C4' energy: -43.311
flat angles C4'-P-C4' energy: -50.753
flat angles P-C4'-P energy: -27.590
tors. eta vs tors. theta energy: -43.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -439.371633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.371633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.371633 (E_RNA)
where:
Base-Base interactions energy: -249.354
where: short stacking energy: -115.791
Base-Backbone interact. energy: -0.464
local terms energy: -189.553326
where:
bonds (distance) C4'-P energy: -47.183
bonds (distance) P-C4' energy: -47.939
flat angles C4'-P-C4' energy: -46.701
flat angles P-C4'-P energy: -26.067
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -965.362681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.362681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.362681 (E_RNA)
where:
Base-Base interactions energy: -654.455
where: short stacking energy: -287.136
Base-Backbone interact. energy: -0.239
local terms energy: -310.668589
where:
bonds (distance) C4'-P energy: -61.460
bonds (distance) P-C4' energy: -50.311
flat angles C4'-P-C4' energy: -61.076
flat angles P-C4'-P energy: -48.762
tors. eta vs tors. theta energy: -89.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -940.423040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.423040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.423040 (E_RNA)
where:
Base-Base interactions energy: -653.542
where: short stacking energy: -286.708
Base-Backbone interact. energy: -0.114
local terms energy: -286.767583
where:
bonds (distance) C4'-P energy: -43.888
bonds (distance) P-C4' energy: -57.302
flat angles C4'-P-C4' energy: -61.901
flat angles P-C4'-P energy: -33.809
tors. eta vs tors. theta energy: -89.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -929.237701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.237701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.237701 (E_RNA)
where:
Base-Base interactions energy: -635.425
where: short stacking energy: -279.335
Base-Backbone interact. energy: -0.019
local terms energy: -293.794081
where:
bonds (distance) C4'-P energy: -55.474
bonds (distance) P-C4' energy: -43.800
flat angles C4'-P-C4' energy: -67.225
flat angles P-C4'-P energy: -42.558
tors. eta vs tors. theta energy: -84.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -891.017820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.017820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.017820 (E_RNA)
where:
Base-Base interactions energy: -618.763
where: short stacking energy: -264.955
Base-Backbone interact. energy: -0.980
local terms energy: -271.275307
where:
bonds (distance) C4'-P energy: -53.740
bonds (distance) P-C4' energy: -48.701
flat angles C4'-P-C4' energy: -54.443
flat angles P-C4'-P energy: -32.957
tors. eta vs tors. theta energy: -81.434
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: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -849.270730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.270730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.270730 (E_RNA)
where:
Base-Base interactions energy: -597.969
where: short stacking energy: -251.917
Base-Backbone interact. energy: -1.163
local terms energy: -250.138687
where:
bonds (distance) C4'-P energy: -39.838
bonds (distance) P-C4' energy: -44.244
flat angles C4'-P-C4' energy: -59.138
flat angles P-C4'-P energy: -35.663
tors. eta vs tors. theta energy: -71.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -823.219137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.219137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.219137 (E_RNA)
where:
Base-Base interactions energy: -576.635
where: short stacking energy: -251.391
Base-Backbone interact. energy: 0.341
local terms energy: -246.924796
where:
bonds (distance) C4'-P energy: -45.253
bonds (distance) P-C4' energy: -36.684
flat angles C4'-P-C4' energy: -56.308
flat angles P-C4'-P energy: -34.967
tors. eta vs tors. theta energy: -73.713
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: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -807.853951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.853951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.853951 (E_RNA)
where:
Base-Base interactions energy: -562.448
where: short stacking energy: -226.171
Base-Backbone interact. energy: -1.170
local terms energy: -244.235899
where:
bonds (distance) C4'-P energy: -51.640
bonds (distance) P-C4' energy: -41.129
flat angles C4'-P-C4' energy: -47.898
flat angles P-C4'-P energy: -31.117
tors. eta vs tors. theta energy: -72.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -721.989123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.989123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.989123 (E_RNA)
where:
Base-Base interactions energy: -493.914
where: short stacking energy: -212.999
Base-Backbone interact. energy: -0.884
local terms energy: -227.190479
where:
bonds (distance) C4'-P energy: -48.584
bonds (distance) P-C4' energy: -37.115
flat angles C4'-P-C4' energy: -47.287
flat angles P-C4'-P energy: -29.763
tors. eta vs tors. theta energy: -64.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -594.017205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.017205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.017205 (E_RNA)
where:
Base-Base interactions energy: -402.136
where: short stacking energy: -165.533
Base-Backbone interact. energy: 0.902
local terms energy: -192.782842
where:
bonds (distance) C4'-P energy: -43.872
bonds (distance) P-C4' energy: -41.737
flat angles C4'-P-C4' energy: -37.269
flat angles P-C4'-P energy: -35.937
tors. eta vs tors. theta energy: -33.968
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: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -416.694329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.694329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.694329 (E_RNA)
where:
Base-Base interactions energy: -253.757
where: short stacking energy: -110.709
Base-Backbone interact. energy: 2.114
local terms energy: -165.051570
where:
bonds (distance) C4'-P energy: -41.492
bonds (distance) P-C4' energy: -39.956
flat angles C4'-P-C4' energy: -44.051
flat angles P-C4'-P energy: -28.619
tors. eta vs tors. theta energy: -10.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -967.811183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.811183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.811183 (E_RNA)
where:
Base-Base interactions energy: -667.005
where: short stacking energy: -294.791
Base-Backbone interact. energy: -1.672
local terms energy: -299.134168
where:
bonds (distance) C4'-P energy: -52.266
bonds (distance) P-C4' energy: -51.406
flat angles C4'-P-C4' energy: -64.273
flat angles P-C4'-P energy: -47.262
tors. eta vs tors. theta energy: -83.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -939.343113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.343113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.343113 (E_RNA)
where:
Base-Base interactions energy: -640.675
where: short stacking energy: -286.431
Base-Backbone interact. energy: -0.005
local terms energy: -298.663608
where:
bonds (distance) C4'-P energy: -52.294
bonds (distance) P-C4' energy: -54.750
flat angles C4'-P-C4' energy: -62.834
flat angles P-C4'-P energy: -39.103
tors. eta vs tors. theta energy: -89.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -919.285022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.285022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.285022 (E_RNA)
where:
Base-Base interactions energy: -618.588
where: short stacking energy: -269.987
Base-Backbone interact. energy: -1.599
local terms energy: -299.098035
where:
bonds (distance) C4'-P energy: -52.013
bonds (distance) P-C4' energy: -55.057
flat angles C4'-P-C4' energy: -58.342
flat angles P-C4'-P energy: -50.584
tors. eta vs tors. theta energy: -83.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -904.832514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.832514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.832514 (E_RNA)
where:
Base-Base interactions energy: -617.931
where: short stacking energy: -279.388
Base-Backbone interact. energy: -0.747
local terms energy: -286.154753
where:
bonds (distance) C4'-P energy: -44.487
bonds (distance) P-C4' energy: -53.405
flat angles C4'-P-C4' energy: -57.735
flat angles P-C4'-P energy: -43.341
tors. eta vs tors. theta energy: -87.185
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: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -821.105709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.105709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.105709 (E_RNA)
where:
Base-Base interactions energy: -551.930
where: short stacking energy: -251.346
Base-Backbone interact. energy: -0.477
local terms energy: -268.698718
where:
bonds (distance) C4'-P energy: -45.821
bonds (distance) P-C4' energy: -50.942
flat angles C4'-P-C4' energy: -58.933
flat angles P-C4'-P energy: -39.940
tors. eta vs tors. theta energy: -73.063
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: 6, replica: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -814.500076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.500076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.500076 (E_RNA)
where:
Base-Base interactions energy: -570.098
where: short stacking energy: -240.383
Base-Backbone interact. energy: -1.402
local terms energy: -243.000928
where:
bonds (distance) C4'-P energy: -32.591
bonds (distance) P-C4' energy: -54.356
flat angles C4'-P-C4' energy: -53.218
flat angles P-C4'-P energy: -31.938
tors. eta vs tors. theta energy: -70.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -798.831438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.831438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.831438 (E_RNA)
where:
Base-Base interactions energy: -551.450
where: short stacking energy: -225.561
Base-Backbone interact. energy: -1.049
local terms energy: -246.332092
where:
bonds (distance) C4'-P energy: -41.969
bonds (distance) P-C4' energy: -46.143
flat angles C4'-P-C4' energy: -55.833
flat angles P-C4'-P energy: -31.878
tors. eta vs tors. theta energy: -70.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -724.624744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.624744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.624744 (E_RNA)
where:
Base-Base interactions energy: -503.638
where: short stacking energy: -207.153
Base-Backbone interact. energy: -1.061
local terms energy: -219.925868
where:
bonds (distance) C4'-P energy: -38.744
bonds (distance) P-C4' energy: -50.841
flat angles C4'-P-C4' energy: -42.797
flat angles P-C4'-P energy: -24.866
tors. eta vs tors. theta energy: -62.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -631.574958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.574958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.574958 (E_RNA)
where:
Base-Base interactions energy: -412.972
where: short stacking energy: -167.685
Base-Backbone interact. energy: -1.276
local terms energy: -217.327391
where:
bonds (distance) C4'-P energy: -41.631
bonds (distance) P-C4' energy: -52.299
flat angles C4'-P-C4' energy: -48.325
flat angles P-C4'-P energy: -35.523
tors. eta vs tors. theta energy: -39.549
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: 26
Temperature: 1.350000
Total energy: -419.701930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.701930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.701930 (E_RNA)
where:
Base-Base interactions energy: -250.269
where: short stacking energy: -133.148
Base-Backbone interact. energy: -2.865
local terms energy: -166.567686
where:
bonds (distance) C4'-P energy: -35.373
bonds (distance) P-C4' energy: -41.602
flat angles C4'-P-C4' energy: -37.172
flat angles P-C4'-P energy: -20.958
tors. eta vs tors. theta energy: -31.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -966.107690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.107690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.107690 (E_RNA)
where:
Base-Base interactions energy: -667.049
where: short stacking energy: -296.488
Base-Backbone interact. energy: -1.486
local terms energy: -297.573105
where:
bonds (distance) C4'-P energy: -54.958
bonds (distance) P-C4' energy: -57.132
flat angles C4'-P-C4' energy: -56.536
flat angles P-C4'-P energy: -39.975
tors. eta vs tors. theta energy: -88.973
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: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -933.467744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.467744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.467744 (E_RNA)
where:
Base-Base interactions energy: -650.238
where: short stacking energy: -300.064
Base-Backbone interact. energy: 0.544
local terms energy: -283.773935
where:
bonds (distance) C4'-P energy: -38.755
bonds (distance) P-C4' energy: -50.974
flat angles C4'-P-C4' energy: -58.022
flat angles P-C4'-P energy: -43.159
tors. eta vs tors. theta energy: -92.864
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: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -918.044225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.044225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.044225 (E_RNA)
where:
Base-Base interactions energy: -616.588
where: short stacking energy: -268.410
Base-Backbone interact. energy: -1.150
local terms energy: -300.305910
where:
bonds (distance) C4'-P energy: -55.027
bonds (distance) P-C4' energy: -59.418
flat angles C4'-P-C4' energy: -52.708
flat angles P-C4'-P energy: -49.642
tors. eta vs tors. theta energy: -83.511
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: 4, replica: 7
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -834.721678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.721678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.721678 (E_RNA)
where:
Base-Base interactions energy: -575.622
where: short stacking energy: -247.868
Base-Backbone interact. energy: -0.486
local terms energy: -258.613945
where:
bonds (distance) C4'-P energy: -49.569
bonds (distance) P-C4' energy: -51.062
flat angles C4'-P-C4' energy: -58.157
flat angles P-C4'-P energy: -34.111
tors. eta vs tors. theta energy: -65.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -862.295432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.295432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.295432 (E_RNA)
where:
Base-Base interactions energy: -611.965
where: short stacking energy: -262.840
Base-Backbone interact. energy: -1.223
local terms energy: -249.107422
where:
bonds (distance) C4'-P energy: -46.262
bonds (distance) P-C4' energy: -51.913
flat angles C4'-P-C4' energy: -52.514
flat angles P-C4'-P energy: -27.679
tors. eta vs tors. theta energy: -70.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -813.446954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.446954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.446954 (E_RNA)
where:
Base-Base interactions energy: -553.834
where: short stacking energy: -241.488
Base-Backbone interact. energy: -0.460
local terms energy: -259.152949
where:
bonds (distance) C4'-P energy: -47.148
bonds (distance) P-C4' energy: -42.769
flat angles C4'-P-C4' energy: -51.128
flat angles P-C4'-P energy: -38.269
tors. eta vs tors. theta energy: -79.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -796.162489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.162489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.162489 (E_RNA)
where:
Base-Base interactions energy: -558.984
where: short stacking energy: -228.993
Base-Backbone interact. energy: 0.930
local terms energy: -238.108808
where:
bonds (distance) C4'-P energy: -38.462
bonds (distance) P-C4' energy: -44.089
flat angles C4'-P-C4' energy: -58.696
flat angles P-C4'-P energy: -30.871
tors. eta vs tors. theta energy: -65.991
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: 5
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -740.156692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.156692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.156692 (E_RNA)
where:
Base-Base interactions energy: -516.577
where: short stacking energy: -216.462
Base-Backbone interact. energy: -2.856
local terms energy: -220.723757
where:
bonds (distance) C4'-P energy: -42.858
bonds (distance) P-C4' energy: -44.265
flat angles C4'-P-C4' energy: -41.036
flat angles P-C4'-P energy: -34.098
tors. eta vs tors. theta energy: -58.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -631.403842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.403842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.403842 (E_RNA)
where:
Base-Base interactions energy: -432.454
where: short stacking energy: -180.994
Base-Backbone interact. energy: -0.581
local terms energy: -198.369130
where:
bonds (distance) C4'-P energy: -36.003
bonds (distance) P-C4' energy: -46.274
flat angles C4'-P-C4' energy: -43.780
flat angles P-C4'-P energy: -27.785
tors. eta vs tors. theta energy: -44.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -406.537075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.537075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.537075 (E_RNA)
where:
Base-Base interactions energy: -236.386
where: short stacking energy: -117.827
Base-Backbone interact. energy: 2.380
local terms energy: -172.531088
where:
bonds (distance) C4'-P energy: -43.455
bonds (distance) P-C4' energy: -44.500
flat angles C4'-P-C4' energy: -45.211
flat angles P-C4'-P energy: -35.087
tors. eta vs tors. theta energy: -4.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -962.481297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.481297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.481297 (E_RNA)
where:
Base-Base interactions energy: -674.915
where: short stacking energy: -295.386
Base-Backbone interact. energy: 0.092
local terms energy: -287.658205
where:
bonds (distance) C4'-P energy: -50.667
bonds (distance) P-C4' energy: -50.922
flat angles C4'-P-C4' energy: -59.894
flat angles P-C4'-P energy: -39.882
tors. eta vs tors. theta energy: -86.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -939.002164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.002164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.002164 (E_RNA)
where:
Base-Base interactions energy: -650.807
where: short stacking energy: -282.393
Base-Backbone interact. energy: -0.725
local terms energy: -287.470097
where:
bonds (distance) C4'-P energy: -42.024
bonds (distance) P-C4' energy: -51.178
flat angles C4'-P-C4' energy: -60.705
flat angles P-C4'-P energy: -39.461
tors. eta vs tors. theta energy: -94.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -913.638205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.638205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.638205 (E_RNA)
where:
Base-Base interactions energy: -649.899
where: short stacking energy: -273.290
Base-Backbone interact. energy: 0.279
local terms energy: -264.018071
where:
bonds (distance) C4'-P energy: -52.762
bonds (distance) P-C4' energy: -36.545
flat angles C4'-P-C4' energy: -54.163
flat angles P-C4'-P energy: -42.528
tors. eta vs tors. theta energy: -78.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -849.660545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.660545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.660545 (E_RNA)
where:
Base-Base interactions energy: -579.437
where: short stacking energy: -263.886
Base-Backbone interact. energy: -0.332
local terms energy: -269.891385
where:
bonds (distance) C4'-P energy: -46.263
bonds (distance) P-C4' energy: -54.047
flat angles C4'-P-C4' energy: -59.169
flat angles P-C4'-P energy: -32.124
tors. eta vs tors. theta energy: -78.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -848.172443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.172443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.172443 (E_RNA)
where:
Base-Base interactions energy: -595.310
where: short stacking energy: -251.937
Base-Backbone interact. energy: -0.579
local terms energy: -252.283255
where:
bonds (distance) C4'-P energy: -50.317
bonds (distance) P-C4' energy: -38.996
flat angles C4'-P-C4' energy: -57.184
flat angles P-C4'-P energy: -28.672
tors. eta vs tors. theta energy: -77.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -820.661197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.661197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.661197 (E_RNA)
where:
Base-Base interactions energy: -559.618
where: short stacking energy: -236.106
Base-Backbone interact. energy: 0.475
local terms energy: -261.518159
where:
bonds (distance) C4'-P energy: -46.069
bonds (distance) P-C4' energy: -53.561
flat angles C4'-P-C4' energy: -51.305
flat angles P-C4'-P energy: -38.563
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: 7, replica: 4
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -773.397532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.397532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.397532 (E_RNA)
where:
Base-Base interactions energy: -523.910
where: short stacking energy: -230.160
Base-Backbone interact. energy: -0.436
local terms energy: -249.051490
where:
bonds (distance) C4'-P energy: -40.474
bonds (distance) P-C4' energy: -47.040
flat angles C4'-P-C4' energy: -57.241
flat angles P-C4'-P energy: -37.699
tors. eta vs tors. theta energy: -66.597
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: 5
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -754.953034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.953034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.953034 (E_RNA)
where:
Base-Base interactions energy: -519.587
where: short stacking energy: -228.008
Base-Backbone interact. energy: 1.172
local terms energy: -236.538017
where:
bonds (distance) C4'-P energy: -44.565
bonds (distance) P-C4' energy: -49.699
flat angles C4'-P-C4' energy: -47.688
flat angles P-C4'-P energy: -28.128
tors. eta vs tors. theta energy: -66.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -609.221227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.221227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.221227 (E_RNA)
where:
Base-Base interactions energy: -396.943
where: short stacking energy: -164.298
Base-Backbone interact. energy: 0.035
local terms energy: -212.312998
where:
bonds (distance) C4'-P energy: -45.120
bonds (distance) P-C4' energy: -49.949
flat angles C4'-P-C4' energy: -45.444
flat angles P-C4'-P energy: -30.193
tors. eta vs tors. theta energy: -41.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -403.856771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.856771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.856771 (E_RNA)
where:
Base-Base interactions energy: -232.559
where: short stacking energy: -121.761
Base-Backbone interact. energy: -0.943
local terms energy: -170.354970
where:
bonds (distance) C4'-P energy: -46.053
bonds (distance) P-C4' energy: -36.241
flat angles C4'-P-C4' energy: -42.551
flat angles P-C4'-P energy: -23.402
tors. eta vs tors. theta energy: -22.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -966.898291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.898291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.898291 (E_RNA)
where:
Base-Base interactions energy: -660.710
where: short stacking energy: -300.987
Base-Backbone interact. energy: -1.895
local terms energy: -304.293617
where:
bonds (distance) C4'-P energy: -57.662
bonds (distance) P-C4' energy: -51.617
flat angles C4'-P-C4' energy: -57.234
flat angles P-C4'-P energy: -44.796
tors. eta vs tors. theta energy: -92.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -931.217052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.217052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.217052 (E_RNA)
where:
Base-Base interactions energy: -642.357
where: short stacking energy: -291.171
Base-Backbone interact. energy: -0.624
local terms energy: -288.236273
where:
bonds (distance) C4'-P energy: -54.008
bonds (distance) P-C4' energy: -61.218
flat angles C4'-P-C4' energy: -58.203
flat angles P-C4'-P energy: -30.337
tors. eta vs tors. theta energy: -84.471
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: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -912.333420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.333420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.333420 (E_RNA)
where:
Base-Base interactions energy: -623.252
where: short stacking energy: -277.843
Base-Backbone interact. energy: -1.264
local terms energy: -287.817306
where:
bonds (distance) C4'-P energy: -51.905
bonds (distance) P-C4' energy: -49.923
flat angles C4'-P-C4' energy: -55.743
flat angles P-C4'-P energy: -42.140
tors. eta vs tors. theta energy: -88.106
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: 6
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -885.314274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.314274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.314274 (E_RNA)
where:
Base-Base interactions energy: -607.565
where: short stacking energy: -283.181
Base-Backbone interact. energy: -1.333
local terms energy: -276.416194
where:
bonds (distance) C4'-P energy: -52.538
bonds (distance) P-C4' energy: -38.570
flat angles C4'-P-C4' energy: -57.705
flat angles P-C4'-P energy: -42.280
tors. eta vs tors. theta energy: -85.323
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: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -828.834455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.834455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.834455 (E_RNA)
where:
Base-Base interactions energy: -582.255
where: short stacking energy: -264.230
Base-Backbone interact. energy: 4.012
local terms energy: -250.591921
where:
bonds (distance) C4'-P energy: -34.574
bonds (distance) P-C4' energy: -54.502
flat angles C4'-P-C4' energy: -55.285
flat angles P-C4'-P energy: -39.774
tors. eta vs tors. theta energy: -66.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -791.328956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.328956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.328956 (E_RNA)
where:
Base-Base interactions energy: -549.599
where: short stacking energy: -216.055
Base-Backbone interact. energy: 0.065
local terms energy: -241.795349
where:
bonds (distance) C4'-P energy: -41.477
bonds (distance) P-C4' energy: -43.503
flat angles C4'-P-C4' energy: -60.250
flat angles P-C4'-P energy: -34.426
tors. eta vs tors. theta energy: -62.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -795.907803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.907803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.907803 (E_RNA)
where:
Base-Base interactions energy: -547.152
where: short stacking energy: -225.533
Base-Backbone interact. energy: -0.033
local terms energy: -248.723206
where:
bonds (distance) C4'-P energy: -51.412
bonds (distance) P-C4' energy: -34.800
flat angles C4'-P-C4' energy: -55.849
flat angles P-C4'-P energy: -33.094
tors. eta vs tors. theta energy: -73.568
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: 5
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -748.612962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.612962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.612962 (E_RNA)
where:
Base-Base interactions energy: -505.445
where: short stacking energy: -218.920
Base-Backbone interact. energy: 0.936
local terms energy: -244.103745
where:
bonds (distance) C4'-P energy: -36.535
bonds (distance) P-C4' energy: -47.995
flat angles C4'-P-C4' energy: -53.222
flat angles P-C4'-P energy: -36.923
tors. eta vs tors. theta energy: -69.429
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: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -631.269120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.269120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.269120 (E_RNA)
where:
Base-Base interactions energy: -428.647
where: short stacking energy: -164.371
Base-Backbone interact. energy: -0.269
local terms energy: -202.352651
where:
bonds (distance) C4'-P energy: -42.055
bonds (distance) P-C4' energy: -34.107
flat angles C4'-P-C4' energy: -52.575
flat angles P-C4'-P energy: -31.004
tors. eta vs tors. theta energy: -42.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -410.133002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.133002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.133002 (E_RNA)
where:
Base-Base interactions energy: -259.309
where: short stacking energy: -132.405
Base-Backbone interact. energy: 0.204
local terms energy: -151.027931
where:
bonds (distance) C4'-P energy: -45.321
bonds (distance) P-C4' energy: -32.866
flat angles C4'-P-C4' energy: -32.660
flat angles P-C4'-P energy: -27.275
tors. eta vs tors. theta energy: -12.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -961.551896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.551896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.551896 (E_RNA)
where:
Base-Base interactions energy: -658.093
where: short stacking energy: -303.772
Base-Backbone interact. energy: -1.010
local terms energy: -302.448785
where:
bonds (distance) C4'-P energy: -52.799
bonds (distance) P-C4' energy: -52.975
flat angles C4'-P-C4' energy: -61.809
flat angles P-C4'-P energy: -41.437
tors. eta vs tors. theta energy: -93.428
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: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -943.019013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.019013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.019013 (E_RNA)
where:
Base-Base interactions energy: -643.179
where: short stacking energy: -280.036
Base-Backbone interact. energy: 1.546
local terms energy: -301.385999
where:
bonds (distance) C4'-P energy: -52.421
bonds (distance) P-C4' energy: -53.885
flat angles C4'-P-C4' energy: -63.423
flat angles P-C4'-P energy: -40.970
tors. eta vs tors. theta energy: -90.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -928.363521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.363521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.363521 (E_RNA)
where:
Base-Base interactions energy: -639.586
where: short stacking energy: -276.507
Base-Backbone interact. energy: -1.061
local terms energy: -287.717128
where:
bonds (distance) C4'-P energy: -49.921
bonds (distance) P-C4' energy: -57.108
flat angles C4'-P-C4' energy: -55.769
flat angles P-C4'-P energy: -44.421
tors. eta vs tors. theta energy: -80.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -883.358297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.358297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.358297 (E_RNA)
where:
Base-Base interactions energy: -609.364
where: short stacking energy: -273.451
Base-Backbone interact. energy: -1.056
local terms energy: -272.938783
where:
bonds (distance) C4'-P energy: -48.450
bonds (distance) P-C4' energy: -42.730
flat angles C4'-P-C4' energy: -56.794
flat angles P-C4'-P energy: -38.503
tors. eta vs tors. theta energy: -86.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -825.284003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.284003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.284003 (E_RNA)
where:
Base-Base interactions energy: -554.751
where: short stacking energy: -235.332
Base-Backbone interact. energy: -0.664
local terms energy: -269.869857
where:
bonds (distance) C4'-P energy: -52.381
bonds (distance) P-C4' energy: -54.252
flat angles C4'-P-C4' energy: -54.139
flat angles P-C4'-P energy: -35.873
tors. eta vs tors. theta energy: -73.226
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: 4
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -807.144192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.144192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.144192 (E_RNA)
where:
Base-Base interactions energy: -539.412
where: short stacking energy: -232.302
Base-Backbone interact. energy: -1.440
local terms energy: -266.292663
where:
bonds (distance) C4'-P energy: -50.757
bonds (distance) P-C4' energy: -50.777
flat angles C4'-P-C4' energy: -57.446
flat angles P-C4'-P energy: -35.766
tors. eta vs tors. theta energy: -71.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -786.921469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.921469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.921469 (E_RNA)
where:
Base-Base interactions energy: -552.907
where: short stacking energy: -243.430
Base-Backbone interact. energy: -0.536
local terms energy: -233.479016
where:
bonds (distance) C4'-P energy: -46.561
bonds (distance) P-C4' energy: -35.557
flat angles C4'-P-C4' energy: -50.155
flat angles P-C4'-P energy: -37.530
tors. eta vs tors. theta energy: -63.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -770.633963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.633963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.633963 (E_RNA)
where:
Base-Base interactions energy: -543.786
where: short stacking energy: -230.626
Base-Backbone interact. energy: -0.010
local terms energy: -226.838252
where:
bonds (distance) C4'-P energy: -43.307
bonds (distance) P-C4' energy: -40.456
flat angles C4'-P-C4' energy: -46.682
flat angles P-C4'-P energy: -34.216
tors. eta vs tors. theta energy: -62.178
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: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -630.166839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.166839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.166839 (E_RNA)
where:
Base-Base interactions energy: -416.725
where: short stacking energy: -161.361
Base-Backbone interact. energy: -0.791
local terms energy: -212.650952
where:
bonds (distance) C4'-P energy: -46.816
bonds (distance) P-C4' energy: -47.740
flat angles C4'-P-C4' energy: -42.329
flat angles P-C4'-P energy: -28.528
tors. eta vs tors. theta energy: -47.238
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: 30
Temperature: 1.350000
Total energy: -399.051601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.051601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.051601 (E_RNA)
where:
Base-Base interactions energy: -232.659
where: short stacking energy: -112.123
Base-Backbone interact. energy: 0.002
local terms energy: -166.394916
where:
bonds (distance) C4'-P energy: -42.943
bonds (distance) P-C4' energy: -36.580
flat angles C4'-P-C4' energy: -41.678
flat angles P-C4'-P energy: -34.436
tors. eta vs tors. theta energy: -10.758
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: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -943.033192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.033192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.033192 (E_RNA)
where:
Base-Base interactions energy: -643.474
where: short stacking energy: -290.528
Base-Backbone interact. energy: -0.852
local terms energy: -298.707711
where:
bonds (distance) C4'-P energy: -51.402
bonds (distance) P-C4' energy: -54.446
flat angles C4'-P-C4' energy: -59.410
flat angles P-C4'-P energy: -44.263
tors. eta vs tors. theta energy: -89.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -927.655605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.655605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.655605 (E_RNA)
where:
Base-Base interactions energy: -652.979
where: short stacking energy: -280.501
Base-Backbone interact. energy: -0.111
local terms energy: -274.565635
where:
bonds (distance) C4'-P energy: -44.362
bonds (distance) P-C4' energy: -44.651
flat angles C4'-P-C4' energy: -58.019
flat angles P-C4'-P energy: -42.814
tors. eta vs tors. theta energy: -84.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -931.871931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.871931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.871931 (E_RNA)
where:
Base-Base interactions energy: -648.349
where: short stacking energy: -281.899
Base-Backbone interact. energy: -0.594
local terms energy: -282.929236
where:
bonds (distance) C4'-P energy: -43.128
bonds (distance) P-C4' energy: -45.333
flat angles C4'-P-C4' energy: -59.514
flat angles P-C4'-P energy: -48.383
tors. eta vs tors. theta energy: -86.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -859.372021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.372021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.372021 (E_RNA)
where:
Base-Base interactions energy: -592.780
where: short stacking energy: -262.397
Base-Backbone interact. energy: -1.805
local terms energy: -264.786463
where:
bonds (distance) C4'-P energy: -46.586
bonds (distance) P-C4' energy: -49.270
flat angles C4'-P-C4' energy: -50.763
flat angles P-C4'-P energy: -39.419
tors. eta vs tors. theta energy: -78.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -878.504486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.504486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.504486 (E_RNA)
where:
Base-Base interactions energy: -613.618
where: short stacking energy: -278.888
Base-Backbone interact. energy: -0.098
local terms energy: -264.788558
where:
bonds (distance) C4'-P energy: -39.179
bonds (distance) P-C4' energy: -47.345
flat angles C4'-P-C4' energy: -54.294
flat angles P-C4'-P energy: -39.317
tors. eta vs tors. theta energy: -84.654
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: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -801.197876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.197876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.197876 (E_RNA)
where:
Base-Base interactions energy: -555.106
where: short stacking energy: -239.733
Base-Backbone interact. energy: 3.578
local terms energy: -249.670201
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -53.570
flat angles C4'-P-C4' energy: -58.577
flat angles P-C4'-P energy: -35.740
tors. eta vs tors. theta energy: -68.982
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: 4
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -791.464379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.464379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.464379 (E_RNA)
where:
Base-Base interactions energy: -555.016
where: short stacking energy: -227.988
Base-Backbone interact. energy: 0.959
local terms energy: -237.407109
where:
bonds (distance) C4'-P energy: -45.074
bonds (distance) P-C4' energy: -53.991
flat angles C4'-P-C4' energy: -57.495
flat angles P-C4'-P energy: -22.906
tors. eta vs tors. theta energy: -57.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -721.443134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.443134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.443134 (E_RNA)
where:
Base-Base interactions energy: -504.591
where: short stacking energy: -196.632
Base-Backbone interact. energy: -0.654
local terms energy: -216.197649
where:
bonds (distance) C4'-P energy: -38.688
bonds (distance) P-C4' energy: -44.339
flat angles C4'-P-C4' energy: -48.131
flat angles P-C4'-P energy: -31.524
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: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -640.890301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.890301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.890301 (E_RNA)
where:
Base-Base interactions energy: -413.265
where: short stacking energy: -169.787
Base-Backbone interact. energy: -1.815
local terms energy: -225.810254
where:
bonds (distance) C4'-P energy: -53.817
bonds (distance) P-C4' energy: -50.356
flat angles C4'-P-C4' energy: -44.545
flat angles P-C4'-P energy: -37.055
tors. eta vs tors. theta energy: -40.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -390.711083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.711083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.711083 (E_RNA)
where:
Base-Base interactions energy: -235.272
where: short stacking energy: -127.281
Base-Backbone interact. energy: -1.200
local terms energy: -154.238839
where:
bonds (distance) C4'-P energy: -45.971
bonds (distance) P-C4' energy: -34.291
flat angles C4'-P-C4' energy: -29.273
flat angles P-C4'-P energy: -27.658
tors. eta vs tors. theta energy: -17.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -943.275589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.275589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.275589 (E_RNA)
where:
Base-Base interactions energy: -662.933
where: short stacking energy: -293.134
Base-Backbone interact. energy: 0.267
local terms energy: -280.610072
where:
bonds (distance) C4'-P energy: -51.814
bonds (distance) P-C4' energy: -47.327
flat angles C4'-P-C4' energy: -58.710
flat angles P-C4'-P energy: -35.135
tors. eta vs tors. theta energy: -87.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -942.465310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.465310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.465310 (E_RNA)
where:
Base-Base interactions energy: -643.388
where: short stacking energy: -284.498
Base-Backbone interact. energy: -1.549
local terms energy: -297.528543
where:
bonds (distance) C4'-P energy: -47.355
bonds (distance) P-C4' energy: -58.726
flat angles C4'-P-C4' energy: -63.200
flat angles P-C4'-P energy: -41.866
tors. eta vs tors. theta energy: -86.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -898.990710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.990710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.990710 (E_RNA)
where:
Base-Base interactions energy: -633.948
where: short stacking energy: -279.544
Base-Backbone interact. energy: -1.592
local terms energy: -263.451195
where:
bonds (distance) C4'-P energy: -43.474
bonds (distance) P-C4' energy: -38.759
flat angles C4'-P-C4' energy: -65.760
flat angles P-C4'-P energy: -39.521
tors. eta vs tors. theta energy: -75.936
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: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -855.630656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.630656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.630656 (E_RNA)
where:
Base-Base interactions energy: -586.267
where: short stacking energy: -238.660
Base-Backbone interact. energy: -0.880
local terms energy: -268.483816
where:
bonds (distance) C4'-P energy: -56.256
bonds (distance) P-C4' energy: -43.849
flat angles C4'-P-C4' energy: -59.841
flat angles P-C4'-P energy: -35.569
tors. eta vs tors. theta energy: -72.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -883.830707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.830707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.830707 (E_RNA)
where:
Base-Base interactions energy: -608.421
where: short stacking energy: -252.942
Base-Backbone interact. energy: -0.945
local terms energy: -274.465168
where:
bonds (distance) C4'-P energy: -52.017
bonds (distance) P-C4' energy: -53.556
flat angles C4'-P-C4' energy: -53.050
flat angles P-C4'-P energy: -31.668
tors. eta vs tors. theta energy: -84.175
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: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -801.437416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.437416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.437416 (E_RNA)
where:
Base-Base interactions energy: -553.832
where: short stacking energy: -240.391
Base-Backbone interact. energy: -0.486
local terms energy: -247.119806
where:
bonds (distance) C4'-P energy: -50.147
bonds (distance) P-C4' energy: -51.880
flat angles C4'-P-C4' energy: -54.145
flat angles P-C4'-P energy: -22.214
tors. eta vs tors. theta energy: -68.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -791.577145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.577145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.577145 (E_RNA)
where:
Base-Base interactions energy: -534.935
where: short stacking energy: -234.995
Base-Backbone interact. energy: -0.770
local terms energy: -255.872107
where:
bonds (distance) C4'-P energy: -42.359
bonds (distance) P-C4' energy: -45.899
flat angles C4'-P-C4' energy: -56.925
flat angles P-C4'-P energy: -36.219
tors. eta vs tors. theta energy: -74.470
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: 8, replica: 5
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -731.178075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.178075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.178075 (E_RNA)
where:
Base-Base interactions energy: -502.532
where: short stacking energy: -213.868
Base-Backbone interact. energy: -1.542
local terms energy: -227.104257
where:
bonds (distance) C4'-P energy: -38.180
bonds (distance) P-C4' energy: -44.562
flat angles C4'-P-C4' energy: -56.569
flat angles P-C4'-P energy: -29.478
tors. eta vs tors. theta energy: -58.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -608.077782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.077782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.077782 (E_RNA)
where:
Base-Base interactions energy: -409.033
where: short stacking energy: -166.810
Base-Backbone interact. energy: -0.021
local terms energy: -199.023729
where:
bonds (distance) C4'-P energy: -46.573
bonds (distance) P-C4' energy: -39.275
flat angles C4'-P-C4' energy: -43.508
flat angles P-C4'-P energy: -26.241
tors. eta vs tors. theta energy: -43.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -385.315296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.315296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.315296 (E_RNA)
where:
Base-Base interactions energy: -223.302
where: short stacking energy: -125.232
Base-Backbone interact. energy: 2.207
local terms energy: -164.219569
where:
bonds (distance) C4'-P energy: -40.142
bonds (distance) P-C4' energy: -44.858
flat angles C4'-P-C4' energy: -48.116
flat angles P-C4'-P energy: -22.212
tors. eta vs tors. theta energy: -8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -965.424573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.424573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.424573 (E_RNA)
where:
Base-Base interactions energy: -683.287
where: short stacking energy: -303.251
Base-Backbone interact. energy: -0.883
local terms energy: -281.253837
where:
bonds (distance) C4'-P energy: -42.464
bonds (distance) P-C4' energy: -48.552
flat angles C4'-P-C4' energy: -58.313
flat angles P-C4'-P energy: -42.995
tors. eta vs tors. theta energy: -88.930
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: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -933.508303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.508303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.508303 (E_RNA)
where:
Base-Base interactions energy: -661.881
where: short stacking energy: -292.906
Base-Backbone interact. energy: -0.054
local terms energy: -271.573641
where:
bonds (distance) C4'-P energy: -38.688
bonds (distance) P-C4' energy: -52.502
flat angles C4'-P-C4' energy: -59.116
flat angles P-C4'-P energy: -34.552
tors. eta vs tors. theta energy: -86.715
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: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -903.214243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.214243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.214243 (E_RNA)
where:
Base-Base interactions energy: -631.057
where: short stacking energy: -268.904
Base-Backbone interact. energy: -0.423
local terms energy: -271.734025
where:
bonds (distance) C4'-P energy: -41.688
bonds (distance) P-C4' energy: -56.337
flat angles C4'-P-C4' energy: -55.130
flat angles P-C4'-P energy: -36.622
tors. eta vs tors. theta energy: -81.957
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: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -840.390020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.390020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.390020 (E_RNA)
where:
Base-Base interactions energy: -582.703
where: short stacking energy: -239.929
Base-Backbone interact. energy: -1.848
local terms energy: -255.839435
where:
bonds (distance) C4'-P energy: -43.835
bonds (distance) P-C4' energy: -48.056
flat angles C4'-P-C4' energy: -54.860
flat angles P-C4'-P energy: -35.552
tors. eta vs tors. theta energy: -73.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -865.742714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.742714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.742714 (E_RNA)
where:
Base-Base interactions energy: -590.828
where: short stacking energy: -270.715
Base-Backbone interact. energy: -1.292
local terms energy: -273.622099
where:
bonds (distance) C4'-P energy: -50.897
bonds (distance) P-C4' energy: -47.473
flat angles C4'-P-C4' energy: -59.359
flat angles P-C4'-P energy: -38.383
tors. eta vs tors. theta energy: -77.509
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: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -781.086713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.086713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.086713 (E_RNA)
where:
Base-Base interactions energy: -535.066
where: short stacking energy: -235.733
Base-Backbone interact. energy: -0.695
local terms energy: -245.325855
where:
bonds (distance) C4'-P energy: -46.421
bonds (distance) P-C4' energy: -50.598
flat angles C4'-P-C4' energy: -58.831
flat angles P-C4'-P energy: -27.544
tors. eta vs tors. theta energy: -61.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -784.250936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.250936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.250936 (E_RNA)
where:
Base-Base interactions energy: -532.521
where: short stacking energy: -222.034
Base-Backbone interact. energy: -1.301
local terms energy: -250.429343
where:
bonds (distance) C4'-P energy: -55.043
bonds (distance) P-C4' energy: -49.912
flat angles C4'-P-C4' energy: -54.534
flat angles P-C4'-P energy: -30.769
tors. eta vs tors. theta energy: -60.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -731.558795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.558795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.558795 (E_RNA)
where:
Base-Base interactions energy: -494.563
where: short stacking energy: -207.282
Base-Backbone interact. energy: 0.771
local terms energy: -237.766927
where:
bonds (distance) C4'-P energy: -48.828
bonds (distance) P-C4' energy: -44.366
flat angles C4'-P-C4' energy: -47.523
flat angles P-C4'-P energy: -39.038
tors. eta vs tors. theta energy: -58.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -563.530047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.530047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.530047 (E_RNA)
where:
Base-Base interactions energy: -379.114
where: short stacking energy: -154.015
Base-Backbone interact. energy: -1.651
local terms energy: -182.765044
where:
bonds (distance) C4'-P energy: -39.718
bonds (distance) P-C4' energy: -27.616
flat angles C4'-P-C4' energy: -49.064
flat angles P-C4'-P energy: -30.748
tors. eta vs tors. theta energy: -35.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -407.341909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.341909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.341909 (E_RNA)
where:
Base-Base interactions energy: -244.268
where: short stacking energy: -109.895
Base-Backbone interact. energy: -0.020
local terms energy: -163.053482
where:
bonds (distance) C4'-P energy: -37.401
bonds (distance) P-C4' energy: -48.234
flat angles C4'-P-C4' energy: -48.734
flat angles P-C4'-P energy: -17.303
tors. eta vs tors. theta energy: -11.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -916.119063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.119063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.119063 (E_RNA)
where:
Base-Base interactions energy: -635.009
where: short stacking energy: -270.387
Base-Backbone interact. energy: -1.693
local terms energy: -279.417533
where:
bonds (distance) C4'-P energy: -47.905
bonds (distance) P-C4' energy: -48.413
flat angles C4'-P-C4' energy: -57.438
flat angles P-C4'-P energy: -41.898
tors. eta vs tors. theta energy: -83.764
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: 2, replica: 3
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -930.018942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.018942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.018942 (E_RNA)
where:
Base-Base interactions energy: -643.714
where: short stacking energy: -292.275
Base-Backbone interact. energy: -1.144
local terms energy: -285.161476
where:
bonds (distance) C4'-P energy: -46.661
bonds (distance) P-C4' energy: -56.822
flat angles C4'-P-C4' energy: -56.325
flat angles P-C4'-P energy: -36.888
tors. eta vs tors. theta energy: -88.466
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: 34
Temperature: 1.000000
Total energy: -916.562832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.562832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.562832 (E_RNA)
where:
Base-Base interactions energy: -635.024
where: short stacking energy: -277.055
Base-Backbone interact. energy: -1.491
local terms energy: -280.047668
where:
bonds (distance) C4'-P energy: -55.981
bonds (distance) P-C4' energy: -52.706
flat angles C4'-P-C4' energy: -55.380
flat angles P-C4'-P energy: -38.190
tors. eta vs tors. theta energy: -77.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -856.356925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.356925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.356925 (E_RNA)
where:
Base-Base interactions energy: -598.202
where: short stacking energy: -246.762
Base-Backbone interact. energy: 0.682
local terms energy: -258.837010
where:
bonds (distance) C4'-P energy: -49.784
bonds (distance) P-C4' energy: -50.487
flat angles C4'-P-C4' energy: -49.180
flat angles P-C4'-P energy: -39.002
tors. eta vs tors. theta energy: -70.383
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: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -857.025447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.025447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.025447 (E_RNA)
where:
Base-Base interactions energy: -605.779
where: short stacking energy: -267.469
Base-Backbone interact. energy: 3.708
local terms energy: -254.954788
where:
bonds (distance) C4'-P energy: -35.161
bonds (distance) P-C4' energy: -44.034
flat angles C4'-P-C4' energy: -56.684
flat angles P-C4'-P energy: -41.091
tors. eta vs tors. theta energy: -77.985
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: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -753.949183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.949183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.949183 (E_RNA)
where:
Base-Base interactions energy: -510.436
where: short stacking energy: -229.017
Base-Backbone interact. energy: -0.454
local terms energy: -243.058643
where:
bonds (distance) C4'-P energy: -45.590
bonds (distance) P-C4' energy: -56.084
flat angles C4'-P-C4' energy: -47.712
flat angles P-C4'-P energy: -29.381
tors. eta vs tors. theta energy: -64.292
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: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -756.245887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.245887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.245887 (E_RNA)
where:
Base-Base interactions energy: -529.429
where: short stacking energy: -221.937
Base-Backbone interact. energy: -0.319
local terms energy: -226.497718
where:
bonds (distance) C4'-P energy: -38.301
bonds (distance) P-C4' energy: -42.532
flat angles C4'-P-C4' energy: -50.066
flat angles P-C4'-P energy: -31.456
tors. eta vs tors. theta energy: -64.144
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: 8, replica: 5
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -701.508363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.508363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.508363 (E_RNA)
where:
Base-Base interactions energy: -472.462
where: short stacking energy: -192.827
Base-Backbone interact. energy: 1.645
local terms energy: -230.691087
where:
bonds (distance) C4'-P energy: -46.715
bonds (distance) P-C4' energy: -52.369
flat angles C4'-P-C4' energy: -45.238
flat angles P-C4'-P energy: -29.802
tors. eta vs tors. theta energy: -56.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -557.584037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.584037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.584037 (E_RNA)
where:
Base-Base interactions energy: -375.220
where: short stacking energy: -159.561
Base-Backbone interact. energy: 1.554
local terms energy: -183.918162
where:
bonds (distance) C4'-P energy: -39.441
bonds (distance) P-C4' energy: -41.808
flat angles C4'-P-C4' energy: -42.795
flat angles P-C4'-P energy: -27.493
tors. eta vs tors. theta energy: -32.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -420.604000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.604000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.604000 (E_RNA)
where:
Base-Base interactions energy: -256.043
where: short stacking energy: -119.771
Base-Backbone interact. energy: -1.345
local terms energy: -163.216773
where:
bonds (distance) C4'-P energy: -31.521
bonds (distance) P-C4' energy: -46.832
flat angles C4'-P-C4' energy: -33.547
flat angles P-C4'-P energy: -28.251
tors. eta vs tors. theta energy: -23.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -939.579348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.579348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.579348 (E_RNA)
where:
Base-Base interactions energy: -646.997
where: short stacking energy: -278.840
Base-Backbone interact. energy: 0.690
local terms energy: -293.272796
where:
bonds (distance) C4'-P energy: -49.371
bonds (distance) P-C4' energy: -58.302
flat angles C4'-P-C4' energy: -61.254
flat angles P-C4'-P energy: -43.147
tors. eta vs tors. theta energy: -81.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -938.354282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.354282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.354282 (E_RNA)
where:
Base-Base interactions energy: -654.266
where: short stacking energy: -286.034
Base-Backbone interact. energy: -0.784
local terms energy: -283.304939
where:
bonds (distance) C4'-P energy: -46.981
bonds (distance) P-C4' energy: -56.442
flat angles C4'-P-C4' energy: -53.709
flat angles P-C4'-P energy: -42.108
tors. eta vs tors. theta energy: -84.065
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: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -895.908921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.908921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.908921 (E_RNA)
where:
Base-Base interactions energy: -618.449
where: short stacking energy: -274.816
Base-Backbone interact. energy: -1.118
local terms energy: -276.342488
where:
bonds (distance) C4'-P energy: -54.946
bonds (distance) P-C4' energy: -46.675
flat angles C4'-P-C4' energy: -55.760
flat angles P-C4'-P energy: -38.764
tors. eta vs tors. theta energy: -80.197
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: 7
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -852.873638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.873638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.873638 (E_RNA)
where:
Base-Base interactions energy: -589.946
where: short stacking energy: -256.224
Base-Backbone interact. energy: -1.058
local terms energy: -261.869379
where:
bonds (distance) C4'-P energy: -54.257
bonds (distance) P-C4' energy: -36.052
flat angles C4'-P-C4' energy: -60.575
flat angles P-C4'-P energy: -35.050
tors. eta vs tors. theta energy: -75.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -862.324914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.324914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.324914 (E_RNA)
where:
Base-Base interactions energy: -604.727
where: short stacking energy: -252.431
Base-Backbone interact. energy: 0.545
local terms energy: -258.143487
where:
bonds (distance) C4'-P energy: -32.594
bonds (distance) P-C4' energy: -57.125
flat angles C4'-P-C4' energy: -51.873
flat angles P-C4'-P energy: -40.982
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: 6, replica: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -766.816936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.816936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.816936 (E_RNA)
where:
Base-Base interactions energy: -520.659
where: short stacking energy: -229.977
Base-Backbone interact. energy: 0.849
local terms energy: -247.007646
where:
bonds (distance) C4'-P energy: -44.955
bonds (distance) P-C4' energy: -44.082
flat angles C4'-P-C4' energy: -52.378
flat angles P-C4'-P energy: -36.723
tors. eta vs tors. theta energy: -68.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -739.496184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.496184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.496184 (E_RNA)
where:
Base-Base interactions energy: -509.273
where: short stacking energy: -220.302
Base-Backbone interact. energy: 0.148
local terms energy: -230.371971
where:
bonds (distance) C4'-P energy: -42.359
bonds (distance) P-C4' energy: -47.450
flat angles C4'-P-C4' energy: -52.860
flat angles P-C4'-P energy: -28.169
tors. eta vs tors. theta energy: -59.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -671.279892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.279892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.279892 (E_RNA)
where:
Base-Base interactions energy: -459.680
where: short stacking energy: -206.021
Base-Backbone interact. energy: -0.932
local terms energy: -210.668619
where:
bonds (distance) C4'-P energy: -40.133
bonds (distance) P-C4' energy: -38.785
flat angles C4'-P-C4' energy: -49.146
flat angles P-C4'-P energy: -24.975
tors. eta vs tors. theta energy: -57.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -592.301849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.301849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.301849 (E_RNA)
where:
Base-Base interactions energy: -401.060
where: short stacking energy: -178.853
Base-Backbone interact. energy: 0.178
local terms energy: -191.420222
where:
bonds (distance) C4'-P energy: -29.846
bonds (distance) P-C4' energy: -36.646
flat angles C4'-P-C4' energy: -57.267
flat angles P-C4'-P energy: -26.613
tors. eta vs tors. theta energy: -41.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -441.022459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.022459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.022459 (E_RNA)
where:
Base-Base interactions energy: -254.846
where: short stacking energy: -118.888
Base-Backbone interact. energy: 0.756
local terms energy: -186.931649
where:
bonds (distance) C4'-P energy: -48.584
bonds (distance) P-C4' energy: -46.424
flat angles C4'-P-C4' energy: -45.116
flat angles P-C4'-P energy: -27.123
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -959.030036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.030036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.030036 (E_RNA)
where:
Base-Base interactions energy: -647.802
where: short stacking energy: -286.833
Base-Backbone interact. energy: -1.472
local terms energy: -309.756321
where:
bonds (distance) C4'-P energy: -51.780
bonds (distance) P-C4' energy: -60.693
flat angles C4'-P-C4' energy: -62.648
flat angles P-C4'-P energy: -47.489
tors. eta vs tors. theta energy: -87.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -934.360538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.360538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.360538 (E_RNA)
where:
Base-Base interactions energy: -644.929
where: short stacking energy: -276.759
Base-Backbone interact. energy: -1.348
local terms energy: -288.083443
where:
bonds (distance) C4'-P energy: -46.367
bonds (distance) P-C4' energy: -57.425
flat angles C4'-P-C4' energy: -60.531
flat angles P-C4'-P energy: -35.049
tors. eta vs tors. theta energy: -88.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -920.663490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.663490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.663490 (E_RNA)
where:
Base-Base interactions energy: -650.425
where: short stacking energy: -280.429
Base-Backbone interact. energy: -0.955
local terms energy: -269.284323
where:
bonds (distance) C4'-P energy: -48.129
bonds (distance) P-C4' energy: -46.696
flat angles C4'-P-C4' energy: -59.143
flat angles P-C4'-P energy: -34.701
tors. eta vs tors. theta energy: -80.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -858.236841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.236841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.236841 (E_RNA)
where:
Base-Base interactions energy: -586.776
where: short stacking energy: -252.984
Base-Backbone interact. energy: -1.708
local terms energy: -269.752451
where:
bonds (distance) C4'-P energy: -41.990
bonds (distance) P-C4' energy: -55.675
flat angles C4'-P-C4' energy: -55.422
flat angles P-C4'-P energy: -36.943
tors. eta vs tors. theta energy: -79.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -881.243695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.243695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.243695 (E_RNA)
where:
Base-Base interactions energy: -606.420
where: short stacking energy: -270.547
Base-Backbone interact. energy: -1.365
local terms energy: -273.458835
where:
bonds (distance) C4'-P energy: -46.782
bonds (distance) P-C4' energy: -43.993
flat angles C4'-P-C4' energy: -59.785
flat angles P-C4'-P energy: -42.712
tors. eta vs tors. theta energy: -80.186
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: 6, replica: 4
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -756.897383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.897383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.897383 (E_RNA)
where:
Base-Base interactions energy: -517.935
where: short stacking energy: -220.384
Base-Backbone interact. energy: -0.411
local terms energy: -238.551460
where:
bonds (distance) C4'-P energy: -51.040
bonds (distance) P-C4' energy: -44.149
flat angles C4'-P-C4' energy: -55.230
flat angles P-C4'-P energy: -29.593
tors. eta vs tors. theta energy: -58.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -755.599789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.599789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.599789 (E_RNA)
where:
Base-Base interactions energy: -518.485
where: short stacking energy: -232.567
Base-Backbone interact. energy: 0.009
local terms energy: -237.124161
where:
bonds (distance) C4'-P energy: -41.234
bonds (distance) P-C4' energy: -46.476
flat angles C4'-P-C4' energy: -48.196
flat angles P-C4'-P energy: -38.160
tors. eta vs tors. theta energy: -63.059
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: 5
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -719.029342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.029342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.029342 (E_RNA)
where:
Base-Base interactions energy: -476.722
where: short stacking energy: -208.234
Base-Backbone interact. energy: 0.928
local terms energy: -243.235878
where:
bonds (distance) C4'-P energy: -51.707
bonds (distance) P-C4' energy: -49.221
flat angles C4'-P-C4' energy: -47.770
flat angles P-C4'-P energy: -32.649
tors. eta vs tors. theta energy: -61.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -604.459732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.459732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.459732 (E_RNA)
where:
Base-Base interactions energy: -405.697
where: short stacking energy: -171.734
Base-Backbone interact. energy: 0.367
local terms energy: -199.129727
where:
bonds (distance) C4'-P energy: -34.661
bonds (distance) P-C4' energy: -46.099
flat angles C4'-P-C4' energy: -40.076
flat angles P-C4'-P energy: -30.853
tors. eta vs tors. theta energy: -47.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -425.351521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.351521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.351521 (E_RNA)
where:
Base-Base interactions energy: -255.128
where: short stacking energy: -130.075
Base-Backbone interact. energy: 2.034
local terms energy: -172.257660
where:
bonds (distance) C4'-P energy: -32.407
bonds (distance) P-C4' energy: -57.245
flat angles C4'-P-C4' energy: -45.015
flat angles P-C4'-P energy: -19.978
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -948.657314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.657314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.657314 (E_RNA)
where:
Base-Base interactions energy: -663.771
where: short stacking energy: -289.996
Base-Backbone interact. energy: -1.004
local terms energy: -283.882522
where:
bonds (distance) C4'-P energy: -49.494
bonds (distance) P-C4' energy: -51.052
flat angles C4'-P-C4' energy: -62.006
flat angles P-C4'-P energy: -38.735
tors. eta vs tors. theta energy: -82.596
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: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -935.591540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.591540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.591540 (E_RNA)
where:
Base-Base interactions energy: -659.018
where: short stacking energy: -293.436
Base-Backbone interact. energy: 0.952
local terms energy: -277.525327
where:
bonds (distance) C4'-P energy: -46.249
bonds (distance) P-C4' energy: -46.979
flat angles C4'-P-C4' energy: -61.065
flat angles P-C4'-P energy: -38.961
tors. eta vs tors. theta energy: -84.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -917.626307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.626307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.626307 (E_RNA)
where:
Base-Base interactions energy: -626.581
where: short stacking energy: -282.986
Base-Backbone interact. energy: -1.726
local terms energy: -289.320039
where:
bonds (distance) C4'-P energy: -50.847
bonds (distance) P-C4' energy: -56.619
flat angles C4'-P-C4' energy: -55.900
flat angles P-C4'-P energy: -38.734
tors. eta vs tors. theta energy: -87.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -901.249816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.249816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.249816 (E_RNA)
where:
Base-Base interactions energy: -616.223
where: short stacking energy: -269.092
Base-Backbone interact. energy: -0.793
local terms energy: -284.233154
where:
bonds (distance) C4'-P energy: -51.079
bonds (distance) P-C4' energy: -51.987
flat angles C4'-P-C4' energy: -57.340
flat angles P-C4'-P energy: -39.219
tors. eta vs tors. theta energy: -84.608
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: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -827.715004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.715004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.715004 (E_RNA)
where:
Base-Base interactions energy: -566.552
where: short stacking energy: -235.406
Base-Backbone interact. energy: -0.346
local terms energy: -260.817235
where:
bonds (distance) C4'-P energy: -49.725
bonds (distance) P-C4' energy: -50.544
flat angles C4'-P-C4' energy: -59.191
flat angles P-C4'-P energy: -38.502
tors. eta vs tors. theta energy: -62.856
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: 4
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -739.520359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.520359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.520359 (E_RNA)
where:
Base-Base interactions energy: -502.872
where: short stacking energy: -224.807
Base-Backbone interact. energy: -0.190
local terms energy: -236.458466
where:
bonds (distance) C4'-P energy: -35.454
bonds (distance) P-C4' energy: -50.338
flat angles C4'-P-C4' energy: -55.394
flat angles P-C4'-P energy: -32.275
tors. eta vs tors. theta energy: -62.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -741.547492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.547492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.547492 (E_RNA)
where:
Base-Base interactions energy: -504.746
where: short stacking energy: -224.999
Base-Backbone interact. energy: 2.329
local terms energy: -239.130583
where:
bonds (distance) C4'-P energy: -45.627
bonds (distance) P-C4' energy: -44.706
flat angles C4'-P-C4' energy: -49.216
flat angles P-C4'-P energy: -38.901
tors. eta vs tors. theta energy: -60.681
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: 5
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -703.483235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.483235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.483235 (E_RNA)
where:
Base-Base interactions energy: -477.891
where: short stacking energy: -199.263
Base-Backbone interact. energy: 0.825
local terms energy: -226.417101
where:
bonds (distance) C4'-P energy: -53.839
bonds (distance) P-C4' energy: -43.431
flat angles C4'-P-C4' energy: -43.779
flat angles P-C4'-P energy: -27.252
tors. eta vs tors. theta energy: -58.116
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: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -588.364539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.364539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.364539 (E_RNA)
where:
Base-Base interactions energy: -401.090
where: short stacking energy: -165.406
Base-Backbone interact. energy: 2.429
local terms energy: -189.703544
where:
bonds (distance) C4'-P energy: -38.564
bonds (distance) P-C4' energy: -42.404
flat angles C4'-P-C4' energy: -51.961
flat angles P-C4'-P energy: -24.915
tors. eta vs tors. theta energy: -31.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -445.841211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.841211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.841211 (E_RNA)
where:
Base-Base interactions energy: -266.962
where: short stacking energy: -136.990
Base-Backbone interact. energy: 4.078
local terms energy: -182.956969
where:
bonds (distance) C4'-P energy: -38.631
bonds (distance) P-C4' energy: -35.922
flat angles C4'-P-C4' energy: -47.518
flat angles P-C4'-P energy: -30.674
tors. eta vs tors. theta energy: -30.212
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: 38
Temperature: 0.900000
Total energy: -974.225249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.225249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.225249 (E_RNA)
where:
Base-Base interactions energy: -664.050
where: short stacking energy: -284.156
Base-Backbone interact. energy: -1.248
local terms energy: -308.926978
where:
bonds (distance) C4'-P energy: -58.156
bonds (distance) P-C4' energy: -59.215
flat angles C4'-P-C4' energy: -55.965
flat angles P-C4'-P energy: -45.362
tors. eta vs tors. theta energy: -90.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -929.781394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.781394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.781394 (E_RNA)
where:
Base-Base interactions energy: -653.790
where: short stacking energy: -293.155
Base-Backbone interact. energy: 0.095
local terms energy: -276.086186
where:
bonds (distance) C4'-P energy: -52.181
bonds (distance) P-C4' energy: -45.665
flat angles C4'-P-C4' energy: -61.036
flat angles P-C4'-P energy: -37.400
tors. eta vs tors. theta energy: -79.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -911.337685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.337685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.337685 (E_RNA)
where:
Base-Base interactions energy: -645.737
where: short stacking energy: -292.745
Base-Backbone interact. energy: -0.780
local terms energy: -264.820348
where:
bonds (distance) C4'-P energy: -36.608
bonds (distance) P-C4' energy: -40.722
flat angles C4'-P-C4' energy: -53.325
flat angles P-C4'-P energy: -40.676
tors. eta vs tors. theta energy: -93.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -850.522564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.522564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.522564 (E_RNA)
where:
Base-Base interactions energy: -590.270
where: short stacking energy: -250.472
Base-Backbone interact. energy: 2.095
local terms energy: -262.347361
where:
bonds (distance) C4'-P energy: -45.580
bonds (distance) P-C4' energy: -47.161
flat angles C4'-P-C4' energy: -54.491
flat angles P-C4'-P energy: -44.117
tors. eta vs tors. theta energy: -70.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -850.806972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.806972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.806972 (E_RNA)
where:
Base-Base interactions energy: -581.389
where: short stacking energy: -246.958
Base-Backbone interact. energy: -0.413
local terms energy: -269.005737
where:
bonds (distance) C4'-P energy: -46.467
bonds (distance) P-C4' energy: -53.867
flat angles C4'-P-C4' energy: -58.809
flat angles P-C4'-P energy: -39.865
tors. eta vs tors. theta energy: -69.996
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: 6, replica: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -770.476760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.476760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.476760 (E_RNA)
where:
Base-Base interactions energy: -515.137
where: short stacking energy: -229.567
Base-Backbone interact. energy: 0.913
local terms energy: -256.252626
where:
bonds (distance) C4'-P energy: -50.477
bonds (distance) P-C4' energy: -49.616
flat angles C4'-P-C4' energy: -53.986
flat angles P-C4'-P energy: -36.937
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: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -754.570327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.570327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.570327 (E_RNA)
where:
Base-Base interactions energy: -533.489
where: short stacking energy: -229.916
Base-Backbone interact. energy: -1.519
local terms energy: -219.562079
where:
bonds (distance) C4'-P energy: -42.109
bonds (distance) P-C4' energy: -35.238
flat angles C4'-P-C4' energy: -48.565
flat angles P-C4'-P energy: -33.794
tors. eta vs tors. theta energy: -59.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -733.028426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.028426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.028426 (E_RNA)
where:
Base-Base interactions energy: -484.078
where: short stacking energy: -203.728
Base-Backbone interact. energy: -1.938
local terms energy: -247.013301
where:
bonds (distance) C4'-P energy: -44.624
bonds (distance) P-C4' energy: -50.365
flat angles C4'-P-C4' energy: -52.195
flat angles P-C4'-P energy: -35.938
tors. eta vs tors. theta energy: -63.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -648.999854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.999854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.999854 (E_RNA)
where:
Base-Base interactions energy: -427.349
where: short stacking energy: -168.340
Base-Backbone interact. energy: -1.668
local terms energy: -219.982900
where:
bonds (distance) C4'-P energy: -49.902
bonds (distance) P-C4' energy: -44.339
flat angles C4'-P-C4' energy: -49.924
flat angles P-C4'-P energy: -20.832
tors. eta vs tors. theta energy: -54.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -416.610713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.610713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.610713 (E_RNA)
where:
Base-Base interactions energy: -249.855
where: short stacking energy: -121.752
Base-Backbone interact. energy: -1.810
local terms energy: -164.945889
where:
bonds (distance) C4'-P energy: -31.023
bonds (distance) P-C4' energy: -49.503
flat angles C4'-P-C4' energy: -47.330
flat angles P-C4'-P energy: -18.150
tors. eta vs tors. theta energy: -18.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -969.372292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.372292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.372292 (E_RNA)
where:
Base-Base interactions energy: -662.135
where: short stacking energy: -283.607
Base-Backbone interact. energy: -2.246
local terms energy: -304.991743
where:
bonds (distance) C4'-P energy: -51.808
bonds (distance) P-C4' energy: -54.337
flat angles C4'-P-C4' energy: -65.233
flat angles P-C4'-P energy: -46.433
tors. eta vs tors. theta energy: -87.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -937.754703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.754703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.754703 (E_RNA)
where:
Base-Base interactions energy: -638.266
where: short stacking energy: -284.714
Base-Backbone interact. energy: -1.194
local terms energy: -298.294503
where:
bonds (distance) C4'-P energy: -52.546
bonds (distance) P-C4' energy: -53.720
flat angles C4'-P-C4' energy: -61.098
flat angles P-C4'-P energy: -43.637
tors. eta vs tors. theta energy: -87.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -895.387066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.387066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.387066 (E_RNA)
where:
Base-Base interactions energy: -616.243
where: short stacking energy: -262.143
Base-Backbone interact. energy: -0.817
local terms energy: -278.326469
where:
bonds (distance) C4'-P energy: -51.599
bonds (distance) P-C4' energy: -54.584
flat angles C4'-P-C4' energy: -55.577
flat angles P-C4'-P energy: -40.428
tors. eta vs tors. theta energy: -76.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -835.973467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.973467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.973467 (E_RNA)
where:
Base-Base interactions energy: -574.397
where: short stacking energy: -241.021
Base-Backbone interact. energy: 0.041
local terms energy: -261.618308
where:
bonds (distance) C4'-P energy: -42.560
bonds (distance) P-C4' energy: -50.734
flat angles C4'-P-C4' energy: -59.246
flat angles P-C4'-P energy: -39.112
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: 5, replica: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -866.935755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.935755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.935755 (E_RNA)
where:
Base-Base interactions energy: -609.578
where: short stacking energy: -267.609
Base-Backbone interact. energy: -0.112
local terms energy: -257.245454
where:
bonds (distance) C4'-P energy: -50.251
bonds (distance) P-C4' energy: -47.446
flat angles C4'-P-C4' energy: -53.562
flat angles P-C4'-P energy: -30.772
tors. eta vs tors. theta energy: -75.215
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: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -809.601143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.601143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.601143 (E_RNA)
where:
Base-Base interactions energy: -544.079
where: short stacking energy: -228.431
Base-Backbone interact. energy: -1.439
local terms energy: -264.083132
where:
bonds (distance) C4'-P energy: -51.561
bonds (distance) P-C4' energy: -42.872
flat angles C4'-P-C4' energy: -62.555
flat angles P-C4'-P energy: -37.151
tors. eta vs tors. theta energy: -69.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -721.946245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.946245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.946245 (E_RNA)
where:
Base-Base interactions energy: -487.081
where: short stacking energy: -202.688
Base-Backbone interact. energy: -0.788
local terms energy: -234.076632
where:
bonds (distance) C4'-P energy: -52.530
bonds (distance) P-C4' energy: -42.156
flat angles C4'-P-C4' energy: -51.471
flat angles P-C4'-P energy: -39.178
tors. eta vs tors. theta energy: -48.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -742.830115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.830115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.830115 (E_RNA)
where:
Base-Base interactions energy: -504.090
where: short stacking energy: -215.483
Base-Backbone interact. energy: 2.025
local terms energy: -240.765213
where:
bonds (distance) C4'-P energy: -51.036
bonds (distance) P-C4' energy: -49.212
flat angles C4'-P-C4' energy: -50.046
flat angles P-C4'-P energy: -30.435
tors. eta vs tors. theta energy: -60.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -651.752162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.752162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.752162 (E_RNA)
where:
Base-Base interactions energy: -438.708
where: short stacking energy: -194.348
Base-Backbone interact. energy: 1.415
local terms energy: -214.459768
where:
bonds (distance) C4'-P energy: -43.643
bonds (distance) P-C4' energy: -41.781
flat angles C4'-P-C4' energy: -38.571
flat angles P-C4'-P energy: -36.083
tors. eta vs tors. theta energy: -54.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -390.940543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.940543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.940543 (E_RNA)
where:
Base-Base interactions energy: -222.057
where: short stacking energy: -110.398
Base-Backbone interact. energy: -0.081
local terms energy: -168.802997
where:
bonds (distance) C4'-P energy: -47.256
bonds (distance) P-C4' energy: -37.795
flat angles C4'-P-C4' energy: -45.173
flat angles P-C4'-P energy: -26.888
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: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -938.024003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.024003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.024003 (E_RNA)
where:
Base-Base interactions energy: -648.196
where: short stacking energy: -293.552
Base-Backbone interact. energy: -1.197
local terms energy: -288.631516
where:
bonds (distance) C4'-P energy: -51.451
bonds (distance) P-C4' energy: -53.562
flat angles C4'-P-C4' energy: -53.805
flat angles P-C4'-P energy: -43.800
tors. eta vs tors. theta energy: -86.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -960.066042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.066042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.066042 (E_RNA)
where:
Base-Base interactions energy: -669.077
where: short stacking energy: -282.646
Base-Backbone interact. energy: -0.379
local terms energy: -290.609600
where:
bonds (distance) C4'-P energy: -55.724
bonds (distance) P-C4' energy: -47.915
flat angles C4'-P-C4' energy: -60.085
flat angles P-C4'-P energy: -44.082
tors. eta vs tors. theta energy: -82.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -875.153748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.153748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.153748 (E_RNA)
where:
Base-Base interactions energy: -604.251
where: short stacking energy: -244.135
Base-Backbone interact. energy: -1.277
local terms energy: -269.625813
where:
bonds (distance) C4'-P energy: -51.492
bonds (distance) P-C4' energy: -48.295
flat angles C4'-P-C4' energy: -54.084
flat angles P-C4'-P energy: -42.421
tors. eta vs tors. theta energy: -73.334
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: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -886.605969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.605969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.605969 (E_RNA)
where:
Base-Base interactions energy: -617.512
where: short stacking energy: -269.114
Base-Backbone interact. energy: -1.164
local terms energy: -267.930391
where:
bonds (distance) C4'-P energy: -49.963
bonds (distance) P-C4' energy: -44.532
flat angles C4'-P-C4' energy: -60.686
flat angles P-C4'-P energy: -31.582
tors. eta vs tors. theta energy: -81.167
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: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -837.690832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.690832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.690832 (E_RNA)
where:
Base-Base interactions energy: -579.525
where: short stacking energy: -241.817
Base-Backbone interact. energy: 0.059
local terms energy: -258.224731
where:
bonds (distance) C4'-P energy: -48.914
bonds (distance) P-C4' energy: -53.539
flat angles C4'-P-C4' energy: -58.178
flat angles P-C4'-P energy: -26.523
tors. eta vs tors. theta energy: -71.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -845.158482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.158482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.158482 (E_RNA)
where:
Base-Base interactions energy: -584.075
where: short stacking energy: -249.773
Base-Backbone interact. energy: -1.339
local terms energy: -259.744226
where:
bonds (distance) C4'-P energy: -44.345
bonds (distance) P-C4' energy: -45.390
flat angles C4'-P-C4' energy: -53.031
flat angles P-C4'-P energy: -41.582
tors. eta vs tors. theta energy: -75.396
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: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -757.298314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.298314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.298314 (E_RNA)
where:
Base-Base interactions energy: -521.054
where: short stacking energy: -238.471
Base-Backbone interact. energy: 0.052
local terms energy: -236.296591
where:
bonds (distance) C4'-P energy: -43.274
bonds (distance) P-C4' energy: -47.215
flat angles C4'-P-C4' energy: -53.868
flat angles P-C4'-P energy: -29.118
tors. eta vs tors. theta energy: -62.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -710.669541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.669541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.669541 (E_RNA)
where:
Base-Base interactions energy: -505.080
where: short stacking energy: -209.092
Base-Backbone interact. energy: -0.304
local terms energy: -205.285706
where:
bonds (distance) C4'-P energy: -34.441
bonds (distance) P-C4' energy: -42.556
flat angles C4'-P-C4' energy: -44.539
flat angles P-C4'-P energy: -29.773
tors. eta vs tors. theta energy: -53.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -639.048302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.048302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.048302 (E_RNA)
where:
Base-Base interactions energy: -449.169
where: short stacking energy: -186.678
Base-Backbone interact. energy: -0.606
local terms energy: -189.273445
where:
bonds (distance) C4'-P energy: -36.334
bonds (distance) P-C4' energy: -42.000
flat angles C4'-P-C4' energy: -34.721
flat angles P-C4'-P energy: -27.080
tors. eta vs tors. theta energy: -49.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -347.192527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.192527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.192527 (E_RNA)
where:
Base-Base interactions energy: -188.244
where: short stacking energy: -101.029
Base-Backbone interact. energy: -0.334
local terms energy: -158.614882
where:
bonds (distance) C4'-P energy: -44.988
bonds (distance) P-C4' energy: -40.773
flat angles C4'-P-C4' energy: -32.673
flat angles P-C4'-P energy: -25.488
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -929.762535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.762535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.762535 (E_RNA)
where:
Base-Base interactions energy: -656.654
where: short stacking energy: -279.767
Base-Backbone interact. energy: -1.071
local terms energy: -272.037098
where:
bonds (distance) C4'-P energy: -52.696
bonds (distance) P-C4' energy: -45.765
flat angles C4'-P-C4' energy: -52.411
flat angles P-C4'-P energy: -40.518
tors. eta vs tors. theta energy: -80.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -942.179727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.179727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.179727 (E_RNA)
where:
Base-Base interactions energy: -651.324
where: short stacking energy: -275.993
Base-Backbone interact. energy: -0.741
local terms energy: -290.115509
where:
bonds (distance) C4'-P energy: -52.301
bonds (distance) P-C4' energy: -51.206
flat angles C4'-P-C4' energy: -59.171
flat angles P-C4'-P energy: -43.816
tors. eta vs tors. theta energy: -83.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -870.414981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.414981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.414981 (E_RNA)
where:
Base-Base interactions energy: -597.184
where: short stacking energy: -231.776
Base-Backbone interact. energy: -2.573
local terms energy: -270.658528
where:
bonds (distance) C4'-P energy: -49.509
bonds (distance) P-C4' energy: -54.925
flat angles C4'-P-C4' energy: -57.474
flat angles P-C4'-P energy: -37.976
tors. eta vs tors. theta energy: -70.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -871.989573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.989573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.989573 (E_RNA)
where:
Base-Base interactions energy: -599.846
where: short stacking energy: -270.502
Base-Backbone interact. energy: 0.415
local terms energy: -272.558713
where:
bonds (distance) C4'-P energy: -46.741
bonds (distance) P-C4' energy: -44.843
flat angles C4'-P-C4' energy: -52.887
flat angles P-C4'-P energy: -46.675
tors. eta vs tors. theta energy: -81.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -839.524495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.524495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.524495 (E_RNA)
where:
Base-Base interactions energy: -586.728
where: short stacking energy: -248.255
Base-Backbone interact. energy: -1.338
local terms energy: -251.458446
where:
bonds (distance) C4'-P energy: -45.611
bonds (distance) P-C4' energy: -49.618
flat angles C4'-P-C4' energy: -51.534
flat angles P-C4'-P energy: -33.708
tors. eta vs tors. theta energy: -70.989
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: 6, replica: 6
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -844.581806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.581806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.581806 (E_RNA)
where:
Base-Base interactions energy: -581.069
where: short stacking energy: -245.115
Base-Backbone interact. energy: -0.724
local terms energy: -262.788479
where:
bonds (distance) C4'-P energy: -50.667
bonds (distance) P-C4' energy: -46.459
flat angles C4'-P-C4' energy: -58.040
flat angles P-C4'-P energy: -41.372
tors. eta vs tors. theta energy: -66.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -722.523988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.523988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.523988 (E_RNA)
where:
Base-Base interactions energy: -483.348
where: short stacking energy: -207.333
Base-Backbone interact. energy: -0.230
local terms energy: -238.945968
where:
bonds (distance) C4'-P energy: -47.039
bonds (distance) P-C4' energy: -49.006
flat angles C4'-P-C4' energy: -52.097
flat angles P-C4'-P energy: -32.910
tors. eta vs tors. theta energy: -57.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -713.929933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.929933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.929933 (E_RNA)
where:
Base-Base interactions energy: -492.511
where: short stacking energy: -215.152
Base-Backbone interact. energy: -0.581
local terms energy: -220.838171
where:
bonds (distance) C4'-P energy: -44.170
bonds (distance) P-C4' energy: -39.322
flat angles C4'-P-C4' energy: -44.597
flat angles P-C4'-P energy: -30.363
tors. eta vs tors. theta energy: -62.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -617.986261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.986261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.986261 (E_RNA)
where:
Base-Base interactions energy: -412.213
where: short stacking energy: -180.030
Base-Backbone interact. energy: 3.006
local terms energy: -208.778993
where:
bonds (distance) C4'-P energy: -42.943
bonds (distance) P-C4' energy: -33.168
flat angles C4'-P-C4' energy: -51.493
flat angles P-C4'-P energy: -38.281
tors. eta vs tors. theta energy: -42.895
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: 41
Temperature: 1.350000
Total energy: -360.324883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.324883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.324883 (E_RNA)
where:
Base-Base interactions energy: -185.769
where: short stacking energy: -87.262
Base-Backbone interact. energy: -0.686
local terms energy: -173.870011
where:
bonds (distance) C4'-P energy: -53.599
bonds (distance) P-C4' energy: -45.899
flat angles C4'-P-C4' energy: -40.523
flat angles P-C4'-P energy: -33.837
tors. eta vs tors. theta energy: -0.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -930.237795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.237795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.237795 (E_RNA)
where:
Base-Base interactions energy: -645.079
where: short stacking energy: -278.668
Base-Backbone interact. energy: -1.478
local terms energy: -283.680688
where:
bonds (distance) C4'-P energy: -56.654
bonds (distance) P-C4' energy: -42.715
flat angles C4'-P-C4' energy: -59.437
flat angles P-C4'-P energy: -42.307
tors. eta vs tors. theta energy: -82.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -952.866227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.866227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.866227 (E_RNA)
where:
Base-Base interactions energy: -664.235
where: short stacking energy: -287.321
Base-Backbone interact. energy: 0.130
local terms energy: -288.761602
where:
bonds (distance) C4'-P energy: -59.379
bonds (distance) P-C4' energy: -45.052
flat angles C4'-P-C4' energy: -56.382
flat angles P-C4'-P energy: -43.696
tors. eta vs tors. theta energy: -84.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -885.757548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.757548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.757548 (E_RNA)
where:
Base-Base interactions energy: -607.365
where: short stacking energy: -246.319
Base-Backbone interact. energy: -0.335
local terms energy: -278.058135
where:
bonds (distance) C4'-P energy: -51.152
bonds (distance) P-C4' energy: -52.719
flat angles C4'-P-C4' energy: -52.601
flat angles P-C4'-P energy: -44.436
tors. eta vs tors. theta energy: -77.150
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: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -841.322625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.322625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.322625 (E_RNA)
where:
Base-Base interactions energy: -576.967
where: short stacking energy: -236.805
Base-Backbone interact. energy: -2.101
local terms energy: -262.254554
where:
bonds (distance) C4'-P energy: -55.926
bonds (distance) P-C4' energy: -53.895
flat angles C4'-P-C4' energy: -50.147
flat angles P-C4'-P energy: -27.919
tors. eta vs tors. theta energy: -74.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -846.392723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.392723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.392723 (E_RNA)
where:
Base-Base interactions energy: -583.853
where: short stacking energy: -257.889
Base-Backbone interact. energy: -1.202
local terms energy: -261.337448
where:
bonds (distance) C4'-P energy: -51.968
bonds (distance) P-C4' energy: -36.157
flat angles C4'-P-C4' energy: -57.047
flat angles P-C4'-P energy: -39.553
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: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -850.126279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.126279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.126279 (E_RNA)
where:
Base-Base interactions energy: -593.011
where: short stacking energy: -244.917
Base-Backbone interact. energy: -1.590
local terms energy: -255.524666
where:
bonds (distance) C4'-P energy: -48.866
bonds (distance) P-C4' energy: -38.615
flat angles C4'-P-C4' energy: -50.182
flat angles P-C4'-P energy: -45.538
tors. eta vs tors. theta energy: -72.324
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: 4
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -713.172691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.172691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.172691 (E_RNA)
where:
Base-Base interactions energy: -491.079
where: short stacking energy: -205.336
Base-Backbone interact. energy: -0.809
local terms energy: -221.284613
where:
bonds (distance) C4'-P energy: -47.123
bonds (distance) P-C4' energy: -36.691
flat angles C4'-P-C4' energy: -45.817
flat angles P-C4'-P energy: -33.533
tors. eta vs tors. theta energy: -58.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -708.201142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.201142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.201142 (E_RNA)
where:
Base-Base interactions energy: -486.742
where: short stacking energy: -200.345
Base-Backbone interact. energy: -1.397
local terms energy: -220.062943
where:
bonds (distance) C4'-P energy: -47.896
bonds (distance) P-C4' energy: -44.458
flat angles C4'-P-C4' energy: -45.166
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -57.506
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: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -617.457566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.457566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.457566 (E_RNA)
where:
Base-Base interactions energy: -421.580
where: short stacking energy: -164.537
Base-Backbone interact. energy: -0.890
local terms energy: -194.988075
where:
bonds (distance) C4'-P energy: -33.670
bonds (distance) P-C4' energy: -43.557
flat angles C4'-P-C4' energy: -47.755
flat angles P-C4'-P energy: -32.164
tors. eta vs tors. theta energy: -37.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -344.933182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.933182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.933182 (E_RNA)
where:
Base-Base interactions energy: -193.352
where: short stacking energy: -91.271
Base-Backbone interact. energy: -0.228
local terms energy: -151.353574
where:
bonds (distance) C4'-P energy: -42.681
bonds (distance) P-C4' energy: -42.176
flat angles C4'-P-C4' energy: -30.738
flat angles P-C4'-P energy: -32.216
tors. eta vs tors. theta energy: -3.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -948.279194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.279194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.279194 (E_RNA)
where:
Base-Base interactions energy: -647.918
where: short stacking energy: -294.690
Base-Backbone interact. energy: -1.340
local terms energy: -299.021384
where:
bonds (distance) C4'-P energy: -49.842
bonds (distance) P-C4' energy: -55.725
flat angles C4'-P-C4' energy: -60.895
flat angles P-C4'-P energy: -46.160
tors. eta vs tors. theta energy: -86.399
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: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -943.674669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.674669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.674669 (E_RNA)
where:
Base-Base interactions energy: -653.220
where: short stacking energy: -286.634
Base-Backbone interact. energy: -0.331
local terms energy: -290.123191
where:
bonds (distance) C4'-P energy: -50.605
bonds (distance) P-C4' energy: -51.839
flat angles C4'-P-C4' energy: -55.651
flat angles P-C4'-P energy: -40.965
tors. eta vs tors. theta energy: -91.063
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: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -915.623101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.623101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.623101 (E_RNA)
where:
Base-Base interactions energy: -643.815
where: short stacking energy: -276.471
Base-Backbone interact. energy: 0.632
local terms energy: -272.440181
where:
bonds (distance) C4'-P energy: -45.748
bonds (distance) P-C4' energy: -46.627
flat angles C4'-P-C4' energy: -59.841
flat angles P-C4'-P energy: -40.591
tors. eta vs tors. theta energy: -79.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -862.788493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.788493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.788493 (E_RNA)
where:
Base-Base interactions energy: -583.676
where: short stacking energy: -254.935
Base-Backbone interact. energy: -0.454
local terms energy: -278.658241
where:
bonds (distance) C4'-P energy: -53.658
bonds (distance) P-C4' energy: -49.722
flat angles C4'-P-C4' energy: -55.770
flat angles P-C4'-P energy: -42.813
tors. eta vs tors. theta energy: -76.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -824.528572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.528572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.528572 (E_RNA)
where:
Base-Base interactions energy: -560.643
where: short stacking energy: -235.268
Base-Backbone interact. energy: -1.445
local terms energy: -262.440536
where:
bonds (distance) C4'-P energy: -46.528
bonds (distance) P-C4' energy: -52.896
flat angles C4'-P-C4' energy: -54.878
flat angles P-C4'-P energy: -39.662
tors. eta vs tors. theta energy: -68.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -849.549400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.549400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.549400 (E_RNA)
where:
Base-Base interactions energy: -603.203
where: short stacking energy: -251.973
Base-Backbone interact. energy: -1.367
local terms energy: -244.979208
where:
bonds (distance) C4'-P energy: -44.348
bonds (distance) P-C4' energy: -39.775
flat angles C4'-P-C4' energy: -51.512
flat angles P-C4'-P energy: -37.062
tors. eta vs tors. theta energy: -72.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -744.144267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.144267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.144267 (E_RNA)
where:
Base-Base interactions energy: -510.715
where: short stacking energy: -219.677
Base-Backbone interact. energy: -0.113
local terms energy: -233.315929
where:
bonds (distance) C4'-P energy: -49.590
bonds (distance) P-C4' energy: -43.875
flat angles C4'-P-C4' energy: -48.887
flat angles P-C4'-P energy: -37.844
tors. eta vs tors. theta energy: -53.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -710.204747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.204747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.204747 (E_RNA)
where:
Base-Base interactions energy: -491.539
where: short stacking energy: -204.024
Base-Backbone interact. energy: 0.974
local terms energy: -219.640097
where:
bonds (distance) C4'-P energy: -38.580
bonds (distance) P-C4' energy: -43.990
flat angles C4'-P-C4' energy: -53.635
flat angles P-C4'-P energy: -31.437
tors. eta vs tors. theta energy: -51.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -665.341345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.341345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.341345 (E_RNA)
where:
Base-Base interactions energy: -443.747
where: short stacking energy: -168.354
Base-Backbone interact. energy: -1.781
local terms energy: -219.814098
where:
bonds (distance) C4'-P energy: -36.151
bonds (distance) P-C4' energy: -54.667
flat angles C4'-P-C4' energy: -43.287
flat angles P-C4'-P energy: -37.149
tors. eta vs tors. theta energy: -48.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -375.617231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.617231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.617231 (E_RNA)
where:
Base-Base interactions energy: -224.492
where: short stacking energy: -115.310
Base-Backbone interact. energy: 3.146
local terms energy: -154.270957
where:
bonds (distance) C4'-P energy: -41.839
bonds (distance) P-C4' energy: -39.011
flat angles C4'-P-C4' energy: -31.552
flat angles P-C4'-P energy: -23.486
tors. eta vs tors. theta energy: -18.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -943.372862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.372862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.372862 (E_RNA)
where:
Base-Base interactions energy: -644.500
where: short stacking energy: -280.008
Base-Backbone interact. energy: -1.069
local terms energy: -297.804075
where:
bonds (distance) C4'-P energy: -46.278
bonds (distance) P-C4' energy: -58.788
flat angles C4'-P-C4' energy: -59.142
flat angles P-C4'-P energy: -46.212
tors. eta vs tors. theta energy: -87.384
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: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -928.163495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.163495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.163495 (E_RNA)
where:
Base-Base interactions energy: -632.268
where: short stacking energy: -278.767
Base-Backbone interact. energy: -0.603
local terms energy: -295.292596
where:
bonds (distance) C4'-P energy: -56.535
bonds (distance) P-C4' energy: -54.155
flat angles C4'-P-C4' energy: -56.109
flat angles P-C4'-P energy: -44.683
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: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -915.147843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.147843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.147843 (E_RNA)
where:
Base-Base interactions energy: -640.981
where: short stacking energy: -271.297
Base-Backbone interact. energy: -1.064
local terms energy: -273.102390
where:
bonds (distance) C4'-P energy: -49.683
bonds (distance) P-C4' energy: -46.291
flat angles C4'-P-C4' energy: -55.345
flat angles P-C4'-P energy: -37.685
tors. eta vs tors. theta energy: -84.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -845.899244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.899244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.899244 (E_RNA)
where:
Base-Base interactions energy: -587.926
where: short stacking energy: -249.832
Base-Backbone interact. energy: 0.446
local terms energy: -258.419286
where:
bonds (distance) C4'-P energy: -46.753
bonds (distance) P-C4' energy: -44.316
flat angles C4'-P-C4' energy: -58.177
flat angles P-C4'-P energy: -35.763
tors. eta vs tors. theta energy: -73.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -854.571359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.571359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.571359 (E_RNA)
where:
Base-Base interactions energy: -583.848
where: short stacking energy: -253.159
Base-Backbone interact. energy: -0.991
local terms energy: -269.733215
where:
bonds (distance) C4'-P energy: -60.113
bonds (distance) P-C4' energy: -37.770
flat angles C4'-P-C4' energy: -56.502
flat angles P-C4'-P energy: -42.243
tors. eta vs tors. theta energy: -73.105
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: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -823.291000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.291000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.291000 (E_RNA)
where:
Base-Base interactions energy: -575.054
where: short stacking energy: -251.523
Base-Backbone interact. energy: -1.567
local terms energy: -246.670342
where:
bonds (distance) C4'-P energy: -47.285
bonds (distance) P-C4' energy: -41.263
flat angles C4'-P-C4' energy: -54.295
flat angles P-C4'-P energy: -35.627
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: 7, replica: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -710.223918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.223918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.223918 (E_RNA)
where:
Base-Base interactions energy: -489.382
where: short stacking energy: -207.740
Base-Backbone interact. energy: -0.819
local terms energy: -220.022321
where:
bonds (distance) C4'-P energy: -42.352
bonds (distance) P-C4' energy: -49.083
flat angles C4'-P-C4' energy: -45.167
flat angles P-C4'-P energy: -25.435
tors. eta vs tors. theta energy: -57.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -708.541023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.541023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.541023 (E_RNA)
where:
Base-Base interactions energy: -478.929
where: short stacking energy: -201.331
Base-Backbone interact. energy: -0.642
local terms energy: -228.969981
where:
bonds (distance) C4'-P energy: -50.872
bonds (distance) P-C4' energy: -48.844
flat angles C4'-P-C4' energy: -48.080
flat angles P-C4'-P energy: -29.413
tors. eta vs tors. theta energy: -51.760
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: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -702.718442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.718442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.718442 (E_RNA)
where:
Base-Base interactions energy: -498.370
where: short stacking energy: -203.111
Base-Backbone interact. energy: 0.597
local terms energy: -204.944887
where:
bonds (distance) C4'-P energy: -29.205
bonds (distance) P-C4' energy: -52.063
flat angles C4'-P-C4' energy: -48.288
flat angles P-C4'-P energy: -26.744
tors. eta vs tors. theta energy: -48.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -382.368537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.368537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.368537 (E_RNA)
where:
Base-Base interactions energy: -215.415
where: short stacking energy: -115.176
Base-Backbone interact. energy: -0.665
local terms energy: -166.288167
where:
bonds (distance) C4'-P energy: -42.836
bonds (distance) P-C4' energy: -49.251
flat angles C4'-P-C4' energy: -39.547
flat angles P-C4'-P energy: -19.578
tors. eta vs tors. theta energy: -15.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -970.778167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.778167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.778167 (E_RNA)
where:
Base-Base interactions energy: -657.671
where: short stacking energy: -292.491
Base-Backbone interact. energy: -1.588
local terms energy: -311.518476
where:
bonds (distance) C4'-P energy: -59.388
bonds (distance) P-C4' energy: -55.236
flat angles C4'-P-C4' energy: -62.198
flat angles P-C4'-P energy: -46.671
tors. eta vs tors. theta energy: -88.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -910.565309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.565309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.565309 (E_RNA)
where:
Base-Base interactions energy: -629.417
where: short stacking energy: -275.798
Base-Backbone interact. energy: -1.371
local terms energy: -279.776601
where:
bonds (distance) C4'-P energy: -48.397
bonds (distance) P-C4' energy: -49.983
flat angles C4'-P-C4' energy: -60.132
flat angles P-C4'-P energy: -35.951
tors. eta vs tors. theta energy: -85.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -900.868491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.868491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.868491 (E_RNA)
where:
Base-Base interactions energy: -616.701
where: short stacking energy: -264.616
Base-Backbone interact. energy: -1.142
local terms energy: -283.025165
where:
bonds (distance) C4'-P energy: -51.584
bonds (distance) P-C4' energy: -53.416
flat angles C4'-P-C4' energy: -61.828
flat angles P-C4'-P energy: -40.959
tors. eta vs tors. theta energy: -75.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -877.429920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.429920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.429920 (E_RNA)
where:
Base-Base interactions energy: -599.202
where: short stacking energy: -257.557
Base-Backbone interact. energy: -0.694
local terms energy: -277.534376
where:
bonds (distance) C4'-P energy: -58.869
bonds (distance) P-C4' energy: -51.836
flat angles C4'-P-C4' energy: -54.318
flat angles P-C4'-P energy: -39.423
tors. eta vs tors. theta energy: -73.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -796.162327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.162327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.162327 (E_RNA)
where:
Base-Base interactions energy: -544.722
where: short stacking energy: -239.597
Base-Backbone interact. energy: 0.064
local terms energy: -251.504060
where:
bonds (distance) C4'-P energy: -47.769
bonds (distance) P-C4' energy: -48.345
flat angles C4'-P-C4' energy: -53.738
flat angles P-C4'-P energy: -31.035
tors. eta vs tors. theta energy: -70.617
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: 6, replica: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -808.441850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.441850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.441850 (E_RNA)
where:
Base-Base interactions energy: -553.979
where: short stacking energy: -229.371
Base-Backbone interact. energy: -1.926
local terms energy: -252.536764
where:
bonds (distance) C4'-P energy: -49.185
bonds (distance) P-C4' energy: -42.268
flat angles C4'-P-C4' energy: -57.584
flat angles P-C4'-P energy: -35.852
tors. eta vs tors. theta energy: -67.649
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: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -736.085394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.085394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.085394 (E_RNA)
where:
Base-Base interactions energy: -498.448
where: short stacking energy: -202.661
Base-Backbone interact. energy: -0.072
local terms energy: -237.565340
where:
bonds (distance) C4'-P energy: -43.318
bonds (distance) P-C4' energy: -59.390
flat angles C4'-P-C4' energy: -48.272
flat angles P-C4'-P energy: -30.618
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: 8, replica: 5
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -666.720059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.720059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.720059 (E_RNA)
where:
Base-Base interactions energy: -461.353
where: short stacking energy: -206.774
Base-Backbone interact. energy: -0.944
local terms energy: -204.422212
where:
bonds (distance) C4'-P energy: -42.083
bonds (distance) P-C4' energy: -35.226
flat angles C4'-P-C4' energy: -44.014
flat angles P-C4'-P energy: -35.752
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: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -651.338512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.338512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.338512 (E_RNA)
where:
Base-Base interactions energy: -445.912
where: short stacking energy: -156.948
Base-Backbone interact. energy: -0.390
local terms energy: -205.036288
where:
bonds (distance) C4'-P energy: -44.272
bonds (distance) P-C4' energy: -50.319
flat angles C4'-P-C4' energy: -45.053
flat angles P-C4'-P energy: -21.907
tors. eta vs tors. theta energy: -43.485
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: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -385.089805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.089805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.089805 (E_RNA)
where:
Base-Base interactions energy: -224.480
where: short stacking energy: -100.368
Base-Backbone interact. energy: -0.344
local terms energy: -160.265696
where:
bonds (distance) C4'-P energy: -45.829
bonds (distance) P-C4' energy: -31.728
flat angles C4'-P-C4' energy: -42.824
flat angles P-C4'-P energy: -27.937
tors. eta vs tors. theta energy: -11.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -959.105993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.105993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.105993 (E_RNA)
where:
Base-Base interactions energy: -667.849
where: short stacking energy: -292.941
Base-Backbone interact. energy: -1.544
local terms energy: -289.713073
where:
bonds (distance) C4'-P energy: -49.332
bonds (distance) P-C4' energy: -54.281
flat angles C4'-P-C4' energy: -67.572
flat angles P-C4'-P energy: -34.305
tors. eta vs tors. theta energy: -84.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -937.835162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.835162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.835162 (E_RNA)
where:
Base-Base interactions energy: -650.074
where: short stacking energy: -288.970
Base-Backbone interact. energy: -0.611
local terms energy: -287.150628
where:
bonds (distance) C4'-P energy: -52.247
bonds (distance) P-C4' energy: -51.595
flat angles C4'-P-C4' energy: -53.862
flat angles P-C4'-P energy: -45.587
tors. eta vs tors. theta energy: -83.859
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: 3, replica: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -915.621802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.621802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.621802 (E_RNA)
where:
Base-Base interactions energy: -631.988
where: short stacking energy: -284.219
Base-Backbone interact. energy: 0.411
local terms energy: -284.045213
where:
bonds (distance) C4'-P energy: -51.103
bonds (distance) P-C4' energy: -44.244
flat angles C4'-P-C4' energy: -60.639
flat angles P-C4'-P energy: -40.336
tors. eta vs tors. theta energy: -87.723
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: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -908.678501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.678501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.678501 (E_RNA)
where:
Base-Base interactions energy: -639.636
where: short stacking energy: -282.688
Base-Backbone interact. energy: -0.823
local terms energy: -268.219591
where:
bonds (distance) C4'-P energy: -39.201
bonds (distance) P-C4' energy: -53.716
flat angles C4'-P-C4' energy: -52.656
flat angles P-C4'-P energy: -36.376
tors. eta vs tors. theta energy: -86.270
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: 46
Temperature: 1.100000
Total energy: -769.527141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.527141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.527141 (E_RNA)
where:
Base-Base interactions energy: -543.078
where: short stacking energy: -219.787
Base-Backbone interact. energy: -1.143
local terms energy: -225.305259
where:
bonds (distance) C4'-P energy: -46.455
bonds (distance) P-C4' energy: -46.084
flat angles C4'-P-C4' energy: -51.328
flat angles P-C4'-P energy: -28.640
tors. eta vs tors. theta energy: -52.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -796.341491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.341491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.341491 (E_RNA)
where:
Base-Base interactions energy: -542.107
where: short stacking energy: -228.668
Base-Backbone interact. energy: 0.047
local terms energy: -254.281631
where:
bonds (distance) C4'-P energy: -38.581
bonds (distance) P-C4' energy: -49.512
flat angles C4'-P-C4' energy: -56.086
flat angles P-C4'-P energy: -38.888
tors. eta vs tors. theta energy: -71.215
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: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -751.137047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.137047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.137047 (E_RNA)
where:
Base-Base interactions energy: -516.567
where: short stacking energy: -219.108
Base-Backbone interact. energy: -0.567
local terms energy: -234.003333
where:
bonds (distance) C4'-P energy: -43.564
bonds (distance) P-C4' energy: -52.158
flat angles C4'-P-C4' energy: -47.959
flat angles P-C4'-P energy: -28.580
tors. eta vs tors. theta energy: -61.742
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: 8, replica: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -677.391000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.391000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.391000 (E_RNA)
where:
Base-Base interactions energy: -464.985
where: short stacking energy: -191.323
Base-Backbone interact. energy: -0.368
local terms energy: -212.038422
where:
bonds (distance) C4'-P energy: -38.247
bonds (distance) P-C4' energy: -47.740
flat angles C4'-P-C4' energy: -39.652
flat angles P-C4'-P energy: -35.154
tors. eta vs tors. theta energy: -51.246
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: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -648.350090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.350090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.350090 (E_RNA)
where:
Base-Base interactions energy: -445.830
where: short stacking energy: -182.097
Base-Backbone interact. energy: -0.780
local terms energy: -201.740071
where:
bonds (distance) C4'-P energy: -30.187
bonds (distance) P-C4' energy: -47.399
flat angles C4'-P-C4' energy: -46.697
flat angles P-C4'-P energy: -35.606
tors. eta vs tors. theta energy: -41.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -360.319170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.319170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.319170 (E_RNA)
where:
Base-Base interactions energy: -195.220
where: short stacking energy: -101.284
Base-Backbone interact. energy: 3.635
local terms energy: -168.734008
where:
bonds (distance) C4'-P energy: -41.195
bonds (distance) P-C4' energy: -42.860
flat angles C4'-P-C4' energy: -45.725
flat angles P-C4'-P energy: -23.088
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -952.911558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.911558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.911558 (E_RNA)
where:
Base-Base interactions energy: -665.309
where: short stacking energy: -289.259
Base-Backbone interact. energy: -1.559
local terms energy: -286.043112
where:
bonds (distance) C4'-P energy: -48.317
bonds (distance) P-C4' energy: -50.506
flat angles C4'-P-C4' energy: -60.496
flat angles P-C4'-P energy: -40.405
tors. eta vs tors. theta energy: -86.320
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: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -932.320700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.320700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.320700 (E_RNA)
where:
Base-Base interactions energy: -654.687
where: short stacking energy: -292.570
Base-Backbone interact. energy: -1.045
local terms energy: -276.588904
where:
bonds (distance) C4'-P energy: -47.989
bonds (distance) P-C4' energy: -51.973
flat angles C4'-P-C4' energy: -55.327
flat angles P-C4'-P energy: -40.352
tors. eta vs tors. theta energy: -80.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -922.127301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.127301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.127301 (E_RNA)
where:
Base-Base interactions energy: -633.257
where: short stacking energy: -288.248
Base-Backbone interact. energy: -0.443
local terms energy: -288.428031
where:
bonds (distance) C4'-P energy: -52.136
bonds (distance) P-C4' energy: -42.408
flat angles C4'-P-C4' energy: -62.035
flat angles P-C4'-P energy: -46.972
tors. eta vs tors. theta energy: -84.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -899.766678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.766678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.766678 (E_RNA)
where:
Base-Base interactions energy: -627.672
where: short stacking energy: -268.286
Base-Backbone interact. energy: 0.929
local terms energy: -273.024041
where:
bonds (distance) C4'-P energy: -51.552
bonds (distance) P-C4' energy: -43.406
flat angles C4'-P-C4' energy: -56.730
flat angles P-C4'-P energy: -33.103
tors. eta vs tors. theta energy: -88.232
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: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -794.131362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.131362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.131362 (E_RNA)
where:
Base-Base interactions energy: -552.797
where: short stacking energy: -235.529
Base-Backbone interact. energy: 0.155
local terms energy: -241.489937
where:
bonds (distance) C4'-P energy: -38.281
bonds (distance) P-C4' energy: -49.652
flat angles C4'-P-C4' energy: -56.911
flat angles P-C4'-P energy: -38.089
tors. eta vs tors. theta energy: -58.558
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: 4
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -781.072664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.072664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.072664 (E_RNA)
where:
Base-Base interactions energy: -528.256
where: short stacking energy: -232.994
Base-Backbone interact. energy: -0.714
local terms energy: -252.102750
where:
bonds (distance) C4'-P energy: -40.818
bonds (distance) P-C4' energy: -44.068
flat angles C4'-P-C4' energy: -54.910
flat angles P-C4'-P energy: -42.990
tors. eta vs tors. theta energy: -69.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -760.741073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.741073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.741073 (E_RNA)
where:
Base-Base interactions energy: -514.493
where: short stacking energy: -224.621
Base-Backbone interact. energy: 0.169
local terms energy: -246.417115
where:
bonds (distance) C4'-P energy: -46.435
bonds (distance) P-C4' energy: -52.171
flat angles C4'-P-C4' energy: -48.573
flat angles P-C4'-P energy: -40.998
tors. eta vs tors. theta energy: -58.240
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: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -701.616156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.616156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.616156 (E_RNA)
where:
Base-Base interactions energy: -476.785
where: short stacking energy: -207.983
Base-Backbone interact. energy: 0.261
local terms energy: -225.092113
where:
bonds (distance) C4'-P energy: -40.254
bonds (distance) P-C4' energy: -45.429
flat angles C4'-P-C4' energy: -54.622
flat angles P-C4'-P energy: -34.042
tors. eta vs tors. theta energy: -50.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -648.168572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.168572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.168572 (E_RNA)
where:
Base-Base interactions energy: -456.924
where: short stacking energy: -167.165
Base-Backbone interact. energy: -1.083
local terms energy: -190.161681
where:
bonds (distance) C4'-P energy: -33.063
bonds (distance) P-C4' energy: -47.254
flat angles C4'-P-C4' energy: -35.848
flat angles P-C4'-P energy: -27.919
tors. eta vs tors. theta energy: -46.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -365.371605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.371605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.371605 (E_RNA)
where:
Base-Base interactions energy: -205.600
where: short stacking energy: -93.174
Base-Backbone interact. energy: -1.233
local terms energy: -158.538779
where:
bonds (distance) C4'-P energy: -45.785
bonds (distance) P-C4' energy: -44.974
flat angles C4'-P-C4' energy: -40.005
flat angles P-C4'-P energy: -23.570
tors. eta vs tors. theta energy: -4.205
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: 3
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -961.468935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.468935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.468935 (E_RNA)
where:
Base-Base interactions energy: -659.323
where: short stacking energy: -287.235
Base-Backbone interact. energy: -1.207
local terms energy: -300.939484
where:
bonds (distance) C4'-P energy: -49.170
bonds (distance) P-C4' energy: -57.744
flat angles C4'-P-C4' energy: -65.686
flat angles P-C4'-P energy: -41.422
tors. eta vs tors. theta energy: -86.917
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: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -937.670219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.670219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.670219 (E_RNA)
where:
Base-Base interactions energy: -655.187
where: short stacking energy: -286.671
Base-Backbone interact. energy: -0.811
local terms energy: -281.672867
where:
bonds (distance) C4'-P energy: -48.914
bonds (distance) P-C4' energy: -47.773
flat angles C4'-P-C4' energy: -57.156
flat angles P-C4'-P energy: -35.315
tors. eta vs tors. theta energy: -92.516
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: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -933.061882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.061882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.061882 (E_RNA)
where:
Base-Base interactions energy: -655.322
where: short stacking energy: -286.784
Base-Backbone interact. energy: -0.954
local terms energy: -276.785759
where:
bonds (distance) C4'-P energy: -49.681
bonds (distance) P-C4' energy: -44.443
flat angles C4'-P-C4' energy: -55.703
flat angles P-C4'-P energy: -43.047
tors. eta vs tors. theta energy: -83.911
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: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -867.039420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.039420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.039420 (E_RNA)
where:
Base-Base interactions energy: -601.934
where: short stacking energy: -261.782
Base-Backbone interact. energy: -2.357
local terms energy: -262.748757
where:
bonds (distance) C4'-P energy: -47.588
bonds (distance) P-C4' energy: -49.044
flat angles C4'-P-C4' energy: -59.115
flat angles P-C4'-P energy: -29.983
tors. eta vs tors. theta energy: -77.018
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: 5, replica: 4
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -799.009348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.009348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.009348 (E_RNA)
where:
Base-Base interactions energy: -549.194
where: short stacking energy: -234.407
Base-Backbone interact. energy: -0.397
local terms energy: -249.418962
where:
bonds (distance) C4'-P energy: -48.881
bonds (distance) P-C4' energy: -46.627
flat angles C4'-P-C4' energy: -47.098
flat angles P-C4'-P energy: -41.008
tors. eta vs tors. theta energy: -65.805
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: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -756.203312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.203312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.203312 (E_RNA)
where:
Base-Base interactions energy: -528.152
where: short stacking energy: -216.697
Base-Backbone interact. energy: -0.754
local terms energy: -227.297852
where:
bonds (distance) C4'-P energy: -50.864
bonds (distance) P-C4' energy: -42.539
flat angles C4'-P-C4' energy: -53.167
flat angles P-C4'-P energy: -31.153
tors. eta vs tors. theta energy: -49.574
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: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -721.504397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.504397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.504397 (E_RNA)
where:
Base-Base interactions energy: -508.299
where: short stacking energy: -209.627
Base-Backbone interact. energy: -1.230
local terms energy: -211.975877
where:
bonds (distance) C4'-P energy: -41.577
bonds (distance) P-C4' energy: -42.321
flat angles C4'-P-C4' energy: -48.924
flat angles P-C4'-P energy: -22.414
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: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -702.317788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.317788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.317788 (E_RNA)
where:
Base-Base interactions energy: -498.785
where: short stacking energy: -198.650
Base-Backbone interact. energy: 0.493
local terms energy: -204.025632
where:
bonds (distance) C4'-P energy: -37.605
bonds (distance) P-C4' energy: -45.050
flat angles C4'-P-C4' energy: -39.947
flat angles P-C4'-P energy: -31.258
tors. eta vs tors. theta energy: -50.166
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: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -696.090980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.090980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.090980 (E_RNA)
where:
Base-Base interactions energy: -485.198
where: short stacking energy: -207.196
Base-Backbone interact. energy: -2.019
local terms energy: -208.873785
where:
bonds (distance) C4'-P energy: -36.631
bonds (distance) P-C4' energy: -36.543
flat angles C4'-P-C4' energy: -46.158
flat angles P-C4'-P energy: -34.364
tors. eta vs tors. theta energy: -55.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -372.915037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.915037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.915037 (E_RNA)
where:
Base-Base interactions energy: -204.197
where: short stacking energy: -106.667
Base-Backbone interact. energy: -0.420
local terms energy: -168.297920
where:
bonds (distance) C4'-P energy: -50.104
bonds (distance) P-C4' energy: -46.537
flat angles C4'-P-C4' energy: -42.287
flat angles P-C4'-P energy: -22.672
tors. eta vs tors. theta energy: -6.698
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: 1, replica: 3
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -964.146749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.146749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.146749 (E_RNA)
where:
Base-Base interactions energy: -656.076
where: short stacking energy: -293.322
Base-Backbone interact. energy: -1.032
local terms energy: -307.038630
where:
bonds (distance) C4'-P energy: -54.626
bonds (distance) P-C4' energy: -55.541
flat angles C4'-P-C4' energy: -66.539
flat angles P-C4'-P energy: -39.464
tors. eta vs tors. theta energy: -90.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -940.315527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.315527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.315527 (E_RNA)
where:
Base-Base interactions energy: -644.208
where: short stacking energy: -279.633
Base-Backbone interact. energy: -0.064
local terms energy: -296.043051
where:
bonds (distance) C4'-P energy: -57.367
bonds (distance) P-C4' energy: -53.725
flat angles C4'-P-C4' energy: -59.469
flat angles P-C4'-P energy: -43.381
tors. eta vs tors. theta energy: -82.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -922.338659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.338659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.338659 (E_RNA)
where:
Base-Base interactions energy: -653.327
where: short stacking energy: -286.139
Base-Backbone interact. energy: -1.286
local terms energy: -267.725710
where:
bonds (distance) C4'-P energy: -45.782
bonds (distance) P-C4' energy: -52.967
flat angles C4'-P-C4' energy: -54.600
flat angles P-C4'-P energy: -32.237
tors. eta vs tors. theta energy: -82.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -862.808555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.808555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.808555 (E_RNA)
where:
Base-Base interactions energy: -585.426
where: short stacking energy: -261.115
Base-Backbone interact. energy: -0.290
local terms energy: -277.092501
where:
bonds (distance) C4'-P energy: -54.108
bonds (distance) P-C4' energy: -49.978
flat angles C4'-P-C4' energy: -55.824
flat angles P-C4'-P energy: -37.028
tors. eta vs tors. theta energy: -80.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -858.634962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.634962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.634962 (E_RNA)
where:
Base-Base interactions energy: -589.617
where: short stacking energy: -255.029
Base-Backbone interact. energy: -1.015
local terms energy: -268.003604
where:
bonds (distance) C4'-P energy: -45.577
bonds (distance) P-C4' energy: -45.686
flat angles C4'-P-C4' energy: -63.735
flat angles P-C4'-P energy: -36.486
tors. eta vs tors. theta energy: -76.520
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: 49
Temperature: 1.150000
Total energy: -776.705718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.705718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.705718 (E_RNA)
where:
Base-Base interactions energy: -547.651
where: short stacking energy: -231.584
Base-Backbone interact. energy: -2.571
local terms energy: -226.483542
where:
bonds (distance) C4'-P energy: -44.032
bonds (distance) P-C4' energy: -38.978
flat angles C4'-P-C4' energy: -59.415
flat angles P-C4'-P energy: -28.531
tors. eta vs tors. theta energy: -55.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -708.134625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.134625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.134625 (E_RNA)
where:
Base-Base interactions energy: -471.894
where: short stacking energy: -190.594
Base-Backbone interact. energy: -0.227
local terms energy: -236.014347
where:
bonds (distance) C4'-P energy: -52.658
bonds (distance) P-C4' energy: -47.327
flat angles C4'-P-C4' energy: -51.399
flat angles P-C4'-P energy: -27.646
tors. eta vs tors. theta energy: -56.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -694.880994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.880994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.880994 (E_RNA)
where:
Base-Base interactions energy: -469.440
where: short stacking energy: -193.490
Base-Backbone interact. energy: -0.210
local terms energy: -225.231112
where:
bonds (distance) C4'-P energy: -43.616
bonds (distance) P-C4' energy: -47.435
flat angles C4'-P-C4' energy: -47.804
flat angles P-C4'-P energy: -32.657
tors. eta vs tors. theta energy: -53.720
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: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -703.890597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.890597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.890597 (E_RNA)
where:
Base-Base interactions energy: -474.633
where: short stacking energy: -190.908
Base-Backbone interact. energy: -1.101
local terms energy: -228.156741
where:
bonds (distance) C4'-P energy: -30.236
bonds (distance) P-C4' energy: -45.845
flat angles C4'-P-C4' energy: -50.738
flat angles P-C4'-P energy: -38.412
tors. eta vs tors. theta energy: -62.926
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: 49
Temperature: 1.350000
Total energy: -350.363821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.363821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.363821 (E_RNA)
where:
Base-Base interactions energy: -193.456
where: short stacking energy: -104.353
Base-Backbone interact. energy: 0.933
local terms energy: -157.840957
where:
bonds (distance) C4'-P energy: -43.703
bonds (distance) P-C4' energy: -47.401
flat angles C4'-P-C4' energy: -37.848
flat angles P-C4'-P energy: -19.866
tors. eta vs tors. theta energy: -9.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -951.841628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.841628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.841628 (E_RNA)
where:
Base-Base interactions energy: -664.177
where: short stacking energy: -291.192
Base-Backbone interact. energy: -1.607
local terms energy: -286.057445
where:
bonds (distance) C4'-P energy: -48.282
bonds (distance) P-C4' energy: -52.152
flat angles C4'-P-C4' energy: -59.708
flat angles P-C4'-P energy: -37.370
tors. eta vs tors. theta energy: -88.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -947.921842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.921842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.921842 (E_RNA)
where:
Base-Base interactions energy: -645.113
where: short stacking energy: -286.050
Base-Backbone interact. energy: -1.101
local terms energy: -301.707964
where:
bonds (distance) C4'-P energy: -50.336
bonds (distance) P-C4' energy: -57.728
flat angles C4'-P-C4' energy: -54.966
flat angles P-C4'-P energy: -45.763
tors. eta vs tors. theta energy: -92.914
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: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -922.642842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.642842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.642842 (E_RNA)
where:
Base-Base interactions energy: -646.551
where: short stacking energy: -256.503
Base-Backbone interact. energy: -2.401
local terms energy: -273.691219
where:
bonds (distance) C4'-P energy: -46.292
bonds (distance) P-C4' energy: -51.534
flat angles C4'-P-C4' energy: -58.888
flat angles P-C4'-P energy: -39.042
tors. eta vs tors. theta energy: -77.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -807.796854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.796854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.796854 (E_RNA)
where:
Base-Base interactions energy: -545.142
where: short stacking energy: -237.644
Base-Backbone interact. energy: 0.058
local terms energy: -262.713111
where:
bonds (distance) C4'-P energy: -47.072
bonds (distance) P-C4' energy: -48.421
flat angles C4'-P-C4' energy: -53.176
flat angles P-C4'-P energy: -40.927
tors. eta vs tors. theta energy: -73.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -873.896374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.896374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.896374 (E_RNA)
where:
Base-Base interactions energy: -619.340
where: short stacking energy: -271.893
Base-Backbone interact. energy: -1.551
local terms energy: -253.005303
where:
bonds (distance) C4'-P energy: -42.279
bonds (distance) P-C4' energy: -40.179
flat angles C4'-P-C4' energy: -54.293
flat angles P-C4'-P energy: -33.779
tors. eta vs tors. theta energy: -82.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -771.902348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.902348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.902348 (E_RNA)
where:
Base-Base interactions energy: -528.431
where: short stacking energy: -218.605
Base-Backbone interact. energy: -1.217
local terms energy: -242.255224
where:
bonds (distance) C4'-P energy: -46.550
bonds (distance) P-C4' energy: -47.839
flat angles C4'-P-C4' energy: -55.069
flat angles P-C4'-P energy: -32.438
tors. eta vs tors. theta energy: -60.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -746.551629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.551629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.551629 (E_RNA)
where:
Base-Base interactions energy: -508.022
where: short stacking energy: -213.757
Base-Backbone interact. energy: -0.663
local terms energy: -237.866564
where:
bonds (distance) C4'-P energy: -43.370
bonds (distance) P-C4' energy: -39.562
flat angles C4'-P-C4' energy: -53.549
flat angles P-C4'-P energy: -40.855
tors. eta vs tors. theta energy: -60.531
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: 5
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -722.600143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.600143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.600143 (E_RNA)
where:
Base-Base interactions energy: -488.256
where: short stacking energy: -195.722
Base-Backbone interact. energy: -0.459
local terms energy: -233.885004
where:
bonds (distance) C4'-P energy: -49.095
bonds (distance) P-C4' energy: -47.580
flat angles C4'-P-C4' energy: -53.062
flat angles P-C4'-P energy: -31.104
tors. eta vs tors. theta energy: -53.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -693.518724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.518724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.518724 (E_RNA)
where:
Base-Base interactions energy: -462.961
where: short stacking energy: -202.143
Base-Backbone interact. energy: 0.917
local terms energy: -231.474661
where:
bonds (distance) C4'-P energy: -40.929
bonds (distance) P-C4' energy: -51.594
flat angles C4'-P-C4' energy: -47.178
flat angles P-C4'-P energy: -39.342
tors. eta vs tors. theta energy: -52.431
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: 50
Temperature: 1.350000
Total energy: -343.455377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.455377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.455377 (E_RNA)
where:
Base-Base interactions energy: -185.030
where: short stacking energy: -104.058
Base-Backbone interact. energy: -0.435
local terms energy: -157.990730
where:
bonds (distance) C4'-P energy: -45.896
bonds (distance) P-C4' energy: -39.741
flat angles C4'-P-C4' energy: -30.687
flat angles P-C4'-P energy: -23.628
tors. eta vs tors. theta energy: -18.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -953.519097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.519097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.519097 (E_RNA)
where:
Base-Base interactions energy: -662.878
where: short stacking energy: -295.450
Base-Backbone interact. energy: -0.298
local terms energy: -290.342502
where:
bonds (distance) C4'-P energy: -48.001
bonds (distance) P-C4' energy: -51.536
flat angles C4'-P-C4' energy: -57.974
flat angles P-C4'-P energy: -46.121
tors. eta vs tors. theta energy: -86.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -944.078524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.078524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.078524 (E_RNA)
where:
Base-Base interactions energy: -646.924
where: short stacking energy: -289.258
Base-Backbone interact. energy: -0.681
local terms energy: -296.473581
where:
bonds (distance) C4'-P energy: -55.218
bonds (distance) P-C4' energy: -48.398
flat angles C4'-P-C4' energy: -59.240
flat angles P-C4'-P energy: -43.731
tors. eta vs tors. theta energy: -89.887
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: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -908.731074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.731074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.731074 (E_RNA)
where:
Base-Base interactions energy: -626.007
where: short stacking energy: -273.165
Base-Backbone interact. energy: -0.697
local terms energy: -282.027247
where:
bonds (distance) C4'-P energy: -54.622
bonds (distance) P-C4' energy: -55.522
flat angles C4'-P-C4' energy: -52.681
flat angles P-C4'-P energy: -36.446
tors. eta vs tors. theta energy: -82.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -887.562680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.562680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.562680 (E_RNA)
where:
Base-Base interactions energy: -609.215
where: short stacking energy: -265.934
Base-Backbone interact. energy: -0.262
local terms energy: -278.085600
where:
bonds (distance) C4'-P energy: -45.624
bonds (distance) P-C4' energy: -54.566
flat angles C4'-P-C4' energy: -56.102
flat angles P-C4'-P energy: -41.337
tors. eta vs tors. theta energy: -80.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -783.007536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.007536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.007536 (E_RNA)
where:
Base-Base interactions energy: -531.422
where: short stacking energy: -244.823
Base-Backbone interact. energy: -1.515
local terms energy: -250.069637
where:
bonds (distance) C4'-P energy: -38.475
bonds (distance) P-C4' energy: -58.502
flat angles C4'-P-C4' energy: -57.089
flat angles P-C4'-P energy: -29.791
tors. eta vs tors. theta energy: -66.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -766.187151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.187151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.187151 (E_RNA)
where:
Base-Base interactions energy: -525.149
where: short stacking energy: -213.441
Base-Backbone interact. energy: -0.954
local terms energy: -240.084597
where:
bonds (distance) C4'-P energy: -43.980
bonds (distance) P-C4' energy: -50.726
flat angles C4'-P-C4' energy: -53.713
flat angles P-C4'-P energy: -40.194
tors. eta vs tors. theta energy: -51.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -774.041323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.041323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.041323 (E_RNA)
where:
Base-Base interactions energy: -534.744
where: short stacking energy: -214.681
Base-Backbone interact. energy: 0.298
local terms energy: -239.595036
where:
bonds (distance) C4'-P energy: -46.723
bonds (distance) P-C4' energy: -56.639
flat angles C4'-P-C4' energy: -46.664
flat angles P-C4'-P energy: -35.146
tors. eta vs tors. theta energy: -54.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -730.285044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.285044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.285044 (E_RNA)
where:
Base-Base interactions energy: -493.456
where: short stacking energy: -215.625
Base-Backbone interact. energy: 1.646
local terms energy: -238.475321
where:
bonds (distance) C4'-P energy: -39.777
bonds (distance) P-C4' energy: -51.866
flat angles C4'-P-C4' energy: -44.589
flat angles P-C4'-P energy: -36.757
tors. eta vs tors. theta energy: -65.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -661.532450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.532450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.532450 (E_RNA)
where:
Base-Base interactions energy: -483.322
where: short stacking energy: -195.960
Base-Backbone interact. energy: -0.964
local terms energy: -177.246707
where:
bonds (distance) C4'-P energy: -21.885
bonds (distance) P-C4' energy: -31.197
flat angles C4'-P-C4' energy: -53.084
flat angles P-C4'-P energy: -25.710
tors. eta vs tors. theta energy: -45.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -354.524585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.524585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.524585 (E_RNA)
where:
Base-Base interactions energy: -192.447
where: short stacking energy: -101.711
Base-Backbone interact. energy: -1.152
local terms energy: -160.925454
where:
bonds (distance) C4'-P energy: -43.224
bonds (distance) P-C4' energy: -48.135
flat angles C4'-P-C4' energy: -34.652
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -968.836481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.836481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.836481 (E_RNA)
where:
Base-Base interactions energy: -658.552
where: short stacking energy: -296.071
Base-Backbone interact. energy: -0.710
local terms energy: -309.574907
where:
bonds (distance) C4'-P energy: -58.331
bonds (distance) P-C4' energy: -57.743
flat angles C4'-P-C4' energy: -64.456
flat angles P-C4'-P energy: -42.547
tors. eta vs tors. theta energy: -86.498
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: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -938.902066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.902066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.902066 (E_RNA)
where:
Base-Base interactions energy: -652.174
where: short stacking energy: -302.778
Base-Backbone interact. energy: -0.322
local terms energy: -286.405569
where:
bonds (distance) C4'-P energy: -54.453
bonds (distance) P-C4' energy: -45.802
flat angles C4'-P-C4' energy: -60.937
flat angles P-C4'-P energy: -33.797
tors. eta vs tors. theta energy: -91.416
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: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -900.071721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.071721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.071721 (E_RNA)
where:
Base-Base interactions energy: -625.503
where: short stacking energy: -267.983
Base-Backbone interact. energy: -1.381
local terms energy: -273.187439
where:
bonds (distance) C4'-P energy: -47.915
bonds (distance) P-C4' energy: -50.716
flat angles C4'-P-C4' energy: -60.049
flat angles P-C4'-P energy: -33.978
tors. eta vs tors. theta energy: -80.530
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: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -877.971185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.971185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.971185 (E_RNA)
where:
Base-Base interactions energy: -601.813
where: short stacking energy: -260.245
Base-Backbone interact. energy: -0.354
local terms energy: -275.804070
where:
bonds (distance) C4'-P energy: -57.663
bonds (distance) P-C4' energy: -51.286
flat angles C4'-P-C4' energy: -55.643
flat angles P-C4'-P energy: -34.481
tors. eta vs tors. theta energy: -76.732
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: 5, replica: 4
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -798.145648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.145648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.145648 (E_RNA)
where:
Base-Base interactions energy: -538.677
where: short stacking energy: -243.210
Base-Backbone interact. energy: -0.363
local terms energy: -259.105413
where:
bonds (distance) C4'-P energy: -49.842
bonds (distance) P-C4' energy: -49.608
flat angles C4'-P-C4' energy: -57.603
flat angles P-C4'-P energy: -34.687
tors. eta vs tors. theta energy: -67.365
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: 8
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -791.334879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.334879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.334879 (E_RNA)
where:
Base-Base interactions energy: -549.559
where: short stacking energy: -226.314
Base-Backbone interact. energy: -0.100
local terms energy: -241.676627
where:
bonds (distance) C4'-P energy: -43.419
bonds (distance) P-C4' energy: -47.636
flat angles C4'-P-C4' energy: -50.576
flat angles P-C4'-P energy: -38.005
tors. eta vs tors. theta energy: -62.041
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: 52
Temperature: 1.200000
Total energy: -773.230088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.230088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.230088 (E_RNA)
where:
Base-Base interactions energy: -546.579
where: short stacking energy: -227.393
Base-Backbone interact. energy: -0.553
local terms energy: -226.098660
where:
bonds (distance) C4'-P energy: -37.722
bonds (distance) P-C4' energy: -50.369
flat angles C4'-P-C4' energy: -45.871
flat angles P-C4'-P energy: -34.210
tors. eta vs tors. theta energy: -57.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -731.359749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.359749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.359749 (E_RNA)
where:
Base-Base interactions energy: -489.839
where: short stacking energy: -204.918
Base-Backbone interact. energy: -0.486
local terms energy: -241.034183
where:
bonds (distance) C4'-P energy: -40.916
bonds (distance) P-C4' energy: -47.402
flat angles C4'-P-C4' energy: -54.466
flat angles P-C4'-P energy: -31.776
tors. eta vs tors. theta energy: -66.474
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: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -606.773822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.773822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.773822 (E_RNA)
where:
Base-Base interactions energy: -396.387
where: short stacking energy: -163.903
Base-Backbone interact. energy: -0.682
local terms energy: -209.704908
where:
bonds (distance) C4'-P energy: -39.840
bonds (distance) P-C4' energy: -50.894
flat angles C4'-P-C4' energy: -46.643
flat angles P-C4'-P energy: -31.812
tors. eta vs tors. theta energy: -40.516
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: 52
Temperature: 1.350000
Total energy: -355.173304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.173304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.173304 (E_RNA)
where:
Base-Base interactions energy: -207.099
where: short stacking energy: -103.571
Base-Backbone interact. energy: 0.637
local terms energy: -148.711108
where:
bonds (distance) C4'-P energy: -44.615
bonds (distance) P-C4' energy: -48.993
flat angles C4'-P-C4' energy: -30.243
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -5.026
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: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -958.599445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.599445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.599445 (E_RNA)
where:
Base-Base interactions energy: -651.685
where: short stacking energy: -283.034
Base-Backbone interact. energy: -0.613
local terms energy: -306.301631
where:
bonds (distance) C4'-P energy: -52.737
bonds (distance) P-C4' energy: -59.224
flat angles C4'-P-C4' energy: -63.485
flat angles P-C4'-P energy: -40.894
tors. eta vs tors. theta energy: -89.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -946.899865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.899865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.899865 (E_RNA)
where:
Base-Base interactions energy: -663.806
where: short stacking energy: -285.714
Base-Backbone interact. energy: 2.073
local terms energy: -285.167151
where:
bonds (distance) C4'-P energy: -49.729
bonds (distance) P-C4' energy: -51.175
flat angles C4'-P-C4' energy: -58.136
flat angles P-C4'-P energy: -35.535
tors. eta vs tors. theta energy: -90.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -915.254432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.254432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.254432 (E_RNA)
where:
Base-Base interactions energy: -623.292
where: short stacking energy: -282.098
Base-Backbone interact. energy: -0.766
local terms energy: -291.195757
where:
bonds (distance) C4'-P energy: -51.522
bonds (distance) P-C4' energy: -54.913
flat angles C4'-P-C4' energy: -59.535
flat angles P-C4'-P energy: -42.783
tors. eta vs tors. theta energy: -82.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -873.640619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.640619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.640619 (E_RNA)
where:
Base-Base interactions energy: -595.533
where: short stacking energy: -264.800
Base-Backbone interact. energy: -0.630
local terms energy: -277.477734
where:
bonds (distance) C4'-P energy: -54.212
bonds (distance) P-C4' energy: -47.919
flat angles C4'-P-C4' energy: -57.671
flat angles P-C4'-P energy: -36.333
tors. eta vs tors. theta energy: -81.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -804.937618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.937618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.937618 (E_RNA)
where:
Base-Base interactions energy: -567.939
where: short stacking energy: -238.314
Base-Backbone interact. energy: -0.510
local terms energy: -236.488800
where:
bonds (distance) C4'-P energy: -40.653
bonds (distance) P-C4' energy: -42.812
flat angles C4'-P-C4' energy: -56.074
flat angles P-C4'-P energy: -29.271
tors. eta vs tors. theta energy: -67.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -778.976490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.976490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.976490 (E_RNA)
where:
Base-Base interactions energy: -544.149
where: short stacking energy: -233.839
Base-Backbone interact. energy: -0.259
local terms energy: -234.568208
where:
bonds (distance) C4'-P energy: -41.597
bonds (distance) P-C4' energy: -46.613
flat angles C4'-P-C4' energy: -55.733
flat angles P-C4'-P energy: -21.337
tors. eta vs tors. theta energy: -69.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -751.846261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.846261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.846261 (E_RNA)
where:
Base-Base interactions energy: -519.565
where: short stacking energy: -216.409
Base-Backbone interact. energy: -1.040
local terms energy: -231.241467
where:
bonds (distance) C4'-P energy: -35.124
bonds (distance) P-C4' energy: -47.080
flat angles C4'-P-C4' energy: -58.987
flat angles P-C4'-P energy: -33.441
tors. eta vs tors. theta energy: -56.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -748.362718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.362718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.362718 (E_RNA)
where:
Base-Base interactions energy: -506.429
where: short stacking energy: -217.506
Base-Backbone interact. energy: 0.730
local terms energy: -242.664184
where:
bonds (distance) C4'-P energy: -34.680
bonds (distance) P-C4' energy: -57.983
flat angles C4'-P-C4' energy: -44.202
flat angles P-C4'-P energy: -36.123
tors. eta vs tors. theta energy: -69.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -619.893342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.893342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.893342 (E_RNA)
where:
Base-Base interactions energy: -444.127
where: short stacking energy: -170.995
Base-Backbone interact. energy: -0.063
local terms energy: -175.703150
where:
bonds (distance) C4'-P energy: -29.712
bonds (distance) P-C4' energy: -33.915
flat angles C4'-P-C4' energy: -42.149
flat angles P-C4'-P energy: -25.675
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: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -345.795009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.795009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.795009 (E_RNA)
where:
Base-Base interactions energy: -200.067
where: short stacking energy: -105.301
Base-Backbone interact. energy: -0.839
local terms energy: -144.889500
where:
bonds (distance) C4'-P energy: -31.306
bonds (distance) P-C4' energy: -47.583
flat angles C4'-P-C4' energy: -38.515
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -10.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -964.573320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.573320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.573320 (E_RNA)
where:
Base-Base interactions energy: -678.759
where: short stacking energy: -303.299
Base-Backbone interact. energy: -1.320
local terms energy: -284.494366
where:
bonds (distance) C4'-P energy: -54.379
bonds (distance) P-C4' energy: -45.044
flat angles C4'-P-C4' energy: -56.864
flat angles P-C4'-P energy: -37.591
tors. eta vs tors. theta energy: -90.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -954.571834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.571834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.571834 (E_RNA)
where:
Base-Base interactions energy: -666.032
where: short stacking energy: -291.315
Base-Backbone interact. energy: -0.892
local terms energy: -287.648093
where:
bonds (distance) C4'-P energy: -50.551
bonds (distance) P-C4' energy: -53.957
flat angles C4'-P-C4' energy: -53.414
flat angles P-C4'-P energy: -42.414
tors. eta vs tors. theta energy: -87.312
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: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -911.470245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.470245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.470245 (E_RNA)
where:
Base-Base interactions energy: -633.074
where: short stacking energy: -290.704
Base-Backbone interact. energy: -1.032
local terms energy: -277.363557
where:
bonds (distance) C4'-P energy: -48.087
bonds (distance) P-C4' energy: -39.482
flat angles C4'-P-C4' energy: -59.266
flat angles P-C4'-P energy: -43.155
tors. eta vs tors. theta energy: -87.374
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: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -868.562122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.562122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.562122 (E_RNA)
where:
Base-Base interactions energy: -590.759
where: short stacking energy: -262.299
Base-Backbone interact. energy: -0.794
local terms energy: -277.009250
where:
bonds (distance) C4'-P energy: -55.602
bonds (distance) P-C4' energy: -46.483
flat angles C4'-P-C4' energy: -49.436
flat angles P-C4'-P energy: -45.132
tors. eta vs tors. theta energy: -80.356
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: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -793.668331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.668331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.668331 (E_RNA)
where:
Base-Base interactions energy: -539.755
where: short stacking energy: -222.075
Base-Backbone interact. energy: -0.436
local terms energy: -253.477268
where:
bonds (distance) C4'-P energy: -45.039
bonds (distance) P-C4' energy: -56.356
flat angles C4'-P-C4' energy: -52.604
flat angles P-C4'-P energy: -32.025
tors. eta vs tors. theta energy: -67.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -792.515064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.515064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.515064 (E_RNA)
where:
Base-Base interactions energy: -561.268
where: short stacking energy: -228.135
Base-Backbone interact. energy: -2.007
local terms energy: -229.239641
where:
bonds (distance) C4'-P energy: -46.714
bonds (distance) P-C4' energy: -39.654
flat angles C4'-P-C4' energy: -57.018
flat angles P-C4'-P energy: -27.516
tors. eta vs tors. theta energy: -58.339
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: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -731.746953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.746953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.746953 (E_RNA)
where:
Base-Base interactions energy: -507.268
where: short stacking energy: -210.038
Base-Backbone interact. energy: -0.883
local terms energy: -223.596292
where:
bonds (distance) C4'-P energy: -35.380
bonds (distance) P-C4' energy: -51.608
flat angles C4'-P-C4' energy: -46.642
flat angles P-C4'-P energy: -36.354
tors. eta vs tors. theta energy: -53.612
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: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -702.085180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.085180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.085180 (E_RNA)
where:
Base-Base interactions energy: -497.530
where: short stacking energy: -203.578
Base-Backbone interact. energy: 1.241
local terms energy: -205.796475
where:
bonds (distance) C4'-P energy: -37.480
bonds (distance) P-C4' energy: -48.295
flat angles C4'-P-C4' energy: -43.316
flat angles P-C4'-P energy: -28.549
tors. eta vs tors. theta energy: -48.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -622.801976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.801976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.801976 (E_RNA)
where:
Base-Base interactions energy: -415.671
where: short stacking energy: -172.745
Base-Backbone interact. energy: 0.658
local terms energy: -207.789165
where:
bonds (distance) C4'-P energy: -47.177
bonds (distance) P-C4' energy: -39.349
flat angles C4'-P-C4' energy: -45.047
flat angles P-C4'-P energy: -32.799
tors. eta vs tors. theta energy: -43.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -336.103139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.103139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.103139 (E_RNA)
where:
Base-Base interactions energy: -192.899
where: short stacking energy: -91.755
Base-Backbone interact. energy: -1.349
local terms energy: -141.855081
where:
bonds (distance) C4'-P energy: -46.870
bonds (distance) P-C4' energy: -29.535
flat angles C4'-P-C4' energy: -37.164
flat angles P-C4'-P energy: -21.328
tors. eta vs tors. theta energy: -6.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -973.640569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.640569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.640569 (E_RNA)
where:
Base-Base interactions energy: -675.360
where: short stacking energy: -296.671
Base-Backbone interact. energy: -0.513
local terms energy: -297.768277
where:
bonds (distance) C4'-P energy: -55.112
bonds (distance) P-C4' energy: -47.170
flat angles C4'-P-C4' energy: -63.918
flat angles P-C4'-P energy: -41.861
tors. eta vs tors. theta energy: -89.706
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: 55
Temperature: 0.950000
Total energy: -947.258994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.258994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.258994 (E_RNA)
where:
Base-Base interactions energy: -646.407
where: short stacking energy: -278.435
Base-Backbone interact. energy: -1.110
local terms energy: -299.742881
where:
bonds (distance) C4'-P energy: -55.798
bonds (distance) P-C4' energy: -48.760
flat angles C4'-P-C4' energy: -65.708
flat angles P-C4'-P energy: -40.891
tors. eta vs tors. theta energy: -88.586
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: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -934.044943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.044943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.044943 (E_RNA)
where:
Base-Base interactions energy: -641.821
where: short stacking energy: -279.136
Base-Backbone interact. energy: 0.763
local terms energy: -292.986370
where:
bonds (distance) C4'-P energy: -53.390
bonds (distance) P-C4' energy: -46.995
flat angles C4'-P-C4' energy: -64.072
flat angles P-C4'-P energy: -40.897
tors. eta vs tors. theta energy: -87.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -859.049204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.049204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.049204 (E_RNA)
where:
Base-Base interactions energy: -595.317
where: short stacking energy: -255.601
Base-Backbone interact. energy: -0.654
local terms energy: -263.077840
where:
bonds (distance) C4'-P energy: -46.726
bonds (distance) P-C4' energy: -46.776
flat angles C4'-P-C4' energy: -58.705
flat angles P-C4'-P energy: -40.894
tors. eta vs tors. theta energy: -69.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -804.078304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.078304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.078304 (E_RNA)
where:
Base-Base interactions energy: -550.636
where: short stacking energy: -231.437
Base-Backbone interact. energy: 0.665
local terms energy: -254.107469
where:
bonds (distance) C4'-P energy: -47.707
bonds (distance) P-C4' energy: -49.460
flat angles C4'-P-C4' energy: -51.597
flat angles P-C4'-P energy: -38.442
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: 6, replica: 4
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -795.374292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.374292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.374292 (E_RNA)
where:
Base-Base interactions energy: -551.839
where: short stacking energy: -219.661
Base-Backbone interact. energy: -2.066
local terms energy: -241.469548
where:
bonds (distance) C4'-P energy: -38.293
bonds (distance) P-C4' energy: -48.292
flat angles C4'-P-C4' energy: -51.231
flat angles P-C4'-P energy: -39.915
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: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -726.287692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.287692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.287692 (E_RNA)
where:
Base-Base interactions energy: -485.810
where: short stacking energy: -201.904
Base-Backbone interact. energy: -1.265
local terms energy: -239.212396
where:
bonds (distance) C4'-P energy: -47.850
bonds (distance) P-C4' energy: -55.806
flat angles C4'-P-C4' energy: -52.854
flat angles P-C4'-P energy: -30.428
tors. eta vs tors. theta energy: -52.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -741.244428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.244428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.244428 (E_RNA)
where:
Base-Base interactions energy: -525.598
where: short stacking energy: -200.927
Base-Backbone interact. energy: -0.562
local terms energy: -215.083783
where:
bonds (distance) C4'-P energy: -37.651
bonds (distance) P-C4' energy: -47.783
flat angles C4'-P-C4' energy: -49.885
flat angles P-C4'-P energy: -30.418
tors. eta vs tors. theta energy: -49.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -687.638328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.638328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.638328 (E_RNA)
where:
Base-Base interactions energy: -464.421
where: short stacking energy: -188.005
Base-Backbone interact. energy: -1.238
local terms energy: -221.980027
where:
bonds (distance) C4'-P energy: -47.518
bonds (distance) P-C4' energy: -35.819
flat angles C4'-P-C4' energy: -48.465
flat angles P-C4'-P energy: -31.475
tors. eta vs tors. theta energy: -58.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -359.016664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.016664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.016664 (E_RNA)
where:
Base-Base interactions energy: -208.885
where: short stacking energy: -110.693
Base-Backbone interact. energy: -0.598
local terms energy: -149.534175
where:
bonds (distance) C4'-P energy: -39.374
bonds (distance) P-C4' energy: -48.103
flat angles C4'-P-C4' energy: -36.842
flat angles P-C4'-P energy: -22.686
tors. eta vs tors. theta energy: -2.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -966.683604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.683604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.683604 (E_RNA)
where:
Base-Base interactions energy: -682.436
where: short stacking energy: -298.077
Base-Backbone interact. energy: 3.885
local terms energy: -288.132574
where:
bonds (distance) C4'-P energy: -50.919
bonds (distance) P-C4' energy: -52.821
flat angles C4'-P-C4' energy: -58.613
flat angles P-C4'-P energy: -33.865
tors. eta vs tors. theta energy: -91.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -930.465728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.465728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.465728 (E_RNA)
where:
Base-Base interactions energy: -640.464
where: short stacking energy: -281.233
Base-Backbone interact. energy: 0.467
local terms energy: -290.468151
where:
bonds (distance) C4'-P energy: -50.661
bonds (distance) P-C4' energy: -49.548
flat angles C4'-P-C4' energy: -64.020
flat angles P-C4'-P energy: -43.827
tors. eta vs tors. theta energy: -82.411
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: 56
Temperature: 1.000000
Total energy: -906.495240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.495240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.495240 (E_RNA)
where:
Base-Base interactions energy: -628.840
where: short stacking energy: -266.035
Base-Backbone interact. energy: -1.132
local terms energy: -276.523413
where:
bonds (distance) C4'-P energy: -48.369
bonds (distance) P-C4' energy: -49.672
flat angles C4'-P-C4' energy: -53.725
flat angles P-C4'-P energy: -40.378
tors. eta vs tors. theta energy: -84.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -872.293076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.293076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.293076 (E_RNA)
where:
Base-Base interactions energy: -592.605
where: short stacking energy: -255.182
Base-Backbone interact. energy: -1.711
local terms energy: -277.976851
where:
bonds (distance) C4'-P energy: -46.960
bonds (distance) P-C4' energy: -55.524
flat angles C4'-P-C4' energy: -57.976
flat angles P-C4'-P energy: -43.769
tors. eta vs tors. theta energy: -73.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -791.792482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.792482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.792482 (E_RNA)
where:
Base-Base interactions energy: -554.155
where: short stacking energy: -235.971
Base-Backbone interact. energy: -0.596
local terms energy: -237.041380
where:
bonds (distance) C4'-P energy: -48.609
bonds (distance) P-C4' energy: -51.222
flat angles C4'-P-C4' energy: -48.081
flat angles P-C4'-P energy: -27.226
tors. eta vs tors. theta energy: -61.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -803.203141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.203141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.203141 (E_RNA)
where:
Base-Base interactions energy: -541.164
where: short stacking energy: -230.614
Base-Backbone interact. energy: -0.848
local terms energy: -261.190909
where:
bonds (distance) C4'-P energy: -53.759
bonds (distance) P-C4' energy: -54.291
flat angles C4'-P-C4' energy: -48.729
flat angles P-C4'-P energy: -40.169
tors. eta vs tors. theta energy: -64.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -741.657222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.657222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.657222 (E_RNA)
where:
Base-Base interactions energy: -501.860
where: short stacking energy: -211.375
Base-Backbone interact. energy: 1.325
local terms energy: -241.121942
where:
bonds (distance) C4'-P energy: -49.935
bonds (distance) P-C4' energy: -45.655
flat angles C4'-P-C4' energy: -50.138
flat angles P-C4'-P energy: -35.713
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: 8, replica: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -696.686526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.686526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.686526 (E_RNA)
where:
Base-Base interactions energy: -468.631
where: short stacking energy: -181.803
Base-Backbone interact. energy: 2.686
local terms energy: -230.742025
where:
bonds (distance) C4'-P energy: -56.826
bonds (distance) P-C4' energy: -49.594
flat angles C4'-P-C4' energy: -45.440
flat angles P-C4'-P energy: -27.543
tors. eta vs tors. theta energy: -51.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -683.015107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.015107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.015107 (E_RNA)
where:
Base-Base interactions energy: -467.897
where: short stacking energy: -191.497
Base-Backbone interact. energy: 2.171
local terms energy: -217.288697
where:
bonds (distance) C4'-P energy: -54.050
bonds (distance) P-C4' energy: -36.995
flat angles C4'-P-C4' energy: -48.664
flat angles P-C4'-P energy: -30.868
tors. eta vs tors. theta energy: -46.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -385.168089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.168089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.168089 (E_RNA)
where:
Base-Base interactions energy: -234.429
where: short stacking energy: -111.839
Base-Backbone interact. energy: -0.892
local terms energy: -149.846902
where:
bonds (distance) C4'-P energy: -29.648
bonds (distance) P-C4' energy: -45.109
flat angles C4'-P-C4' energy: -30.697
flat angles P-C4'-P energy: -31.823
tors. eta vs tors. theta energy: -12.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -961.443240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.443240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.443240 (E_RNA)
where:
Base-Base interactions energy: -679.437
where: short stacking energy: -288.478
Base-Backbone interact. energy: 0.286
local terms energy: -282.291700
where:
bonds (distance) C4'-P energy: -56.438
bonds (distance) P-C4' energy: -37.842
flat angles C4'-P-C4' energy: -66.376
flat angles P-C4'-P energy: -39.950
tors. eta vs tors. theta energy: -81.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -932.624030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.624030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.624030 (E_RNA)
where:
Base-Base interactions energy: -646.089
where: short stacking energy: -298.471
Base-Backbone interact. energy: -1.272
local terms energy: -285.263698
where:
bonds (distance) C4'-P energy: -47.201
bonds (distance) P-C4' energy: -46.775
flat angles C4'-P-C4' energy: -63.112
flat angles P-C4'-P energy: -39.193
tors. eta vs tors. theta energy: -88.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -910.032526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.032526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.032526 (E_RNA)
where:
Base-Base interactions energy: -628.390
where: short stacking energy: -273.481
Base-Backbone interact. energy: -1.941
local terms energy: -279.700809
where:
bonds (distance) C4'-P energy: -47.856
bonds (distance) P-C4' energy: -51.340
flat angles C4'-P-C4' energy: -54.965
flat angles P-C4'-P energy: -41.010
tors. eta vs tors. theta energy: -84.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -885.450669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.450669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.450669 (E_RNA)
where:
Base-Base interactions energy: -614.290
where: short stacking energy: -272.032
Base-Backbone interact. energy: -0.680
local terms energy: -270.480309
where:
bonds (distance) C4'-P energy: -53.832
bonds (distance) P-C4' energy: -45.050
flat angles C4'-P-C4' energy: -58.256
flat angles P-C4'-P energy: -34.877
tors. eta vs tors. theta energy: -78.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -783.142034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.142034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.142034 (E_RNA)
where:
Base-Base interactions energy: -543.541
where: short stacking energy: -232.981
Base-Backbone interact. energy: -1.518
local terms energy: -238.082308
where:
bonds (distance) C4'-P energy: -42.914
bonds (distance) P-C4' energy: -46.387
flat angles C4'-P-C4' energy: -43.873
flat angles P-C4'-P energy: -34.433
tors. eta vs tors. theta energy: -70.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -794.526331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.526331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.526331 (E_RNA)
where:
Base-Base interactions energy: -546.632
where: short stacking energy: -225.922
Base-Backbone interact. energy: 1.420
local terms energy: -249.313396
where:
bonds (distance) C4'-P energy: -45.360
bonds (distance) P-C4' energy: -50.275
flat angles C4'-P-C4' energy: -50.485
flat angles P-C4'-P energy: -40.603
tors. eta vs tors. theta energy: -62.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -732.203220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.203220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.203220 (E_RNA)
where:
Base-Base interactions energy: -499.967
where: short stacking energy: -205.929
Base-Backbone interact. energy: -1.019
local terms energy: -231.217973
where:
bonds (distance) C4'-P energy: -40.124
bonds (distance) P-C4' energy: -45.741
flat angles C4'-P-C4' energy: -49.589
flat angles P-C4'-P energy: -36.011
tors. eta vs tors. theta energy: -59.754
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: 8, replica: 9
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -705.819937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.819937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.819937 (E_RNA)
where:
Base-Base interactions energy: -472.925
where: short stacking energy: -181.441
Base-Backbone interact. energy: 1.143
local terms energy: -234.037435
where:
bonds (distance) C4'-P energy: -50.122
bonds (distance) P-C4' energy: -47.211
flat angles C4'-P-C4' energy: -52.011
flat angles P-C4'-P energy: -34.224
tors. eta vs tors. theta energy: -50.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -693.846749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.846749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.846749 (E_RNA)
where:
Base-Base interactions energy: -492.353
where: short stacking energy: -193.814
Base-Backbone interact. energy: 0.505
local terms energy: -201.998649
where:
bonds (distance) C4'-P energy: -35.520
bonds (distance) P-C4' energy: -51.604
flat angles C4'-P-C4' energy: -42.160
flat angles P-C4'-P energy: -28.795
tors. eta vs tors. theta energy: -43.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -420.339055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.339055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.339055 (E_RNA)
where:
Base-Base interactions energy: -231.100
where: short stacking energy: -113.942
Base-Backbone interact. energy: -0.285
local terms energy: -188.954462
where:
bonds (distance) C4'-P energy: -44.067
bonds (distance) P-C4' energy: -52.751
flat angles C4'-P-C4' energy: -38.900
flat angles P-C4'-P energy: -28.903
tors. eta vs tors. theta energy: -24.334
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: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -948.396766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.396766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.396766 (E_RNA)
where:
Base-Base interactions energy: -659.078
where: short stacking energy: -297.533
Base-Backbone interact. energy: -0.833
local terms energy: -288.485115
where:
bonds (distance) C4'-P energy: -52.767
bonds (distance) P-C4' energy: -42.749
flat angles C4'-P-C4' energy: -61.157
flat angles P-C4'-P energy: -43.001
tors. eta vs tors. theta energy: -88.811
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: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -939.601138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.601138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.601138 (E_RNA)
where:
Base-Base interactions energy: -658.702
where: short stacking energy: -288.001
Base-Backbone interact. energy: -1.205
local terms energy: -279.694140
where:
bonds (distance) C4'-P energy: -53.337
bonds (distance) P-C4' energy: -47.300
flat angles C4'-P-C4' energy: -59.323
flat angles P-C4'-P energy: -36.568
tors. eta vs tors. theta energy: -83.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -925.299425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.299425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.299425 (E_RNA)
where:
Base-Base interactions energy: -639.232
where: short stacking energy: -280.931
Base-Backbone interact. energy: 1.514
local terms energy: -287.581453
where:
bonds (distance) C4'-P energy: -48.616
bonds (distance) P-C4' energy: -53.347
flat angles C4'-P-C4' energy: -51.282
flat angles P-C4'-P energy: -45.892
tors. eta vs tors. theta energy: -88.444
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: 58
Temperature: 1.050000
Total energy: -881.903987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.903987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.903987 (E_RNA)
where:
Base-Base interactions energy: -588.787
where: short stacking energy: -252.708
Base-Backbone interact. energy: -0.099
local terms energy: -293.018654
where:
bonds (distance) C4'-P energy: -52.651
bonds (distance) P-C4' energy: -54.331
flat angles C4'-P-C4' energy: -57.758
flat angles P-C4'-P energy: -48.531
tors. eta vs tors. theta energy: -79.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -782.041081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.041081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.041081 (E_RNA)
where:
Base-Base interactions energy: -536.035
where: short stacking energy: -231.498
Base-Backbone interact. energy: -0.449
local terms energy: -245.557652
where:
bonds (distance) C4'-P energy: -47.349
bonds (distance) P-C4' energy: -47.683
flat angles C4'-P-C4' energy: -50.752
flat angles P-C4'-P energy: -37.855
tors. eta vs tors. theta energy: -61.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -769.902927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.902927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.902927 (E_RNA)
where:
Base-Base interactions energy: -535.607
where: short stacking energy: -230.110
Base-Backbone interact. energy: -1.035
local terms energy: -233.260283
where:
bonds (distance) C4'-P energy: -50.605
bonds (distance) P-C4' energy: -51.780
flat angles C4'-P-C4' energy: -42.719
flat angles P-C4'-P energy: -27.368
tors. eta vs tors. theta energy: -60.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -751.114046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.114046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.114046 (E_RNA)
where:
Base-Base interactions energy: -522.009
where: short stacking energy: -216.796
Base-Backbone interact. energy: -0.743
local terms energy: -228.362585
where:
bonds (distance) C4'-P energy: -42.072
bonds (distance) P-C4' energy: -45.981
flat angles C4'-P-C4' energy: -49.757
flat angles P-C4'-P energy: -28.701
tors. eta vs tors. theta energy: -61.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -663.336811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.336811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.336811 (E_RNA)
where:
Base-Base interactions energy: -476.060
where: short stacking energy: -169.419
Base-Backbone interact. energy: -1.495
local terms energy: -185.782226
where:
bonds (distance) C4'-P energy: -31.646
bonds (distance) P-C4' energy: -51.441
flat angles C4'-P-C4' energy: -37.387
flat angles P-C4'-P energy: -30.060
tors. eta vs tors. theta energy: -35.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -664.926577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.926577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.926577 (E_RNA)
where:
Base-Base interactions energy: -475.445
where: short stacking energy: -181.785
Base-Backbone interact. energy: -2.364
local terms energy: -187.117648
where:
bonds (distance) C4'-P energy: -45.126
bonds (distance) P-C4' energy: -37.314
flat angles C4'-P-C4' energy: -42.075
flat angles P-C4'-P energy: -22.573
tors. eta vs tors. theta energy: -40.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -410.559597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.559597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.559597 (E_RNA)
where:
Base-Base interactions energy: -233.811
where: short stacking energy: -108.193
Base-Backbone interact. energy: -0.475
local terms energy: -176.273213
where:
bonds (distance) C4'-P energy: -39.160
bonds (distance) P-C4' energy: -49.136
flat angles C4'-P-C4' energy: -51.395
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -950.014524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.014524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.014524 (E_RNA)
where:
Base-Base interactions energy: -653.753
where: short stacking energy: -292.249
Base-Backbone interact. energy: 2.251
local terms energy: -298.511851
where:
bonds (distance) C4'-P energy: -58.306
bonds (distance) P-C4' energy: -51.303
flat angles C4'-P-C4' energy: -59.826
flat angles P-C4'-P energy: -45.766
tors. eta vs tors. theta energy: -83.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -933.852326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.852326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.852326 (E_RNA)
where:
Base-Base interactions energy: -641.427
where: short stacking energy: -284.127
Base-Backbone interact. energy: -1.571
local terms energy: -290.854245
where:
bonds (distance) C4'-P energy: -45.266
bonds (distance) P-C4' energy: -52.150
flat angles C4'-P-C4' energy: -61.795
flat angles P-C4'-P energy: -42.147
tors. eta vs tors. theta energy: -89.495
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: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -927.807565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.807565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.807565 (E_RNA)
where:
Base-Base interactions energy: -639.580
where: short stacking energy: -289.234
Base-Backbone interact. energy: -0.926
local terms energy: -287.300874
where:
bonds (distance) C4'-P energy: -51.588
bonds (distance) P-C4' energy: -49.553
flat angles C4'-P-C4' energy: -61.992
flat angles P-C4'-P energy: -39.114
tors. eta vs tors. theta energy: -85.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -923.497664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.497664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.497664 (E_RNA)
where:
Base-Base interactions energy: -638.905
where: short stacking energy: -284.428
Base-Backbone interact. energy: -1.628
local terms energy: -282.964513
where:
bonds (distance) C4'-P energy: -46.890
bonds (distance) P-C4' energy: -50.561
flat angles C4'-P-C4' energy: -51.298
flat angles P-C4'-P energy: -42.901
tors. eta vs tors. theta energy: -91.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -803.237847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.237847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.237847 (E_RNA)
where:
Base-Base interactions energy: -549.518
where: short stacking energy: -244.841
Base-Backbone interact. energy: -0.260
local terms energy: -253.459320
where:
bonds (distance) C4'-P energy: -49.428
bonds (distance) P-C4' energy: -49.533
flat angles C4'-P-C4' energy: -46.910
flat angles P-C4'-P energy: -38.028
tors. eta vs tors. theta energy: -69.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -790.738703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.738703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.738703 (E_RNA)
where:
Base-Base interactions energy: -542.854
where: short stacking energy: -217.986
Base-Backbone interact. energy: -0.433
local terms energy: -247.451590
where:
bonds (distance) C4'-P energy: -51.816
bonds (distance) P-C4' energy: -41.822
flat angles C4'-P-C4' energy: -49.360
flat angles P-C4'-P energy: -36.344
tors. eta vs tors. theta energy: -68.109
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: 7, replica: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -761.206027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.206027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.206027 (E_RNA)
where:
Base-Base interactions energy: -524.096
where: short stacking energy: -208.610
Base-Backbone interact. energy: -1.104
local terms energy: -236.006010
where:
bonds (distance) C4'-P energy: -46.856
bonds (distance) P-C4' energy: -53.722
flat angles C4'-P-C4' energy: -51.866
flat angles P-C4'-P energy: -29.146
tors. eta vs tors. theta energy: -54.415
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: 5
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -705.346698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.346698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.346698 (E_RNA)
where:
Base-Base interactions energy: -474.575
where: short stacking energy: -187.902
Base-Backbone interact. energy: -0.400
local terms energy: -230.371557
where:
bonds (distance) C4'-P energy: -46.312
bonds (distance) P-C4' energy: -45.642
flat angles C4'-P-C4' energy: -51.276
flat angles P-C4'-P energy: -34.993
tors. eta vs tors. theta energy: -52.149
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: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -643.236325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.236325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.236325 (E_RNA)
where:
Base-Base interactions energy: -439.728
where: short stacking energy: -174.197
Base-Backbone interact. energy: -0.136
local terms energy: -203.373244
where:
bonds (distance) C4'-P energy: -42.756
bonds (distance) P-C4' energy: -52.931
flat angles C4'-P-C4' energy: -38.249
flat angles P-C4'-P energy: -29.346
tors. eta vs tors. theta energy: -40.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -427.558741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.558741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.558741 (E_RNA)
where:
Base-Base interactions energy: -251.663
where: short stacking energy: -121.410
Base-Backbone interact. energy: -0.774
local terms energy: -175.121449
where:
bonds (distance) C4'-P energy: -48.751
bonds (distance) P-C4' energy: -39.637
flat angles C4'-P-C4' energy: -44.654
flat angles P-C4'-P energy: -36.596
tors. eta vs tors. theta energy: -5.484
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: 60
Temperature: 0.900000
Total energy: -938.744646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.744646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.744646 (E_RNA)
where:
Base-Base interactions energy: -648.960
where: short stacking energy: -293.969
Base-Backbone interact. energy: 0.728
local terms energy: -290.513095
where:
bonds (distance) C4'-P energy: -43.229
bonds (distance) P-C4' energy: -51.989
flat angles C4'-P-C4' energy: -66.498
flat angles P-C4'-P energy: -41.136
tors. eta vs tors. theta energy: -87.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -950.822034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.822034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.822034 (E_RNA)
where:
Base-Base interactions energy: -652.342
where: short stacking energy: -281.144
Base-Backbone interact. energy: -0.000
local terms energy: -298.479724
where:
bonds (distance) C4'-P energy: -51.618
bonds (distance) P-C4' energy: -55.035
flat angles C4'-P-C4' energy: -58.975
flat angles P-C4'-P energy: -46.098
tors. eta vs tors. theta energy: -86.754
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: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -922.222294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.222294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.222294 (E_RNA)
where:
Base-Base interactions energy: -629.716
where: short stacking energy: -279.021
Base-Backbone interact. energy: 0.318
local terms energy: -292.824310
where:
bonds (distance) C4'-P energy: -56.634
bonds (distance) P-C4' energy: -58.081
flat angles C4'-P-C4' energy: -54.561
flat angles P-C4'-P energy: -38.117
tors. eta vs tors. theta energy: -85.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -890.689513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.689513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.689513 (E_RNA)
where:
Base-Base interactions energy: -614.204
where: short stacking energy: -268.222
Base-Backbone interact. energy: -0.176
local terms energy: -276.309669
where:
bonds (distance) C4'-P energy: -48.564
bonds (distance) P-C4' energy: -43.587
flat angles C4'-P-C4' energy: -58.799
flat angles P-C4'-P energy: -46.280
tors. eta vs tors. theta energy: -79.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -815.744715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.744715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.744715 (E_RNA)
where:
Base-Base interactions energy: -557.401
where: short stacking energy: -234.625
Base-Backbone interact. energy: -0.316
local terms energy: -258.028092
where:
bonds (distance) C4'-P energy: -47.004
bonds (distance) P-C4' energy: -44.714
flat angles C4'-P-C4' energy: -58.763
flat angles P-C4'-P energy: -34.940
tors. eta vs tors. theta energy: -72.607
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: 6, replica: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -818.768507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.768507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.768507 (E_RNA)
where:
Base-Base interactions energy: -575.510
where: short stacking energy: -245.669
Base-Backbone interact. energy: -0.831
local terms energy: -242.427853
where:
bonds (distance) C4'-P energy: -37.834
bonds (distance) P-C4' energy: -40.914
flat angles C4'-P-C4' energy: -50.986
flat angles P-C4'-P energy: -40.829
tors. eta vs tors. theta energy: -71.864
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: 7, replica: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -683.158219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.158219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.158219 (E_RNA)
where:
Base-Base interactions energy: -462.241
where: short stacking energy: -197.874
Base-Backbone interact. energy: -0.067
local terms energy: -220.851144
where:
bonds (distance) C4'-P energy: -44.098
bonds (distance) P-C4' energy: -48.872
flat angles C4'-P-C4' energy: -37.820
flat angles P-C4'-P energy: -36.279
tors. eta vs tors. theta energy: -53.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -712.586128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.586128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.586128 (E_RNA)
where:
Base-Base interactions energy: -509.819
where: short stacking energy: -202.043
Base-Backbone interact. energy: -1.148
local terms energy: -201.619236
where:
bonds (distance) C4'-P energy: -30.161
bonds (distance) P-C4' energy: -41.233
flat angles C4'-P-C4' energy: -50.248
flat angles P-C4'-P energy: -27.762
tors. eta vs tors. theta energy: -52.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -622.234497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.234497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.234497 (E_RNA)
where:
Base-Base interactions energy: -437.241
where: short stacking energy: -186.993
Base-Backbone interact. energy: 0.683
local terms energy: -185.676705
where:
bonds (distance) C4'-P energy: -40.445
bonds (distance) P-C4' energy: -46.958
flat angles C4'-P-C4' energy: -33.278
flat angles P-C4'-P energy: -14.186
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: 10, replica: 10
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -388.319154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.319154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.319154 (E_RNA)
where:
Base-Base interactions energy: -232.574
where: short stacking energy: -107.109
Base-Backbone interact. energy: -0.361
local terms energy: -155.384620
where:
bonds (distance) C4'-P energy: -34.333
bonds (distance) P-C4' energy: -42.641
flat angles C4'-P-C4' energy: -42.084
flat angles P-C4'-P energy: -23.094
tors. eta vs tors. theta energy: -13.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -932.104041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.104041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.104041 (E_RNA)
where:
Base-Base interactions energy: -641.813
where: short stacking energy: -287.822
Base-Backbone interact. energy: -1.906
local terms energy: -288.384391
where:
bonds (distance) C4'-P energy: -50.043
bonds (distance) P-C4' energy: -52.852
flat angles C4'-P-C4' energy: -57.838
flat angles P-C4'-P energy: -42.358
tors. eta vs tors. theta energy: -85.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -929.571850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.571850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.571850 (E_RNA)
where:
Base-Base interactions energy: -642.324
where: short stacking energy: -284.965
Base-Backbone interact. energy: -1.817
local terms energy: -285.431533
where:
bonds (distance) C4'-P energy: -54.742
bonds (distance) P-C4' energy: -55.147
flat angles C4'-P-C4' energy: -47.318
flat angles P-C4'-P energy: -47.287
tors. eta vs tors. theta energy: -80.937
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: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -911.066142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.066142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.066142 (E_RNA)
where:
Base-Base interactions energy: -624.820
where: short stacking energy: -290.500
Base-Backbone interact. energy: -1.049
local terms energy: -285.197219
where:
bonds (distance) C4'-P energy: -54.615
bonds (distance) P-C4' energy: -39.069
flat angles C4'-P-C4' energy: -59.119
flat angles P-C4'-P energy: -45.259
tors. eta vs tors. theta energy: -87.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -888.485726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.485726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.485726 (E_RNA)
where:
Base-Base interactions energy: -624.864
where: short stacking energy: -276.417
Base-Backbone interact. energy: -1.395
local terms energy: -262.226953
where:
bonds (distance) C4'-P energy: -40.731
bonds (distance) P-C4' energy: -58.317
flat angles C4'-P-C4' energy: -58.282
flat angles P-C4'-P energy: -22.831
tors. eta vs tors. theta energy: -82.066
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: 9
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -810.393462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.393462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.393462 (E_RNA)
where:
Base-Base interactions energy: -558.069
where: short stacking energy: -225.932
Base-Backbone interact. energy: -1.175
local terms energy: -251.149791
where:
bonds (distance) C4'-P energy: -41.695
bonds (distance) P-C4' energy: -58.396
flat angles C4'-P-C4' energy: -45.980
flat angles P-C4'-P energy: -33.905
tors. eta vs tors. theta energy: -71.175
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: 4
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -786.782132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.782132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.782132 (E_RNA)
where:
Base-Base interactions energy: -553.019
where: short stacking energy: -237.036
Base-Backbone interact. energy: -2.122
local terms energy: -231.640717
where:
bonds (distance) C4'-P energy: -40.051
bonds (distance) P-C4' energy: -46.930
flat angles C4'-P-C4' energy: -45.576
flat angles P-C4'-P energy: -30.923
tors. eta vs tors. theta energy: -68.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -692.326343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.326343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.326343 (E_RNA)
where:
Base-Base interactions energy: -447.700
where: short stacking energy: -197.794
Base-Backbone interact. energy: -0.273
local terms energy: -244.352743
where:
bonds (distance) C4'-P energy: -51.969
bonds (distance) P-C4' energy: -46.069
flat angles C4'-P-C4' energy: -54.192
flat angles P-C4'-P energy: -36.254
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: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -697.068500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.068500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.068500 (E_RNA)
where:
Base-Base interactions energy: -491.429
where: short stacking energy: -200.991
Base-Backbone interact. energy: 1.584
local terms energy: -207.224063
where:
bonds (distance) C4'-P energy: -43.783
bonds (distance) P-C4' energy: -36.197
flat angles C4'-P-C4' energy: -51.403
flat angles P-C4'-P energy: -29.693
tors. eta vs tors. theta energy: -46.148
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: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -676.315862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.315862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.315862 (E_RNA)
where:
Base-Base interactions energy: -469.742
where: short stacking energy: -187.464
Base-Backbone interact. energy: -1.411
local terms energy: -205.162832
where:
bonds (distance) C4'-P energy: -34.470
bonds (distance) P-C4' energy: -41.311
flat angles C4'-P-C4' energy: -46.826
flat angles P-C4'-P energy: -32.278
tors. eta vs tors. theta energy: -50.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -343.860399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.860399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.860399 (E_RNA)
where:
Base-Base interactions energy: -194.871
where: short stacking energy: -103.237
Base-Backbone interact. energy: -0.690
local terms energy: -148.299791
where:
bonds (distance) C4'-P energy: -41.641
bonds (distance) P-C4' energy: -45.836
flat angles C4'-P-C4' energy: -31.068
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -13.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -952.829449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.829449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.829449 (E_RNA)
where:
Base-Base interactions energy: -663.795
where: short stacking energy: -283.912
Base-Backbone interact. energy: -0.704
local terms energy: -288.330338
where:
bonds (distance) C4'-P energy: -51.412
bonds (distance) P-C4' energy: -55.806
flat angles C4'-P-C4' energy: -60.278
flat angles P-C4'-P energy: -38.645
tors. eta vs tors. theta energy: -82.189
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: 62
Temperature: 0.950000
Total energy: -945.787377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.787377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.787377 (E_RNA)
where:
Base-Base interactions energy: -661.655
where: short stacking energy: -297.336
Base-Backbone interact. energy: 1.849
local terms energy: -285.981451
where:
bonds (distance) C4'-P energy: -48.340
bonds (distance) P-C4' energy: -48.412
flat angles C4'-P-C4' energy: -55.333
flat angles P-C4'-P energy: -46.576
tors. eta vs tors. theta energy: -87.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -907.777621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.777621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.777621 (E_RNA)
where:
Base-Base interactions energy: -621.019
where: short stacking energy: -265.155
Base-Backbone interact. energy: -1.908
local terms energy: -284.850988
where:
bonds (distance) C4'-P energy: -48.947
bonds (distance) P-C4' energy: -53.583
flat angles C4'-P-C4' energy: -61.683
flat angles P-C4'-P energy: -41.567
tors. eta vs tors. theta energy: -79.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -900.270381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.270381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.270381 (E_RNA)
where:
Base-Base interactions energy: -627.389
where: short stacking energy: -275.019
Base-Backbone interact. energy: 3.756
local terms energy: -276.637342
where:
bonds (distance) C4'-P energy: -55.866
bonds (distance) P-C4' energy: -52.377
flat angles C4'-P-C4' energy: -56.121
flat angles P-C4'-P energy: -33.022
tors. eta vs tors. theta energy: -79.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -817.239172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.239172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.239172 (E_RNA)
where:
Base-Base interactions energy: -556.789
where: short stacking energy: -252.085
Base-Backbone interact. energy: -2.038
local terms energy: -258.411747
where:
bonds (distance) C4'-P energy: -47.782
bonds (distance) P-C4' energy: -50.878
flat angles C4'-P-C4' energy: -58.062
flat angles P-C4'-P energy: -31.965
tors. eta vs tors. theta energy: -69.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -771.295617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.295617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.295617 (E_RNA)
where:
Base-Base interactions energy: -533.510
where: short stacking energy: -220.422
Base-Backbone interact. energy: -0.289
local terms energy: -237.496305
where:
bonds (distance) C4'-P energy: -48.070
bonds (distance) P-C4' energy: -44.355
flat angles C4'-P-C4' energy: -48.537
flat angles P-C4'-P energy: -34.397
tors. eta vs tors. theta energy: -62.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -704.860112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.860112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.860112 (E_RNA)
where:
Base-Base interactions energy: -479.753
where: short stacking energy: -190.608
Base-Backbone interact. energy: 1.797
local terms energy: -226.903884
where:
bonds (distance) C4'-P energy: -41.484
bonds (distance) P-C4' energy: -50.484
flat angles C4'-P-C4' energy: -49.485
flat angles P-C4'-P energy: -36.481
tors. eta vs tors. theta energy: -48.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -711.963812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.963812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.963812 (E_RNA)
where:
Base-Base interactions energy: -493.969
where: short stacking energy: -188.589
Base-Backbone interact. energy: -0.149
local terms energy: -217.845394
where:
bonds (distance) C4'-P energy: -40.703
bonds (distance) P-C4' energy: -45.012
flat angles C4'-P-C4' energy: -47.816
flat angles P-C4'-P energy: -40.363
tors. eta vs tors. theta energy: -43.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -705.449486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.449486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.449486 (E_RNA)
where:
Base-Base interactions energy: -483.249
where: short stacking energy: -211.982
Base-Backbone interact. energy: -0.232
local terms energy: -221.968666
where:
bonds (distance) C4'-P energy: -37.659
bonds (distance) P-C4' energy: -55.647
flat angles C4'-P-C4' energy: -48.351
flat angles P-C4'-P energy: -29.734
tors. eta vs tors. theta energy: -50.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -352.424097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.424097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.424097 (E_RNA)
where:
Base-Base interactions energy: -181.336
where: short stacking energy: -101.269
Base-Backbone interact. energy: -2.526
local terms energy: -168.562103
where:
bonds (distance) C4'-P energy: -37.265
bonds (distance) P-C4' energy: -51.189
flat angles C4'-P-C4' energy: -39.113
flat angles P-C4'-P energy: -25.086
tors. eta vs tors. theta energy: -15.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -951.918349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.918349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.918349 (E_RNA)
where:
Base-Base interactions energy: -652.349
where: short stacking energy: -295.876
Base-Backbone interact. energy: -1.211
local terms energy: -298.359060
where:
bonds (distance) C4'-P energy: -54.825
bonds (distance) P-C4' energy: -56.970
flat angles C4'-P-C4' energy: -56.476
flat angles P-C4'-P energy: -43.282
tors. eta vs tors. theta energy: -86.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -932.556610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.556610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.556610 (E_RNA)
where:
Base-Base interactions energy: -651.853
where: short stacking energy: -278.234
Base-Backbone interact. energy: -0.846
local terms energy: -279.857566
where:
bonds (distance) C4'-P energy: -43.049
bonds (distance) P-C4' energy: -56.246
flat angles C4'-P-C4' energy: -54.706
flat angles P-C4'-P energy: -47.029
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: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -933.993358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.993358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.993358 (E_RNA)
where:
Base-Base interactions energy: -660.020
where: short stacking energy: -287.138
Base-Backbone interact. energy: -0.226
local terms energy: -273.747582
where:
bonds (distance) C4'-P energy: -38.960
bonds (distance) P-C4' energy: -48.247
flat angles C4'-P-C4' energy: -62.162
flat angles P-C4'-P energy: -37.786
tors. eta vs tors. theta energy: -86.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -913.002706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.002706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.002706 (E_RNA)
where:
Base-Base interactions energy: -631.056
where: short stacking energy: -275.067
Base-Backbone interact. energy: 0.589
local terms energy: -282.535802
where:
bonds (distance) C4'-P energy: -50.887
bonds (distance) P-C4' energy: -54.305
flat angles C4'-P-C4' energy: -58.343
flat angles P-C4'-P energy: -41.322
tors. eta vs tors. theta energy: -77.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -802.713602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.713602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.713602 (E_RNA)
where:
Base-Base interactions energy: -547.167
where: short stacking energy: -239.745
Base-Backbone interact. energy: -0.448
local terms energy: -255.098946
where:
bonds (distance) C4'-P energy: -43.610
bonds (distance) P-C4' energy: -54.228
flat angles C4'-P-C4' energy: -51.942
flat angles P-C4'-P energy: -36.616
tors. eta vs tors. theta energy: -68.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -779.426852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.426852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.426852 (E_RNA)
where:
Base-Base interactions energy: -544.788
where: short stacking energy: -243.322
Base-Backbone interact. energy: -0.129
local terms energy: -234.510211
where:
bonds (distance) C4'-P energy: -41.456
bonds (distance) P-C4' energy: -37.974
flat angles C4'-P-C4' energy: -53.376
flat angles P-C4'-P energy: -30.238
tors. eta vs tors. theta energy: -71.467
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: 9
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -734.588985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.588985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.588985 (E_RNA)
where:
Base-Base interactions energy: -509.166
where: short stacking energy: -218.791
Base-Backbone interact. energy: -0.343
local terms energy: -225.079781
where:
bonds (distance) C4'-P energy: -40.310
bonds (distance) P-C4' energy: -36.298
flat angles C4'-P-C4' energy: -50.026
flat angles P-C4'-P energy: -38.628
tors. eta vs tors. theta energy: -59.819
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: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -668.959688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.959688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.959688 (E_RNA)
where:
Base-Base interactions energy: -425.557
where: short stacking energy: -175.353
Base-Backbone interact. energy: -1.386
local terms energy: -242.017075
where:
bonds (distance) C4'-P energy: -54.253
bonds (distance) P-C4' energy: -51.056
flat angles C4'-P-C4' energy: -47.269
flat angles P-C4'-P energy: -38.278
tors. eta vs tors. theta energy: -51.161
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: 5
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -679.897554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.897554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.897554 (E_RNA)
where:
Base-Base interactions energy: -462.118
where: short stacking energy: -185.643
Base-Backbone interact. energy: -1.447
local terms energy: -216.332770
where:
bonds (distance) C4'-P energy: -38.963
bonds (distance) P-C4' energy: -43.706
flat angles C4'-P-C4' energy: -44.525
flat angles P-C4'-P energy: -40.847
tors. eta vs tors. theta energy: -48.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -355.813655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.813655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.813655 (E_RNA)
where:
Base-Base interactions energy: -196.418
where: short stacking energy: -103.961
Base-Backbone interact. energy: -1.714
local terms energy: -157.681638
where:
bonds (distance) C4'-P energy: -41.737
bonds (distance) P-C4' energy: -45.640
flat angles C4'-P-C4' energy: -32.440
flat angles P-C4'-P energy: -26.759
tors. eta vs tors. theta energy: -11.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -960.747532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.747532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.747532 (E_RNA)
where:
Base-Base interactions energy: -675.282
where: short stacking energy: -302.767
Base-Backbone interact. energy: -0.790
local terms energy: -284.676398
where:
bonds (distance) C4'-P energy: -40.976
bonds (distance) P-C4' energy: -52.050
flat angles C4'-P-C4' energy: -64.698
flat angles P-C4'-P energy: -40.139
tors. eta vs tors. theta energy: -86.813
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: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -919.050974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.050974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.050974 (E_RNA)
where:
Base-Base interactions energy: -638.632
where: short stacking energy: -277.825
Base-Backbone interact. energy: -1.252
local terms energy: -279.166075
where:
bonds (distance) C4'-P energy: -45.608
bonds (distance) P-C4' energy: -52.015
flat angles C4'-P-C4' energy: -56.072
flat angles P-C4'-P energy: -40.803
tors. eta vs tors. theta energy: -84.669
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: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -920.764090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.764090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.764090 (E_RNA)
where:
Base-Base interactions energy: -634.545
where: short stacking energy: -276.908
Base-Backbone interact. energy: -0.897
local terms energy: -285.322496
where:
bonds (distance) C4'-P energy: -47.517
bonds (distance) P-C4' energy: -48.828
flat angles C4'-P-C4' energy: -55.413
flat angles P-C4'-P energy: -44.514
tors. eta vs tors. theta energy: -89.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -882.734839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.734839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.734839 (E_RNA)
where:
Base-Base interactions energy: -620.658
where: short stacking energy: -263.875
Base-Backbone interact. energy: 0.382
local terms energy: -262.458134
where:
bonds (distance) C4'-P energy: -40.788
bonds (distance) P-C4' energy: -44.641
flat angles C4'-P-C4' energy: -60.399
flat angles P-C4'-P energy: -37.081
tors. eta vs tors. theta energy: -79.549
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: 5, replica: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -811.814364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.814364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.814364 (E_RNA)
where:
Base-Base interactions energy: -566.048
where: short stacking energy: -234.205
Base-Backbone interact. energy: -0.765
local terms energy: -245.001533
where:
bonds (distance) C4'-P energy: -51.529
bonds (distance) P-C4' energy: -35.995
flat angles C4'-P-C4' energy: -56.040
flat angles P-C4'-P energy: -28.720
tors. eta vs tors. theta energy: -72.718
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: 4
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -784.007035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.007035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.007035 (E_RNA)
where:
Base-Base interactions energy: -536.996
where: short stacking energy: -221.005
Base-Backbone interact. energy: -0.506
local terms energy: -246.504925
where:
bonds (distance) C4'-P energy: -49.459
bonds (distance) P-C4' energy: -47.314
flat angles C4'-P-C4' energy: -49.461
flat angles P-C4'-P energy: -31.197
tors. eta vs tors. theta energy: -69.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -736.217476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.217476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.217476 (E_RNA)
where:
Base-Base interactions energy: -504.399
where: short stacking energy: -208.722
Base-Backbone interact. energy: -0.283
local terms energy: -231.534518
where:
bonds (distance) C4'-P energy: -41.471
bonds (distance) P-C4' energy: -54.345
flat angles C4'-P-C4' energy: -49.194
flat angles P-C4'-P energy: -31.342
tors. eta vs tors. theta energy: -55.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -681.844863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.844863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.844863 (E_RNA)
where:
Base-Base interactions energy: -461.118
where: short stacking energy: -191.894
Base-Backbone interact. energy: 2.521
local terms energy: -223.247885
where:
bonds (distance) C4'-P energy: -38.979
bonds (distance) P-C4' energy: -44.220
flat angles C4'-P-C4' energy: -52.501
flat angles P-C4'-P energy: -41.160
tors. eta vs tors. theta energy: -46.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -719.478405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.478405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.478405 (E_RNA)
where:
Base-Base interactions energy: -508.596
where: short stacking energy: -210.723
Base-Backbone interact. energy: -1.232
local terms energy: -209.650203
where:
bonds (distance) C4'-P energy: -39.830
bonds (distance) P-C4' energy: -34.146
flat angles C4'-P-C4' energy: -52.905
flat angles P-C4'-P energy: -30.361
tors. eta vs tors. theta energy: -52.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -353.457125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.457125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.457125 (E_RNA)
where:
Base-Base interactions energy: -193.251
where: short stacking energy: -98.340
Base-Backbone interact. energy: -1.296
local terms energy: -158.910467
where:
bonds (distance) C4'-P energy: -43.917
bonds (distance) P-C4' energy: -40.334
flat angles C4'-P-C4' energy: -45.720
flat angles P-C4'-P energy: -27.863
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -937.291584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.291584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.291584 (E_RNA)
where:
Base-Base interactions energy: -651.004
where: short stacking energy: -291.890
Base-Backbone interact. energy: 1.608
local terms energy: -287.895247
where:
bonds (distance) C4'-P energy: -50.495
bonds (distance) P-C4' energy: -53.874
flat angles C4'-P-C4' energy: -65.234
flat angles P-C4'-P energy: -33.637
tors. eta vs tors. theta energy: -84.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -935.913808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.913808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.913808 (E_RNA)
where:
Base-Base interactions energy: -654.679
where: short stacking energy: -282.087
Base-Backbone interact. energy: -0.829
local terms energy: -280.405129
where:
bonds (distance) C4'-P energy: -54.446
bonds (distance) P-C4' energy: -55.324
flat angles C4'-P-C4' energy: -51.900
flat angles P-C4'-P energy: -38.537
tors. eta vs tors. theta energy: -80.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -922.932629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.932629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.932629 (E_RNA)
where:
Base-Base interactions energy: -650.085
where: short stacking energy: -280.811
Base-Backbone interact. energy: 0.196
local terms energy: -273.043368
where:
bonds (distance) C4'-P energy: -44.195
bonds (distance) P-C4' energy: -38.709
flat angles C4'-P-C4' energy: -58.979
flat angles P-C4'-P energy: -45.503
tors. eta vs tors. theta energy: -85.657
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: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -893.317157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.317157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.317157 (E_RNA)
where:
Base-Base interactions energy: -623.317
where: short stacking energy: -284.083
Base-Backbone interact. energy: -0.642
local terms energy: -269.358005
where:
bonds (distance) C4'-P energy: -43.347
bonds (distance) P-C4' energy: -47.211
flat angles C4'-P-C4' energy: -58.476
flat angles P-C4'-P energy: -38.969
tors. eta vs tors. theta energy: -81.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -779.801576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.801576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.801576 (E_RNA)
where:
Base-Base interactions energy: -530.518
where: short stacking energy: -224.023
Base-Backbone interact. energy: -1.288
local terms energy: -247.995152
where:
bonds (distance) C4'-P energy: -48.055
bonds (distance) P-C4' energy: -48.837
flat angles C4'-P-C4' energy: -49.178
flat angles P-C4'-P energy: -37.089
tors. eta vs tors. theta energy: -64.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -746.755761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.755761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.755761 (E_RNA)
where:
Base-Base interactions energy: -517.797
where: short stacking energy: -229.334
Base-Backbone interact. energy: -0.885
local terms energy: -228.073882
where:
bonds (distance) C4'-P energy: -45.359
bonds (distance) P-C4' energy: -45.954
flat angles C4'-P-C4' energy: -47.422
flat angles P-C4'-P energy: -28.364
tors. eta vs tors. theta energy: -60.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -794.825024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.825024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.825024 (E_RNA)
where:
Base-Base interactions energy: -549.899
where: short stacking energy: -244.351
Base-Backbone interact. energy: -1.108
local terms energy: -243.818501
where:
bonds (distance) C4'-P energy: -43.157
bonds (distance) P-C4' energy: -46.004
flat angles C4'-P-C4' energy: -56.345
flat angles P-C4'-P energy: -34.115
tors. eta vs tors. theta energy: -64.197
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: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -744.477600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.477600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.477600 (E_RNA)
where:
Base-Base interactions energy: -508.685
where: short stacking energy: -203.017
Base-Backbone interact. energy: -1.285
local terms energy: -234.507126
where:
bonds (distance) C4'-P energy: -45.238
bonds (distance) P-C4' energy: -49.145
flat angles C4'-P-C4' energy: -53.615
flat angles P-C4'-P energy: -39.337
tors. eta vs tors. theta energy: -47.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -694.340416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.340416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.340416 (E_RNA)
where:
Base-Base interactions energy: -472.024
where: short stacking energy: -174.928
Base-Backbone interact. energy: 0.564
local terms energy: -222.880748
where:
bonds (distance) C4'-P energy: -47.557
bonds (distance) P-C4' energy: -54.650
flat angles C4'-P-C4' energy: -48.852
flat angles P-C4'-P energy: -28.116
tors. eta vs tors. theta energy: -43.706
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: 65
Temperature: 1.350000
Total energy: -386.456011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.456011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.456011 (E_RNA)
where:
Base-Base interactions energy: -232.337
where: short stacking energy: -116.553
Base-Backbone interact. energy: 2.836
local terms energy: -156.954819
where:
bonds (distance) C4'-P energy: -40.008
bonds (distance) P-C4' energy: -48.864
flat angles C4'-P-C4' energy: -38.394
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -9.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -958.291409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.291409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.291409 (E_RNA)
where:
Base-Base interactions energy: -671.957
where: short stacking energy: -292.439
Base-Backbone interact. energy: -0.710
local terms energy: -285.624395
where:
bonds (distance) C4'-P energy: -47.858
bonds (distance) P-C4' energy: -52.902
flat angles C4'-P-C4' energy: -60.686
flat angles P-C4'-P energy: -39.070
tors. eta vs tors. theta energy: -85.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -941.274973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.274973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.274973 (E_RNA)
where:
Base-Base interactions energy: -666.996
where: short stacking energy: -290.454
Base-Backbone interact. energy: -0.955
local terms energy: -273.323620
where:
bonds (distance) C4'-P energy: -37.934
bonds (distance) P-C4' energy: -47.250
flat angles C4'-P-C4' energy: -58.675
flat angles P-C4'-P energy: -41.760
tors. eta vs tors. theta energy: -87.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -929.524017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.524017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.524017 (E_RNA)
where:
Base-Base interactions energy: -647.577
where: short stacking energy: -282.184
Base-Backbone interact. energy: -0.925
local terms energy: -281.021992
where:
bonds (distance) C4'-P energy: -42.170
bonds (distance) P-C4' energy: -45.854
flat angles C4'-P-C4' energy: -62.453
flat angles P-C4'-P energy: -44.741
tors. eta vs tors. theta energy: -85.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -906.836871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.836871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.836871 (E_RNA)
where:
Base-Base interactions energy: -632.882
where: short stacking energy: -278.852
Base-Backbone interact. energy: -0.548
local terms energy: -273.406893
where:
bonds (distance) C4'-P energy: -45.704
bonds (distance) P-C4' energy: -49.010
flat angles C4'-P-C4' energy: -56.194
flat angles P-C4'-P energy: -38.709
tors. eta vs tors. theta energy: -83.789
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: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -790.596900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.596900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.596900 (E_RNA)
where:
Base-Base interactions energy: -527.376
where: short stacking energy: -236.578
Base-Backbone interact. energy: -0.738
local terms energy: -262.483576
where:
bonds (distance) C4'-P energy: -56.945
bonds (distance) P-C4' energy: -46.604
flat angles C4'-P-C4' energy: -51.786
flat angles P-C4'-P energy: -40.170
tors. eta vs tors. theta energy: -66.978
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: 9
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -758.849160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.849160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.849160 (E_RNA)
where:
Base-Base interactions energy: -518.101
where: short stacking energy: -236.419
Base-Backbone interact. energy: 1.305
local terms energy: -242.052953
where:
bonds (distance) C4'-P energy: -46.345
bonds (distance) P-C4' energy: -49.600
flat angles C4'-P-C4' energy: -48.984
flat angles P-C4'-P energy: -31.942
tors. eta vs tors. theta energy: -65.182
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: 4
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -775.074795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.074795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.074795 (E_RNA)
where:
Base-Base interactions energy: -533.727
where: short stacking energy: -237.245
Base-Backbone interact. energy: -0.704
local terms energy: -240.643155
where:
bonds (distance) C4'-P energy: -38.151
bonds (distance) P-C4' energy: -44.472
flat angles C4'-P-C4' energy: -54.867
flat angles P-C4'-P energy: -33.959
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: 8, replica: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -717.504144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.504144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.504144 (E_RNA)
where:
Base-Base interactions energy: -499.534
where: short stacking energy: -211.581
Base-Backbone interact. energy: -1.225
local terms energy: -216.745616
where:
bonds (distance) C4'-P energy: -42.341
bonds (distance) P-C4' energy: -53.296
flat angles C4'-P-C4' energy: -43.667
flat angles P-C4'-P energy: -32.160
tors. eta vs tors. theta energy: -45.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -631.904429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.904429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.904429 (E_RNA)
where:
Base-Base interactions energy: -433.128
where: short stacking energy: -183.060
Base-Backbone interact. energy: 1.388
local terms energy: -200.164663
where:
bonds (distance) C4'-P energy: -38.347
bonds (distance) P-C4' energy: -41.321
flat angles C4'-P-C4' energy: -50.362
flat angles P-C4'-P energy: -25.780
tors. eta vs tors. theta energy: -44.354
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: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -393.956833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.956833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.956833 (E_RNA)
where:
Base-Base interactions energy: -229.371
where: short stacking energy: -115.714
Base-Backbone interact. energy: 0.223
local terms energy: -164.809250
where:
bonds (distance) C4'-P energy: -43.091
bonds (distance) P-C4' energy: -40.610
flat angles C4'-P-C4' energy: -37.917
flat angles P-C4'-P energy: -27.555
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -963.423773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.423773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.423773 (E_RNA)
where:
Base-Base interactions energy: -655.374
where: short stacking energy: -288.885
Base-Backbone interact. energy: -0.844
local terms energy: -307.205400
where:
bonds (distance) C4'-P energy: -59.354
bonds (distance) P-C4' energy: -57.434
flat angles C4'-P-C4' energy: -62.766
flat angles P-C4'-P energy: -38.408
tors. eta vs tors. theta energy: -89.244
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: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -933.247032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.247032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.247032 (E_RNA)
where:
Base-Base interactions energy: -652.048
where: short stacking energy: -283.828
Base-Backbone interact. energy: 0.356
local terms energy: -281.554639
where:
bonds (distance) C4'-P energy: -50.492
bonds (distance) P-C4' energy: -49.140
flat angles C4'-P-C4' energy: -57.347
flat angles P-C4'-P energy: -35.507
tors. eta vs tors. theta energy: -89.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -919.165044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.165044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.165044 (E_RNA)
where:
Base-Base interactions energy: -635.235
where: short stacking energy: -288.918
Base-Backbone interact. energy: -1.706
local terms energy: -282.223974
where:
bonds (distance) C4'-P energy: -51.841
bonds (distance) P-C4' energy: -54.016
flat angles C4'-P-C4' energy: -57.115
flat angles P-C4'-P energy: -35.212
tors. eta vs tors. theta energy: -84.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -884.611118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.611118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.611118 (E_RNA)
where:
Base-Base interactions energy: -622.103
where: short stacking energy: -255.594
Base-Backbone interact. energy: -0.706
local terms energy: -261.802879
where:
bonds (distance) C4'-P energy: -45.191
bonds (distance) P-C4' energy: -54.157
flat angles C4'-P-C4' energy: -50.737
flat angles P-C4'-P energy: -36.141
tors. eta vs tors. theta energy: -75.576
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: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -796.511684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.511684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.511684 (E_RNA)
where:
Base-Base interactions energy: -537.495
where: short stacking energy: -223.563
Base-Backbone interact. energy: -0.874
local terms energy: -258.142470
where:
bonds (distance) C4'-P energy: -46.008
bonds (distance) P-C4' energy: -49.990
flat angles C4'-P-C4' energy: -58.212
flat angles P-C4'-P energy: -38.557
tors. eta vs tors. theta energy: -65.375
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: 6, replica: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -803.500943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.500943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.500943 (E_RNA)
where:
Base-Base interactions energy: -545.835
where: short stacking energy: -240.935
Base-Backbone interact. energy: -0.399
local terms energy: -257.267417
where:
bonds (distance) C4'-P energy: -36.738
bonds (distance) P-C4' energy: -54.847
flat angles C4'-P-C4' energy: -59.497
flat angles P-C4'-P energy: -38.601
tors. eta vs tors. theta energy: -67.584
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: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -761.545426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.545426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.545426 (E_RNA)
where:
Base-Base interactions energy: -539.647
where: short stacking energy: -209.197
Base-Backbone interact. energy: 1.949
local terms energy: -223.846631
where:
bonds (distance) C4'-P energy: -32.251
bonds (distance) P-C4' energy: -49.676
flat angles C4'-P-C4' energy: -43.639
flat angles P-C4'-P energy: -36.618
tors. eta vs tors. theta energy: -61.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -731.400251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.400251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.400251 (E_RNA)
where:
Base-Base interactions energy: -495.537
where: short stacking energy: -209.542
Base-Backbone interact. energy: -1.210
local terms energy: -234.653179
where:
bonds (distance) C4'-P energy: -44.772
bonds (distance) P-C4' energy: -42.257
flat angles C4'-P-C4' energy: -47.427
flat angles P-C4'-P energy: -39.838
tors. eta vs tors. theta energy: -60.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -618.862158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.862158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.862158 (E_RNA)
where:
Base-Base interactions energy: -413.693
where: short stacking energy: -171.868
Base-Backbone interact. energy: 2.465
local terms energy: -207.634727
where:
bonds (distance) C4'-P energy: -43.590
bonds (distance) P-C4' energy: -48.009
flat angles C4'-P-C4' energy: -44.799
flat angles P-C4'-P energy: -32.260
tors. eta vs tors. theta energy: -38.977
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: 67
Temperature: 1.350000
Total energy: -358.303744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.303744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.303744 (E_RNA)
where:
Base-Base interactions energy: -193.295
where: short stacking energy: -103.968
Base-Backbone interact. energy: 2.769
local terms energy: -167.777575
where:
bonds (distance) C4'-P energy: -43.836
bonds (distance) P-C4' energy: -53.780
flat angles C4'-P-C4' energy: -37.913
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -16.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -946.114574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.114574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.114574 (E_RNA)
where:
Base-Base interactions energy: -656.829
where: short stacking energy: -283.168
Base-Backbone interact. energy: -0.949
local terms energy: -288.337257
where:
bonds (distance) C4'-P energy: -52.853
bonds (distance) P-C4' energy: -54.738
flat angles C4'-P-C4' energy: -59.860
flat angles P-C4'-P energy: -36.649
tors. eta vs tors. theta energy: -84.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -925.658001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.658001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.658001 (E_RNA)
where:
Base-Base interactions energy: -645.646
where: short stacking energy: -280.212
Base-Backbone interact. energy: -0.670
local terms energy: -279.341766
where:
bonds (distance) C4'-P energy: -50.161
bonds (distance) P-C4' energy: -50.104
flat angles C4'-P-C4' energy: -63.223
flat angles P-C4'-P energy: -36.249
tors. eta vs tors. theta energy: -79.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -910.856328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.856328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.856328 (E_RNA)
where:
Base-Base interactions energy: -618.509
where: short stacking energy: -272.757
Base-Backbone interact. energy: -0.185
local terms energy: -292.163208
where:
bonds (distance) C4'-P energy: -57.596
bonds (distance) P-C4' energy: -47.358
flat angles C4'-P-C4' energy: -61.552
flat angles P-C4'-P energy: -43.822
tors. eta vs tors. theta energy: -81.835
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: 6
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -890.982513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.982513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.982513 (E_RNA)
where:
Base-Base interactions energy: -613.263
where: short stacking energy: -270.742
Base-Backbone interact. energy: -1.543
local terms energy: -276.176906
where:
bonds (distance) C4'-P energy: -51.151
bonds (distance) P-C4' energy: -49.347
flat angles C4'-P-C4' energy: -52.239
flat angles P-C4'-P energy: -37.605
tors. eta vs tors. theta energy: -85.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -804.366529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.366529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.366529 (E_RNA)
where:
Base-Base interactions energy: -555.683
where: short stacking energy: -251.664
Base-Backbone interact. energy: -1.414
local terms energy: -247.268870
where:
bonds (distance) C4'-P energy: -46.381
bonds (distance) P-C4' energy: -53.496
flat angles C4'-P-C4' energy: -51.753
flat angles P-C4'-P energy: -32.303
tors. eta vs tors. theta energy: -63.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -775.619556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.619556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.619556 (E_RNA)
where:
Base-Base interactions energy: -531.056
where: short stacking energy: -223.865
Base-Backbone interact. energy: 0.819
local terms energy: -245.383209
where:
bonds (distance) C4'-P energy: -45.882
bonds (distance) P-C4' energy: -48.505
flat angles C4'-P-C4' energy: -55.215
flat angles P-C4'-P energy: -35.155
tors. eta vs tors. theta energy: -60.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -763.204063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.204063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.204063 (E_RNA)
where:
Base-Base interactions energy: -528.951
where: short stacking energy: -219.607
Base-Backbone interact. energy: -1.039
local terms energy: -233.214478
where:
bonds (distance) C4'-P energy: -40.316
bonds (distance) P-C4' energy: -44.656
flat angles C4'-P-C4' energy: -46.330
flat angles P-C4'-P energy: -39.330
tors. eta vs tors. theta energy: -62.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -759.614058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.614058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.614058 (E_RNA)
where:
Base-Base interactions energy: -518.814
where: short stacking energy: -222.189
Base-Backbone interact. energy: -0.499
local terms energy: -240.301684
where:
bonds (distance) C4'-P energy: -52.071
bonds (distance) P-C4' energy: -41.883
flat angles C4'-P-C4' energy: -46.724
flat angles P-C4'-P energy: -33.900
tors. eta vs tors. theta energy: -65.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -625.966431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.966431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.966431 (E_RNA)
where:
Base-Base interactions energy: -435.184
where: short stacking energy: -183.627
Base-Backbone interact. energy: -0.550
local terms energy: -190.232366
where:
bonds (distance) C4'-P energy: -32.640
bonds (distance) P-C4' energy: -53.296
flat angles C4'-P-C4' energy: -41.291
flat angles P-C4'-P energy: -27.337
tors. eta vs tors. theta energy: -35.668
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: 68
Temperature: 1.350000
Total energy: -357.705748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.705748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.705748 (E_RNA)
where:
Base-Base interactions energy: -216.551
where: short stacking energy: -109.211
Base-Backbone interact. energy: 0.398
local terms energy: -141.552219
where:
bonds (distance) C4'-P energy: -35.556
bonds (distance) P-C4' energy: -56.421
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -24.377
tors. eta vs tors. theta energy: -11.308
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: 2
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -970.007114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.007114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.007114 (E_RNA)
where:
Base-Base interactions energy: -669.464
where: short stacking energy: -291.028
Base-Backbone interact. energy: -1.114
local terms energy: -299.428775
where:
bonds (distance) C4'-P energy: -53.559
bonds (distance) P-C4' energy: -55.821
flat angles C4'-P-C4' energy: -62.410
flat angles P-C4'-P energy: -39.395
tors. eta vs tors. theta energy: -88.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -939.997184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.997184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.997184 (E_RNA)
where:
Base-Base interactions energy: -653.791
where: short stacking energy: -286.203
Base-Backbone interact. energy: -0.910
local terms energy: -285.295956
where:
bonds (distance) C4'-P energy: -49.399
bonds (distance) P-C4' energy: -49.604
flat angles C4'-P-C4' energy: -60.204
flat angles P-C4'-P energy: -39.538
tors. eta vs tors. theta energy: -86.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -916.256116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.256116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.256116 (E_RNA)
where:
Base-Base interactions energy: -637.192
where: short stacking energy: -282.440
Base-Backbone interact. energy: -1.536
local terms energy: -277.528239
where:
bonds (distance) C4'-P energy: -40.105
bonds (distance) P-C4' energy: -48.120
flat angles C4'-P-C4' energy: -57.126
flat angles P-C4'-P energy: -41.995
tors. eta vs tors. theta energy: -90.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -880.526264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.526264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.526264 (E_RNA)
where:
Base-Base interactions energy: -620.268
where: short stacking energy: -249.578
Base-Backbone interact. energy: -1.351
local terms energy: -258.906678
where:
bonds (distance) C4'-P energy: -52.416
bonds (distance) P-C4' energy: -52.317
flat angles C4'-P-C4' energy: -50.295
flat angles P-C4'-P energy: -30.996
tors. eta vs tors. theta energy: -72.883
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: 8
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -793.324404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.324404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.324404 (E_RNA)
where:
Base-Base interactions energy: -541.856
where: short stacking energy: -246.718
Base-Backbone interact. energy: 0.497
local terms energy: -251.965043
where:
bonds (distance) C4'-P energy: -39.103
bonds (distance) P-C4' energy: -52.230
flat angles C4'-P-C4' energy: -56.190
flat angles P-C4'-P energy: -36.335
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: 6, replica: 4
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -785.374135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.374135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.374135 (E_RNA)
where:
Base-Base interactions energy: -548.997
where: short stacking energy: -237.634
Base-Backbone interact. energy: -0.761
local terms energy: -235.616251
where:
bonds (distance) C4'-P energy: -43.208
bonds (distance) P-C4' energy: -57.093
flat angles C4'-P-C4' energy: -48.714
flat angles P-C4'-P energy: -21.799
tors. eta vs tors. theta energy: -64.802
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: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -742.932198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.932198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.932198 (E_RNA)
where:
Base-Base interactions energy: -492.852
where: short stacking energy: -214.994
Base-Backbone interact. energy: -0.405
local terms energy: -249.674645
where:
bonds (distance) C4'-P energy: -56.599
bonds (distance) P-C4' energy: -40.525
flat angles C4'-P-C4' energy: -56.368
flat angles P-C4'-P energy: -32.986
tors. eta vs tors. theta energy: -63.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -719.817481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.817481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.817481 (E_RNA)
where:
Base-Base interactions energy: -483.350
where: short stacking energy: -223.210
Base-Backbone interact. energy: -1.050
local terms energy: -235.417767
where:
bonds (distance) C4'-P energy: -44.169
bonds (distance) P-C4' energy: -36.514
flat angles C4'-P-C4' energy: -51.738
flat angles P-C4'-P energy: -34.838
tors. eta vs tors. theta energy: -68.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -591.411817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.411817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.411817 (E_RNA)
where:
Base-Base interactions energy: -389.773
where: short stacking energy: -167.385
Base-Backbone interact. energy: -0.922
local terms energy: -200.717007
where:
bonds (distance) C4'-P energy: -54.391
bonds (distance) P-C4' energy: -41.567
flat angles C4'-P-C4' energy: -50.215
flat angles P-C4'-P energy: -20.699
tors. eta vs tors. theta energy: -33.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -371.310944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.310944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.310944 (E_RNA)
where:
Base-Base interactions energy: -200.129
where: short stacking energy: -107.820
Base-Backbone interact. energy: 0.218
local terms energy: -171.400588
where:
bonds (distance) C4'-P energy: -49.012
bonds (distance) P-C4' energy: -52.253
flat angles C4'-P-C4' energy: -39.492
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -10.052
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: 70
Temperature: 0.900000
Total energy: -966.798683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.798683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.798683 (E_RNA)
where:
Base-Base interactions energy: -668.989
where: short stacking energy: -292.237
Base-Backbone interact. energy: -0.352
local terms energy: -297.457372
where:
bonds (distance) C4'-P energy: -51.928
bonds (distance) P-C4' energy: -53.959
flat angles C4'-P-C4' energy: -61.079
flat angles P-C4'-P energy: -44.376
tors. eta vs tors. theta energy: -86.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -925.036087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.036087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.036087 (E_RNA)
where:
Base-Base interactions energy: -641.816
where: short stacking energy: -273.395
Base-Backbone interact. energy: -0.534
local terms energy: -282.686211
where:
bonds (distance) C4'-P energy: -49.487
bonds (distance) P-C4' energy: -60.026
flat angles C4'-P-C4' energy: -54.728
flat angles P-C4'-P energy: -37.838
tors. eta vs tors. theta energy: -80.608
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: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -920.700309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.700309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.700309 (E_RNA)
where:
Base-Base interactions energy: -631.168
where: short stacking energy: -278.013
Base-Backbone interact. energy: -0.447
local terms energy: -289.085827
where:
bonds (distance) C4'-P energy: -49.586
bonds (distance) P-C4' energy: -56.536
flat angles C4'-P-C4' energy: -58.110
flat angles P-C4'-P energy: -39.556
tors. eta vs tors. theta energy: -85.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -869.936351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.936351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.936351 (E_RNA)
where:
Base-Base interactions energy: -609.613
where: short stacking energy: -244.936
Base-Backbone interact. energy: -2.026
local terms energy: -258.297885
where:
bonds (distance) C4'-P energy: -46.973
bonds (distance) P-C4' energy: -51.454
flat angles C4'-P-C4' energy: -53.313
flat angles P-C4'-P energy: -29.518
tors. eta vs tors. theta energy: -77.040
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: 8
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -800.067334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.067334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.067334 (E_RNA)
where:
Base-Base interactions energy: -543.937
where: short stacking energy: -228.434
Base-Backbone interact. energy: -0.506
local terms energy: -255.624426
where:
bonds (distance) C4'-P energy: -53.626
bonds (distance) P-C4' energy: -46.024
flat angles C4'-P-C4' energy: -56.993
flat angles P-C4'-P energy: -39.366
tors. eta vs tors. theta energy: -59.616
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: 6, replica: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -783.966367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.966367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.966367 (E_RNA)
where:
Base-Base interactions energy: -532.402
where: short stacking energy: -223.109
Base-Backbone interact. energy: 1.229
local terms energy: -252.793392
where:
bonds (distance) C4'-P energy: -45.382
bonds (distance) P-C4' energy: -50.607
flat angles C4'-P-C4' energy: -53.958
flat angles P-C4'-P energy: -37.525
tors. eta vs tors. theta energy: -65.321
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: 5
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -783.434670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.434670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.434670 (E_RNA)
where:
Base-Base interactions energy: -529.048
where: short stacking energy: -238.576
Base-Backbone interact. energy: 0.087
local terms energy: -254.474031
where:
bonds (distance) C4'-P energy: -53.047
bonds (distance) P-C4' energy: -50.274
flat angles C4'-P-C4' energy: -48.758
flat angles P-C4'-P energy: -25.640
tors. eta vs tors. theta energy: -76.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -715.377404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.377404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.377404 (E_RNA)
where:
Base-Base interactions energy: -495.211
where: short stacking energy: -207.670
Base-Backbone interact. energy: -0.472
local terms energy: -219.694283
where:
bonds (distance) C4'-P energy: -36.180
bonds (distance) P-C4' energy: -43.040
flat angles C4'-P-C4' energy: -51.409
flat angles P-C4'-P energy: -35.371
tors. eta vs tors. theta energy: -53.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -557.570539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.570539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.570539 (E_RNA)
where:
Base-Base interactions energy: -367.298
where: short stacking energy: -164.506
Base-Backbone interact. energy: -0.876
local terms energy: -189.396360
where:
bonds (distance) C4'-P energy: -40.670
bonds (distance) P-C4' energy: -48.262
flat angles C4'-P-C4' energy: -44.716
flat angles P-C4'-P energy: -27.937
tors. eta vs tors. theta energy: -27.811
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: 10, replica: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -369.176082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.176082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.176082 (E_RNA)
where:
Base-Base interactions energy: -198.945
where: short stacking energy: -90.414
Base-Backbone interact. energy: -0.671
local terms energy: -169.560095
where:
bonds (distance) C4'-P energy: -42.263
bonds (distance) P-C4' energy: -43.182
flat angles C4'-P-C4' energy: -51.100
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -10.667
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: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -948.511508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.511508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.511508 (E_RNA)
where:
Base-Base interactions energy: -653.574
where: short stacking energy: -289.793
Base-Backbone interact. energy: -0.827
local terms energy: -294.109604
where:
bonds (distance) C4'-P energy: -41.574
bonds (distance) P-C4' energy: -62.018
flat angles C4'-P-C4' energy: -57.188
flat angles P-C4'-P energy: -42.948
tors. eta vs tors. theta energy: -90.381
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: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -936.137324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.137324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.137324 (E_RNA)
where:
Base-Base interactions energy: -644.555
where: short stacking energy: -282.476
Base-Backbone interact. energy: -0.436
local terms energy: -291.145907
where:
bonds (distance) C4'-P energy: -49.123
bonds (distance) P-C4' energy: -58.490
flat angles C4'-P-C4' energy: -54.789
flat angles P-C4'-P energy: -45.303
tors. eta vs tors. theta energy: -83.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -918.992761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.992761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.992761 (E_RNA)
where:
Base-Base interactions energy: -632.629
where: short stacking energy: -276.514
Base-Backbone interact. energy: -1.348
local terms energy: -285.016123
where:
bonds (distance) C4'-P energy: -47.691
bonds (distance) P-C4' energy: -45.168
flat angles C4'-P-C4' energy: -61.626
flat angles P-C4'-P energy: -41.915
tors. eta vs tors. theta energy: -88.617
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: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -817.724861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.724861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.724861 (E_RNA)
where:
Base-Base interactions energy: -555.384
where: short stacking energy: -234.782
Base-Backbone interact. energy: 1.132
local terms energy: -263.472901
where:
bonds (distance) C4'-P energy: -52.867
bonds (distance) P-C4' energy: -50.937
flat angles C4'-P-C4' energy: -51.856
flat angles P-C4'-P energy: -38.642
tors. eta vs tors. theta energy: -69.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -830.107799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.107799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.107799 (E_RNA)
where:
Base-Base interactions energy: -578.830
where: short stacking energy: -228.991
Base-Backbone interact. energy: -1.165
local terms energy: -250.113083
where:
bonds (distance) C4'-P energy: -42.313
bonds (distance) P-C4' energy: -51.378
flat angles C4'-P-C4' energy: -48.360
flat angles P-C4'-P energy: -39.824
tors. eta vs tors. theta energy: -68.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -780.793384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.793384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.793384 (E_RNA)
where:
Base-Base interactions energy: -538.519
where: short stacking energy: -236.744
Base-Backbone interact. energy: -0.883
local terms energy: -241.392057
where:
bonds (distance) C4'-P energy: -43.347
bonds (distance) P-C4' energy: -49.105
flat angles C4'-P-C4' energy: -51.319
flat angles P-C4'-P energy: -35.878
tors. eta vs tors. theta energy: -61.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -736.768754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.768754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.768754 (E_RNA)
where:
Base-Base interactions energy: -506.230
where: short stacking energy: -225.162
Base-Backbone interact. energy: 1.304
local terms energy: -231.842597
where:
bonds (distance) C4'-P energy: -39.233
bonds (distance) P-C4' energy: -40.722
flat angles C4'-P-C4' energy: -56.972
flat angles P-C4'-P energy: -29.617
tors. eta vs tors. theta energy: -65.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -717.336252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.336252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.336252 (E_RNA)
where:
Base-Base interactions energy: -490.511
where: short stacking energy: -205.110
Base-Backbone interact. energy: -1.542
local terms energy: -225.283264
where:
bonds (distance) C4'-P energy: -35.003
bonds (distance) P-C4' energy: -56.581
flat angles C4'-P-C4' energy: -50.722
flat angles P-C4'-P energy: -28.527
tors. eta vs tors. theta energy: -54.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -558.392350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.392350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.392350 (E_RNA)
where:
Base-Base interactions energy: -368.086
where: short stacking energy: -148.842
Base-Backbone interact. energy: 2.170
local terms energy: -192.476450
where:
bonds (distance) C4'-P energy: -35.666
bonds (distance) P-C4' energy: -51.802
flat angles C4'-P-C4' energy: -49.736
flat angles P-C4'-P energy: -21.706
tors. eta vs tors. theta energy: -33.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -367.710031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.710031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.710031 (E_RNA)
where:
Base-Base interactions energy: -208.211
where: short stacking energy: -101.404
Base-Backbone interact. energy: 1.082
local terms energy: -160.581270
where:
bonds (distance) C4'-P energy: -48.660
bonds (distance) P-C4' energy: -50.369
flat angles C4'-P-C4' energy: -36.454
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -12.572
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: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -964.637172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.637172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.637172 (E_RNA)
where:
Base-Base interactions energy: -658.275
where: short stacking energy: -298.087
Base-Backbone interact. energy: -0.377
local terms energy: -305.984837
where:
bonds (distance) C4'-P energy: -53.358
bonds (distance) P-C4' energy: -59.555
flat angles C4'-P-C4' energy: -60.666
flat angles P-C4'-P energy: -45.187
tors. eta vs tors. theta energy: -87.218
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: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -929.865091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.865091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.865091 (E_RNA)
where:
Base-Base interactions energy: -638.489
where: short stacking energy: -279.355
Base-Backbone interact. energy: 0.928
local terms energy: -292.304709
where:
bonds (distance) C4'-P energy: -57.434
bonds (distance) P-C4' energy: -51.551
flat angles C4'-P-C4' energy: -59.743
flat angles P-C4'-P energy: -42.182
tors. eta vs tors. theta energy: -81.394
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: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -929.204071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.204071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.204071 (E_RNA)
where:
Base-Base interactions energy: -641.922
where: short stacking energy: -284.739
Base-Backbone interact. energy: -0.531
local terms energy: -286.751695
where:
bonds (distance) C4'-P energy: -49.540
bonds (distance) P-C4' energy: -56.807
flat angles C4'-P-C4' energy: -59.268
flat angles P-C4'-P energy: -39.150
tors. eta vs tors. theta energy: -81.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -853.571930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.571930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.571930 (E_RNA)
where:
Base-Base interactions energy: -586.760
where: short stacking energy: -241.889
Base-Backbone interact. energy: -0.325
local terms energy: -266.487292
where:
bonds (distance) C4'-P energy: -43.033
bonds (distance) P-C4' energy: -52.590
flat angles C4'-P-C4' energy: -58.987
flat angles P-C4'-P energy: -41.072
tors. eta vs tors. theta energy: -70.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -838.150964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.150964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.150964 (E_RNA)
where:
Base-Base interactions energy: -572.500
where: short stacking energy: -237.634
Base-Backbone interact. energy: 0.741
local terms energy: -266.391601
where:
bonds (distance) C4'-P energy: -53.205
bonds (distance) P-C4' energy: -54.555
flat angles C4'-P-C4' energy: -54.204
flat angles P-C4'-P energy: -38.873
tors. eta vs tors. theta energy: -65.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -787.187127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.187127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.187127 (E_RNA)
where:
Base-Base interactions energy: -533.058
where: short stacking energy: -226.515
Base-Backbone interact. energy: 0.735
local terms energy: -254.864177
where:
bonds (distance) C4'-P energy: -45.374
bonds (distance) P-C4' energy: -49.582
flat angles C4'-P-C4' energy: -51.433
flat angles P-C4'-P energy: -34.004
tors. eta vs tors. theta energy: -74.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -724.010221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.010221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.010221 (E_RNA)
where:
Base-Base interactions energy: -485.010
where: short stacking energy: -207.901
Base-Backbone interact. energy: -0.272
local terms energy: -238.728514
where:
bonds (distance) C4'-P energy: -40.509
bonds (distance) P-C4' energy: -49.689
flat angles C4'-P-C4' energy: -48.184
flat angles P-C4'-P energy: -39.193
tors. eta vs tors. theta energy: -61.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -734.993398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.993398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.993398 (E_RNA)
where:
Base-Base interactions energy: -499.158
where: short stacking energy: -212.268
Base-Backbone interact. energy: -0.308
local terms energy: -235.527875
where:
bonds (distance) C4'-P energy: -39.387
bonds (distance) P-C4' energy: -50.337
flat angles C4'-P-C4' energy: -51.708
flat angles P-C4'-P energy: -33.367
tors. eta vs tors. theta energy: -60.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -543.267564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.267564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.267564 (E_RNA)
where:
Base-Base interactions energy: -361.467
where: short stacking energy: -156.628
Base-Backbone interact. energy: -1.559
local terms energy: -180.241292
where:
bonds (distance) C4'-P energy: -36.848
bonds (distance) P-C4' energy: -53.569
flat angles C4'-P-C4' energy: -45.028
flat angles P-C4'-P energy: -19.428
tors. eta vs tors. theta energy: -25.368
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: 72
Temperature: 1.350000
Total energy: -341.058328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.058328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.058328 (E_RNA)
where:
Base-Base interactions energy: -184.634
where: short stacking energy: -106.479
Base-Backbone interact. energy: -0.719
local terms energy: -155.704724
where:
bonds (distance) C4'-P energy: -38.003
bonds (distance) P-C4' energy: -43.674
flat angles C4'-P-C4' energy: -36.302
flat angles P-C4'-P energy: -34.059
tors. eta vs tors. theta energy: -3.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -974.141909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.141909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.141909 (E_RNA)
where:
Base-Base interactions energy: -664.550
where: short stacking energy: -290.925
Base-Backbone interact. energy: -0.710
local terms energy: -308.881911
where:
bonds (distance) C4'-P energy: -54.906
bonds (distance) P-C4' energy: -56.828
flat angles C4'-P-C4' energy: -60.347
flat angles P-C4'-P energy: -45.870
tors. eta vs tors. theta energy: -90.931
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: 73
Temperature: 0.950000
Total energy: -931.825164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.825164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.825164 (E_RNA)
where:
Base-Base interactions energy: -642.388
where: short stacking energy: -292.551
Base-Backbone interact. energy: -0.857
local terms energy: -288.580183
where:
bonds (distance) C4'-P energy: -51.517
bonds (distance) P-C4' energy: -41.813
flat angles C4'-P-C4' energy: -66.639
flat angles P-C4'-P energy: -40.114
tors. eta vs tors. theta energy: -88.497
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: 3, replica: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -909.134476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.134476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.134476 (E_RNA)
where:
Base-Base interactions energy: -627.056
where: short stacking energy: -267.379
Base-Backbone interact. energy: -1.170
local terms energy: -280.908662
where:
bonds (distance) C4'-P energy: -56.859
bonds (distance) P-C4' energy: -45.200
flat angles C4'-P-C4' energy: -56.896
flat angles P-C4'-P energy: -42.197
tors. eta vs tors. theta energy: -79.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -855.227421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.227421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.227421 (E_RNA)
where:
Base-Base interactions energy: -581.861
where: short stacking energy: -248.345
Base-Backbone interact. energy: -0.287
local terms energy: -273.079124
where:
bonds (distance) C4'-P energy: -52.510
bonds (distance) P-C4' energy: -54.629
flat angles C4'-P-C4' energy: -56.258
flat angles P-C4'-P energy: -35.104
tors. eta vs tors. theta energy: -74.579
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: 73
Temperature: 1.100000
Total energy: -835.768132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.768132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.768132 (E_RNA)
where:
Base-Base interactions energy: -585.092
where: short stacking energy: -258.727
Base-Backbone interact. energy: -0.811
local terms energy: -249.864579
where:
bonds (distance) C4'-P energy: -43.246
bonds (distance) P-C4' energy: -48.420
flat angles C4'-P-C4' energy: -54.094
flat angles P-C4'-P energy: -29.051
tors. eta vs tors. theta energy: -75.053
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: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -765.328798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.328798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.328798 (E_RNA)
where:
Base-Base interactions energy: -530.833
where: short stacking energy: -229.776
Base-Backbone interact. energy: -0.445
local terms energy: -234.050500
where:
bonds (distance) C4'-P energy: -52.584
bonds (distance) P-C4' energy: -40.377
flat angles C4'-P-C4' energy: -49.165
flat angles P-C4'-P energy: -30.920
tors. eta vs tors. theta energy: -61.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -766.221254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.221254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.221254 (E_RNA)
where:
Base-Base interactions energy: -535.859
where: short stacking energy: -231.586
Base-Backbone interact. energy: -0.590
local terms energy: -229.772738
where:
bonds (distance) C4'-P energy: -37.372
bonds (distance) P-C4' energy: -58.684
flat angles C4'-P-C4' energy: -40.239
flat angles P-C4'-P energy: -25.154
tors. eta vs tors. theta energy: -68.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -734.084795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.084795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.084795 (E_RNA)
where:
Base-Base interactions energy: -502.121
where: short stacking energy: -204.017
Base-Backbone interact. energy: -0.542
local terms energy: -231.421958
where:
bonds (distance) C4'-P energy: -45.445
bonds (distance) P-C4' energy: -49.187
flat angles C4'-P-C4' energy: -47.347
flat angles P-C4'-P energy: -36.772
tors. eta vs tors. theta energy: -52.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -543.933473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.933473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.933473 (E_RNA)
where:
Base-Base interactions energy: -346.789
where: short stacking energy: -143.978
Base-Backbone interact. energy: -0.613
local terms energy: -196.531653
where:
bonds (distance) C4'-P energy: -40.909
bonds (distance) P-C4' energy: -51.637
flat angles C4'-P-C4' energy: -41.542
flat angles P-C4'-P energy: -26.696
tors. eta vs tors. theta energy: -35.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -354.861356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.861356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.861356 (E_RNA)
where:
Base-Base interactions energy: -190.431
where: short stacking energy: -77.554
Base-Backbone interact. energy: 0.071
local terms energy: -164.501124
where:
bonds (distance) C4'-P energy: -44.405
bonds (distance) P-C4' energy: -49.216
flat angles C4'-P-C4' energy: -42.978
flat angles P-C4'-P energy: -26.671
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -942.368037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.368037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.368037 (E_RNA)
where:
Base-Base interactions energy: -651.040
where: short stacking energy: -295.660
Base-Backbone interact. energy: 0.951
local terms energy: -292.279311
where:
bonds (distance) C4'-P energy: -44.286
bonds (distance) P-C4' energy: -53.126
flat angles C4'-P-C4' energy: -61.144
flat angles P-C4'-P energy: -46.293
tors. eta vs tors. theta energy: -87.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -944.209736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.209736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.209736 (E_RNA)
where:
Base-Base interactions energy: -644.886
where: short stacking energy: -299.627
Base-Backbone interact. energy: -2.275
local terms energy: -297.048834
where:
bonds (distance) C4'-P energy: -55.529
bonds (distance) P-C4' energy: -46.852
flat angles C4'-P-C4' energy: -60.258
flat angles P-C4'-P energy: -44.146
tors. eta vs tors. theta energy: -90.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -911.118428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.118428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.118428 (E_RNA)
where:
Base-Base interactions energy: -642.217
where: short stacking energy: -279.258
Base-Backbone interact. energy: -0.783
local terms energy: -268.118701
where:
bonds (distance) C4'-P energy: -37.935
bonds (distance) P-C4' energy: -48.221
flat angles C4'-P-C4' energy: -63.859
flat angles P-C4'-P energy: -37.130
tors. eta vs tors. theta energy: -80.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -840.918325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.918325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.918325 (E_RNA)
where:
Base-Base interactions energy: -573.703
where: short stacking energy: -233.825
Base-Backbone interact. energy: 0.110
local terms energy: -267.325369
where:
bonds (distance) C4'-P energy: -50.067
bonds (distance) P-C4' energy: -52.460
flat angles C4'-P-C4' energy: -56.374
flat angles P-C4'-P energy: -40.409
tors. eta vs tors. theta energy: -68.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -872.120648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.120648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.120648 (E_RNA)
where:
Base-Base interactions energy: -611.023
where: short stacking energy: -256.505
Base-Backbone interact. energy: -1.090
local terms energy: -260.007771
where:
bonds (distance) C4'-P energy: -42.349
bonds (distance) P-C4' energy: -37.626
flat angles C4'-P-C4' energy: -63.513
flat angles P-C4'-P energy: -40.327
tors. eta vs tors. theta energy: -76.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -791.965822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.965822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.965822 (E_RNA)
where:
Base-Base interactions energy: -534.871
where: short stacking energy: -222.769
Base-Backbone interact. energy: -0.339
local terms energy: -256.755327
where:
bonds (distance) C4'-P energy: -44.468
bonds (distance) P-C4' energy: -49.740
flat angles C4'-P-C4' energy: -55.725
flat angles P-C4'-P energy: -42.187
tors. eta vs tors. theta energy: -64.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -776.511629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.511629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.511629 (E_RNA)
where:
Base-Base interactions energy: -525.041
where: short stacking energy: -219.335
Base-Backbone interact. energy: -1.916
local terms energy: -249.554585
where:
bonds (distance) C4'-P energy: -43.187
bonds (distance) P-C4' energy: -48.159
flat angles C4'-P-C4' energy: -51.943
flat angles P-C4'-P energy: -38.511
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: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -713.442157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.442157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.442157 (E_RNA)
where:
Base-Base interactions energy: -482.416
where: short stacking energy: -205.175
Base-Backbone interact. energy: -0.749
local terms energy: -230.277931
where:
bonds (distance) C4'-P energy: -40.912
bonds (distance) P-C4' energy: -47.603
flat angles C4'-P-C4' energy: -43.643
flat angles P-C4'-P energy: -33.365
tors. eta vs tors. theta energy: -64.755
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: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -600.010600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.010600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.010600 (E_RNA)
where:
Base-Base interactions energy: -390.610
where: short stacking energy: -160.729
Base-Backbone interact. energy: -1.077
local terms energy: -208.324482
where:
bonds (distance) C4'-P energy: -43.605
bonds (distance) P-C4' energy: -46.858
flat angles C4'-P-C4' energy: -45.421
flat angles P-C4'-P energy: -38.178
tors. eta vs tors. theta energy: -34.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -346.771614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.771614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.771614 (E_RNA)
where:
Base-Base interactions energy: -187.762
where: short stacking energy: -82.763
Base-Backbone interact. energy: -0.133
local terms energy: -158.876415
where:
bonds (distance) C4'-P energy: -39.601
bonds (distance) P-C4' energy: -47.366
flat angles C4'-P-C4' energy: -42.694
flat angles P-C4'-P energy: -24.997
tors. eta vs tors. theta energy: -4.219
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: 75
Temperature: 0.900000
Total energy: -955.528404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.528404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.528404 (E_RNA)
where:
Base-Base interactions energy: -667.665
where: short stacking energy: -299.762
Base-Backbone interact. energy: 0.509
local terms energy: -288.372645
where:
bonds (distance) C4'-P energy: -46.145
bonds (distance) P-C4' energy: -50.977
flat angles C4'-P-C4' energy: -64.584
flat angles P-C4'-P energy: -39.572
tors. eta vs tors. theta energy: -87.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -950.273494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.273494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.273494 (E_RNA)
where:
Base-Base interactions energy: -647.498
where: short stacking energy: -280.433
Base-Backbone interact. energy: 0.872
local terms energy: -303.646654
where:
bonds (distance) C4'-P energy: -52.866
bonds (distance) P-C4' energy: -51.041
flat angles C4'-P-C4' energy: -61.368
flat angles P-C4'-P energy: -48.713
tors. eta vs tors. theta energy: -89.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -889.176230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.176230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.176230 (E_RNA)
where:
Base-Base interactions energy: -612.617
where: short stacking energy: -266.895
Base-Backbone interact. energy: -1.149
local terms energy: -275.410759
where:
bonds (distance) C4'-P energy: -52.331
bonds (distance) P-C4' energy: -49.337
flat angles C4'-P-C4' energy: -52.464
flat angles P-C4'-P energy: -39.145
tors. eta vs tors. theta energy: -82.134
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: 6
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -878.887660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.887660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.887660 (E_RNA)
where:
Base-Base interactions energy: -603.782
where: short stacking energy: -262.804
Base-Backbone interact. energy: -0.409
local terms energy: -274.696184
where:
bonds (distance) C4'-P energy: -44.819
bonds (distance) P-C4' energy: -56.212
flat angles C4'-P-C4' energy: -59.444
flat angles P-C4'-P energy: -38.402
tors. eta vs tors. theta energy: -75.819
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: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -823.398931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.398931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.398931 (E_RNA)
where:
Base-Base interactions energy: -572.937
where: short stacking energy: -219.576
Base-Backbone interact. energy: -0.910
local terms energy: -249.551756
where:
bonds (distance) C4'-P energy: -43.354
bonds (distance) P-C4' energy: -51.830
flat angles C4'-P-C4' energy: -51.401
flat angles P-C4'-P energy: -38.494
tors. eta vs tors. theta energy: -64.473
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: 9
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -773.257681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.257681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.257681 (E_RNA)
where:
Base-Base interactions energy: -537.922
where: short stacking energy: -228.091
Base-Backbone interact. energy: 0.493
local terms energy: -235.829144
where:
bonds (distance) C4'-P energy: -40.524
bonds (distance) P-C4' energy: -49.325
flat angles C4'-P-C4' energy: -48.293
flat angles P-C4'-P energy: -34.524
tors. eta vs tors. theta energy: -63.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -732.966098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.966098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.966098 (E_RNA)
where:
Base-Base interactions energy: -504.266
where: short stacking energy: -219.815
Base-Backbone interact. energy: -0.258
local terms energy: -228.442268
where:
bonds (distance) C4'-P energy: -36.978
bonds (distance) P-C4' energy: -43.845
flat angles C4'-P-C4' energy: -53.107
flat angles P-C4'-P energy: -30.318
tors. eta vs tors. theta energy: -64.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -684.335915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.335915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.335915 (E_RNA)
where:
Base-Base interactions energy: -459.005
where: short stacking energy: -187.581
Base-Backbone interact. energy: -0.457
local terms energy: -224.874480
where:
bonds (distance) C4'-P energy: -49.823
bonds (distance) P-C4' energy: -52.392
flat angles C4'-P-C4' energy: -45.304
flat angles P-C4'-P energy: -33.535
tors. eta vs tors. theta energy: -43.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -576.539395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.539395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.539395 (E_RNA)
where:
Base-Base interactions energy: -364.768
where: short stacking energy: -154.546
Base-Backbone interact. energy: 0.677
local terms energy: -212.447807
where:
bonds (distance) C4'-P energy: -51.353
bonds (distance) P-C4' energy: -39.795
flat angles C4'-P-C4' energy: -53.259
flat angles P-C4'-P energy: -34.698
tors. eta vs tors. theta energy: -33.342
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: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -320.043348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.043348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.043348 (E_RNA)
where:
Base-Base interactions energy: -163.707
where: short stacking energy: -90.099
Base-Backbone interact. energy: -0.899
local terms energy: -155.436647
where:
bonds (distance) C4'-P energy: -43.038
bonds (distance) P-C4' energy: -42.790
flat angles C4'-P-C4' energy: -32.235
flat angles P-C4'-P energy: -30.051
tors. eta vs tors. theta energy: -7.322
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: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -965.423866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.423866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.423866 (E_RNA)
where:
Base-Base interactions energy: -670.288
where: short stacking energy: -308.370
Base-Backbone interact. energy: 0.437
local terms energy: -295.573116
where:
bonds (distance) C4'-P energy: -48.254
bonds (distance) P-C4' energy: -51.148
flat angles C4'-P-C4' energy: -62.363
flat angles P-C4'-P energy: -44.510
tors. eta vs tors. theta energy: -89.297
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: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -932.531094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.531094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.531094 (E_RNA)
where:
Base-Base interactions energy: -644.833
where: short stacking energy: -286.508
Base-Backbone interact. energy: 0.069
local terms energy: -287.766967
where:
bonds (distance) C4'-P energy: -55.713
bonds (distance) P-C4' energy: -53.928
flat angles C4'-P-C4' energy: -58.213
flat angles P-C4'-P energy: -31.012
tors. eta vs tors. theta energy: -88.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -910.789403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.789403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.789403 (E_RNA)
where:
Base-Base interactions energy: -627.176
where: short stacking energy: -270.879
Base-Backbone interact. energy: 0.597
local terms energy: -284.209692
where:
bonds (distance) C4'-P energy: -51.130
bonds (distance) P-C4' energy: -48.279
flat angles C4'-P-C4' energy: -63.263
flat angles P-C4'-P energy: -41.650
tors. eta vs tors. theta energy: -79.888
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: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -863.429299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.429299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.429299 (E_RNA)
where:
Base-Base interactions energy: -621.628
where: short stacking energy: -266.151
Base-Backbone interact. energy: -1.472
local terms energy: -240.328984
where:
bonds (distance) C4'-P energy: -30.444
bonds (distance) P-C4' energy: -46.455
flat angles C4'-P-C4' energy: -61.664
flat angles P-C4'-P energy: -28.097
tors. eta vs tors. theta energy: -73.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -782.356712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.356712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.356712 (E_RNA)
where:
Base-Base interactions energy: -533.522
where: short stacking energy: -237.342
Base-Backbone interact. energy: -0.503
local terms energy: -248.331374
where:
bonds (distance) C4'-P energy: -37.837
bonds (distance) P-C4' energy: -53.275
flat angles C4'-P-C4' energy: -53.890
flat angles P-C4'-P energy: -37.855
tors. eta vs tors. theta energy: -65.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -782.605450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.605450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.605450 (E_RNA)
where:
Base-Base interactions energy: -551.164
where: short stacking energy: -222.521
Base-Backbone interact. energy: -0.826
local terms energy: -230.616152
where:
bonds (distance) C4'-P energy: -39.981
bonds (distance) P-C4' energy: -44.840
flat angles C4'-P-C4' energy: -48.810
flat angles P-C4'-P energy: -35.502
tors. eta vs tors. theta energy: -61.483
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: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -708.490620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.490620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.490620 (E_RNA)
where:
Base-Base interactions energy: -490.374
where: short stacking energy: -209.460
Base-Backbone interact. energy: -1.074
local terms energy: -217.042376
where:
bonds (distance) C4'-P energy: -36.782
bonds (distance) P-C4' energy: -43.754
flat angles C4'-P-C4' energy: -45.680
flat angles P-C4'-P energy: -37.662
tors. eta vs tors. theta energy: -53.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -653.949831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.949831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.949831 (E_RNA)
where:
Base-Base interactions energy: -458.417
where: short stacking energy: -191.289
Base-Backbone interact. energy: -0.152
local terms energy: -195.380397
where:
bonds (distance) C4'-P energy: -34.437
bonds (distance) P-C4' energy: -41.961
flat angles C4'-P-C4' energy: -42.155
flat angles P-C4'-P energy: -29.872
tors. eta vs tors. theta energy: -46.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -566.807856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.807856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.807856 (E_RNA)
where:
Base-Base interactions energy: -367.828
where: short stacking energy: -161.104
Base-Backbone interact. energy: -1.194
local terms energy: -197.786010
where:
bonds (distance) C4'-P energy: -50.719
bonds (distance) P-C4' energy: -36.004
flat angles C4'-P-C4' energy: -45.241
flat angles P-C4'-P energy: -32.872
tors. eta vs tors. theta energy: -32.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -302.019967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.019967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.019967 (E_RNA)
where:
Base-Base interactions energy: -146.930
where: short stacking energy: -90.129
Base-Backbone interact. energy: 0.131
local terms energy: -155.221827
where:
bonds (distance) C4'-P energy: -28.946
bonds (distance) P-C4' energy: -51.471
flat angles C4'-P-C4' energy: -41.134
flat angles P-C4'-P energy: -29.504
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -956.596368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.596368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.596368 (E_RNA)
where:
Base-Base interactions energy: -664.342
where: short stacking energy: -292.982
Base-Backbone interact. energy: -0.433
local terms energy: -291.821239
where:
bonds (distance) C4'-P energy: -53.565
bonds (distance) P-C4' energy: -52.364
flat angles C4'-P-C4' energy: -55.834
flat angles P-C4'-P energy: -44.835
tors. eta vs tors. theta energy: -85.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -920.595678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.595678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.595678 (E_RNA)
where:
Base-Base interactions energy: -641.259
where: short stacking energy: -260.512
Base-Backbone interact. energy: -1.454
local terms energy: -277.883019
where:
bonds (distance) C4'-P energy: -50.797
bonds (distance) P-C4' energy: -52.177
flat angles C4'-P-C4' energy: -56.580
flat angles P-C4'-P energy: -41.664
tors. eta vs tors. theta energy: -76.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -914.971179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.971179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.971179 (E_RNA)
where:
Base-Base interactions energy: -641.909
where: short stacking energy: -272.996
Base-Backbone interact. energy: -0.613
local terms energy: -272.448936
where:
bonds (distance) C4'-P energy: -46.205
bonds (distance) P-C4' energy: -54.826
flat angles C4'-P-C4' energy: -51.657
flat angles P-C4'-P energy: -39.876
tors. eta vs tors. theta energy: -79.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -899.973513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.973513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.973513 (E_RNA)
where:
Base-Base interactions energy: -609.097
where: short stacking energy: -264.720
Base-Backbone interact. energy: -1.047
local terms energy: -289.828729
where:
bonds (distance) C4'-P energy: -53.730
bonds (distance) P-C4' energy: -52.205
flat angles C4'-P-C4' energy: -59.202
flat angles P-C4'-P energy: -45.847
tors. eta vs tors. theta energy: -78.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -812.964385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.964385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.964385 (E_RNA)
where:
Base-Base interactions energy: -545.086
where: short stacking energy: -237.801
Base-Backbone interact. energy: -0.698
local terms energy: -267.180248
where:
bonds (distance) C4'-P energy: -52.910
bonds (distance) P-C4' energy: -53.133
flat angles C4'-P-C4' energy: -56.092
flat angles P-C4'-P energy: -39.666
tors. eta vs tors. theta energy: -65.379
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: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -761.398950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.398950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.398950 (E_RNA)
where:
Base-Base interactions energy: -528.589
where: short stacking energy: -221.299
Base-Backbone interact. energy: -0.439
local terms energy: -232.370844
where:
bonds (distance) C4'-P energy: -36.818
bonds (distance) P-C4' energy: -44.330
flat angles C4'-P-C4' energy: -44.851
flat angles P-C4'-P energy: -37.807
tors. eta vs tors. theta energy: -68.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -740.374191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.374191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.374191 (E_RNA)
where:
Base-Base interactions energy: -506.400
where: short stacking energy: -221.932
Base-Backbone interact. energy: -0.393
local terms energy: -233.581596
where:
bonds (distance) C4'-P energy: -47.168
bonds (distance) P-C4' energy: -52.973
flat angles C4'-P-C4' energy: -32.651
flat angles P-C4'-P energy: -36.421
tors. eta vs tors. theta energy: -64.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -697.193914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.193914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.193914 (E_RNA)
where:
Base-Base interactions energy: -480.714
where: short stacking energy: -212.008
Base-Backbone interact. energy: 2.339
local terms energy: -218.818797
where:
bonds (distance) C4'-P energy: -40.991
bonds (distance) P-C4' energy: -38.300
flat angles C4'-P-C4' energy: -39.558
flat angles P-C4'-P energy: -34.860
tors. eta vs tors. theta energy: -65.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -569.530479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.530479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.530479 (E_RNA)
where:
Base-Base interactions energy: -375.425
where: short stacking energy: -168.420
Base-Backbone interact. energy: -1.116
local terms energy: -192.989187
where:
bonds (distance) C4'-P energy: -43.026
bonds (distance) P-C4' energy: -46.804
flat angles C4'-P-C4' energy: -35.263
flat angles P-C4'-P energy: -27.339
tors. eta vs tors. theta energy: -40.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -262.498445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.498445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.498445 (E_RNA)
where:
Base-Base interactions energy: -137.916
where: short stacking energy: -77.792
Base-Backbone interact. energy: 9.117
local terms energy: -133.699698
where:
bonds (distance) C4'-P energy: -32.278
bonds (distance) P-C4' energy: -44.079
flat angles C4'-P-C4' energy: -30.452
flat angles P-C4'-P energy: -24.435
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -954.442177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.442177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.442177 (E_RNA)
where:
Base-Base interactions energy: -673.224
where: short stacking energy: -294.438
Base-Backbone interact. energy: -1.129
local terms energy: -280.089137
where:
bonds (distance) C4'-P energy: -37.998
bonds (distance) P-C4' energy: -61.845
flat angles C4'-P-C4' energy: -57.540
flat angles P-C4'-P energy: -33.055
tors. eta vs tors. theta energy: -89.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -922.970460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.970460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.970460 (E_RNA)
where:
Base-Base interactions energy: -648.133
where: short stacking energy: -278.760
Base-Backbone interact. energy: -0.627
local terms energy: -274.210146
where:
bonds (distance) C4'-P energy: -52.517
bonds (distance) P-C4' energy: -49.303
flat angles C4'-P-C4' energy: -53.989
flat angles P-C4'-P energy: -35.594
tors. eta vs tors. theta energy: -82.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -938.172656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.172656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.172656 (E_RNA)
where:
Base-Base interactions energy: -642.087
where: short stacking energy: -277.782
Base-Backbone interact. energy: -3.313
local terms energy: -292.772155
where:
bonds (distance) C4'-P energy: -52.259
bonds (distance) P-C4' energy: -49.683
flat angles C4'-P-C4' energy: -57.466
flat angles P-C4'-P energy: -44.343
tors. eta vs tors. theta energy: -89.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -883.952796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.952796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.952796 (E_RNA)
where:
Base-Base interactions energy: -608.795
where: short stacking energy: -255.738
Base-Backbone interact. energy: 0.453
local terms energy: -275.611662
where:
bonds (distance) C4'-P energy: -52.365
bonds (distance) P-C4' energy: -51.321
flat angles C4'-P-C4' energy: -55.243
flat angles P-C4'-P energy: -32.177
tors. eta vs tors. theta energy: -84.505
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: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -810.840139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.840139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.840139 (E_RNA)
where:
Base-Base interactions energy: -551.003
where: short stacking energy: -235.245
Base-Backbone interact. energy: 0.912
local terms energy: -260.748907
where:
bonds (distance) C4'-P energy: -52.320
bonds (distance) P-C4' energy: -52.332
flat angles C4'-P-C4' energy: -57.496
flat angles P-C4'-P energy: -33.098
tors. eta vs tors. theta energy: -65.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -771.325092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.325092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.325092 (E_RNA)
where:
Base-Base interactions energy: -526.428
where: short stacking energy: -232.819
Base-Backbone interact. energy: 0.211
local terms energy: -245.108058
where:
bonds (distance) C4'-P energy: -43.930
bonds (distance) P-C4' energy: -46.054
flat angles C4'-P-C4' energy: -50.929
flat angles P-C4'-P energy: -42.216
tors. eta vs tors. theta energy: -61.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -678.219770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.219770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.219770 (E_RNA)
where:
Base-Base interactions energy: -461.523
where: short stacking energy: -187.307
Base-Backbone interact. energy: -0.621
local terms energy: -216.075630
where:
bonds (distance) C4'-P energy: -46.509
bonds (distance) P-C4' energy: -51.263
flat angles C4'-P-C4' energy: -42.868
flat angles P-C4'-P energy: -34.548
tors. eta vs tors. theta energy: -40.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -705.170224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.170224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.170224 (E_RNA)
where:
Base-Base interactions energy: -478.224
where: short stacking energy: -205.048
Base-Backbone interact. energy: 0.882
local terms energy: -227.828337
where:
bonds (distance) C4'-P energy: -36.804
bonds (distance) P-C4' energy: -50.983
flat angles C4'-P-C4' energy: -52.030
flat angles P-C4'-P energy: -27.084
tors. eta vs tors. theta energy: -60.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -548.397798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.397798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.397798 (E_RNA)
where:
Base-Base interactions energy: -370.955
where: short stacking energy: -159.605
Base-Backbone interact. energy: -1.078
local terms energy: -176.365207
where:
bonds (distance) C4'-P energy: -40.883
bonds (distance) P-C4' energy: -42.908
flat angles C4'-P-C4' energy: -41.859
flat angles P-C4'-P energy: -30.190
tors. eta vs tors. theta energy: -20.525
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: 78
Temperature: 1.350000
Total energy: -259.815674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.815674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.815674 (E_RNA)
where:
Base-Base interactions energy: -134.005
where: short stacking energy: -78.009
Base-Backbone interact. energy: 2.317
local terms energy: -128.127649
where:
bonds (distance) C4'-P energy: -38.500
bonds (distance) P-C4' energy: -41.066
flat angles C4'-P-C4' energy: -44.962
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: 4.690
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: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -949.201432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.201432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.201432 (E_RNA)
where:
Base-Base interactions energy: -653.377
where: short stacking energy: -288.141
Base-Backbone interact. energy: -0.829
local terms energy: -294.995312
where:
bonds (distance) C4'-P energy: -47.896
bonds (distance) P-C4' energy: -61.241
flat angles C4'-P-C4' energy: -60.094
flat angles P-C4'-P energy: -45.108
tors. eta vs tors. theta energy: -80.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -926.464389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.464389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.464389 (E_RNA)
where:
Base-Base interactions energy: -639.662
where: short stacking energy: -262.046
Base-Backbone interact. energy: -0.642
local terms energy: -286.160637
where:
bonds (distance) C4'-P energy: -51.331
bonds (distance) P-C4' energy: -58.384
flat angles C4'-P-C4' energy: -53.212
flat angles P-C4'-P energy: -44.526
tors. eta vs tors. theta energy: -78.707
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: 6
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -901.780586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.780586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.780586 (E_RNA)
where:
Base-Base interactions energy: -618.223
where: short stacking energy: -287.330
Base-Backbone interact. energy: 1.739
local terms energy: -285.296156
where:
bonds (distance) C4'-P energy: -47.538
bonds (distance) P-C4' energy: -52.594
flat angles C4'-P-C4' energy: -63.271
flat angles P-C4'-P energy: -36.872
tors. eta vs tors. theta energy: -85.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -873.785630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.785630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.785630 (E_RNA)
where:
Base-Base interactions energy: -604.035
where: short stacking energy: -266.011
Base-Backbone interact. energy: -1.107
local terms energy: -268.643403
where:
bonds (distance) C4'-P energy: -50.511
bonds (distance) P-C4' energy: -40.986
flat angles C4'-P-C4' energy: -59.703
flat angles P-C4'-P energy: -46.021
tors. eta vs tors. theta energy: -71.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -772.882489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.882489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.882489 (E_RNA)
where:
Base-Base interactions energy: -533.329
where: short stacking energy: -216.346
Base-Backbone interact. energy: -0.384
local terms energy: -239.169818
where:
bonds (distance) C4'-P energy: -47.832
bonds (distance) P-C4' energy: -44.717
flat angles C4'-P-C4' energy: -49.921
flat angles P-C4'-P energy: -32.681
tors. eta vs tors. theta energy: -64.020
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: 6, replica: 8
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -790.440928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.440928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.440928 (E_RNA)
where:
Base-Base interactions energy: -539.743
where: short stacking energy: -219.977
Base-Backbone interact. energy: -0.559
local terms energy: -250.138897
where:
bonds (distance) C4'-P energy: -50.692
bonds (distance) P-C4' energy: -55.704
flat angles C4'-P-C4' energy: -49.307
flat angles P-C4'-P energy: -36.525
tors. eta vs tors. theta energy: -57.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -672.764731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.764731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.764731 (E_RNA)
where:
Base-Base interactions energy: -451.102
where: short stacking energy: -188.980
Base-Backbone interact. energy: -0.603
local terms energy: -221.059414
where:
bonds (distance) C4'-P energy: -43.879
bonds (distance) P-C4' energy: -48.918
flat angles C4'-P-C4' energy: -55.468
flat angles P-C4'-P energy: -30.263
tors. eta vs tors. theta energy: -42.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -722.114711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.114711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.114711 (E_RNA)
where:
Base-Base interactions energy: -506.120
where: short stacking energy: -205.766
Base-Backbone interact. energy: -0.476
local terms energy: -215.518256
where:
bonds (distance) C4'-P energy: -31.247
bonds (distance) P-C4' energy: -47.242
flat angles C4'-P-C4' energy: -54.273
flat angles P-C4'-P energy: -20.331
tors. eta vs tors. theta energy: -62.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -536.682081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.682081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.682081 (E_RNA)
where:
Base-Base interactions energy: -351.300
where: short stacking energy: -120.171
Base-Backbone interact. energy: 1.548
local terms energy: -186.929731
where:
bonds (distance) C4'-P energy: -38.081
bonds (distance) P-C4' energy: -58.476
flat angles C4'-P-C4' energy: -39.150
flat angles P-C4'-P energy: -28.948
tors. eta vs tors. theta energy: -22.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -316.824564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.824564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.824564 (E_RNA)
where:
Base-Base interactions energy: -156.803
where: short stacking energy: -92.865
Base-Backbone interact. energy: -1.423
local terms energy: -158.598688
where:
bonds (distance) C4'-P energy: -41.192
bonds (distance) P-C4' energy: -38.445
flat angles C4'-P-C4' energy: -47.932
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -17.576
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: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -965.373947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.373947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.373947 (E_RNA)
where:
Base-Base interactions energy: -666.314
where: short stacking energy: -295.455
Base-Backbone interact. energy: -0.788
local terms energy: -298.272462
where:
bonds (distance) C4'-P energy: -49.332
bonds (distance) P-C4' energy: -55.520
flat angles C4'-P-C4' energy: -65.196
flat angles P-C4'-P energy: -42.390
tors. eta vs tors. theta energy: -85.835
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: 3
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -933.113618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.113618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.113618 (E_RNA)
where:
Base-Base interactions energy: -642.921
where: short stacking energy: -276.332
Base-Backbone interact. energy: -0.339
local terms energy: -289.854127
where:
bonds (distance) C4'-P energy: -50.031
bonds (distance) P-C4' energy: -52.332
flat angles C4'-P-C4' energy: -62.114
flat angles P-C4'-P energy: -46.895
tors. eta vs tors. theta energy: -78.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -913.074686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.074686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.074686 (E_RNA)
where:
Base-Base interactions energy: -619.768
where: short stacking energy: -279.416
Base-Backbone interact. energy: -0.885
local terms energy: -292.421714
where:
bonds (distance) C4'-P energy: -43.489
bonds (distance) P-C4' energy: -56.115
flat angles C4'-P-C4' energy: -55.327
flat angles P-C4'-P energy: -47.728
tors. eta vs tors. theta energy: -89.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -868.016453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.016453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.016453 (E_RNA)
where:
Base-Base interactions energy: -603.869
where: short stacking energy: -260.185
Base-Backbone interact. energy: -0.245
local terms energy: -263.902324
where:
bonds (distance) C4'-P energy: -50.141
bonds (distance) P-C4' energy: -42.357
flat angles C4'-P-C4' energy: -57.186
flat angles P-C4'-P energy: -37.547
tors. eta vs tors. theta energy: -76.672
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: 5, replica: 8
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -833.931641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.931641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.931641 (E_RNA)
where:
Base-Base interactions energy: -566.251
where: short stacking energy: -238.580
Base-Backbone interact. energy: -1.092
local terms energy: -266.588178
where:
bonds (distance) C4'-P energy: -49.532
bonds (distance) P-C4' energy: -59.436
flat angles C4'-P-C4' energy: -56.907
flat angles P-C4'-P energy: -38.327
tors. eta vs tors. theta energy: -62.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -758.178138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.178138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.178138 (E_RNA)
where:
Base-Base interactions energy: -509.846
where: short stacking energy: -194.569
Base-Backbone interact. energy: -0.584
local terms energy: -247.747967
where:
bonds (distance) C4'-P energy: -52.465
bonds (distance) P-C4' energy: -41.496
flat angles C4'-P-C4' energy: -51.301
flat angles P-C4'-P energy: -40.928
tors. eta vs tors. theta energy: -61.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -807.264641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.264641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.264641 (E_RNA)
where:
Base-Base interactions energy: -537.973
where: short stacking energy: -243.165
Base-Backbone interact. energy: -0.596
local terms energy: -268.696127
where:
bonds (distance) C4'-P energy: -39.261
bonds (distance) P-C4' energy: -57.715
flat angles C4'-P-C4' energy: -62.432
flat angles P-C4'-P energy: -39.215
tors. eta vs tors. theta energy: -70.073
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: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -712.822718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.822718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.822718 (E_RNA)
where:
Base-Base interactions energy: -485.177
where: short stacking energy: -193.071
Base-Backbone interact. energy: -0.046
local terms energy: -227.599705
where:
bonds (distance) C4'-P energy: -44.536
bonds (distance) P-C4' energy: -47.421
flat angles C4'-P-C4' energy: -50.132
flat angles P-C4'-P energy: -33.569
tors. eta vs tors. theta energy: -51.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -537.260200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.260200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.260200 (E_RNA)
where:
Base-Base interactions energy: -345.839
where: short stacking energy: -160.588
Base-Backbone interact. energy: -0.139
local terms energy: -191.281963
where:
bonds (distance) C4'-P energy: -50.702
bonds (distance) P-C4' energy: -44.824
flat angles C4'-P-C4' energy: -41.695
flat angles P-C4'-P energy: -23.576
tors. eta vs tors. theta energy: -30.485
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: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -321.182192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.182192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.182192 (E_RNA)
where:
Base-Base interactions energy: -159.979
where: short stacking energy: -80.178
Base-Backbone interact. energy: -0.158
local terms energy: -161.044912
where:
bonds (distance) C4'-P energy: -43.852
bonds (distance) P-C4' energy: -42.343
flat angles C4'-P-C4' energy: -46.133
flat angles P-C4'-P energy: -23.820
tors. eta vs tors. theta energy: -4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -960.730345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.730345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.730345 (E_RNA)
where:
Base-Base interactions energy: -665.383
where: short stacking energy: -288.577
Base-Backbone interact. energy: -1.448
local terms energy: -293.899320
where:
bonds (distance) C4'-P energy: -52.190
bonds (distance) P-C4' energy: -46.224
flat angles C4'-P-C4' energy: -58.097
flat angles P-C4'-P energy: -48.558
tors. eta vs tors. theta energy: -88.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -933.215364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.215364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.215364 (E_RNA)
where:
Base-Base interactions energy: -644.538
where: short stacking energy: -280.637
Base-Backbone interact. energy: -1.404
local terms energy: -287.273763
where:
bonds (distance) C4'-P energy: -48.740
bonds (distance) P-C4' energy: -53.188
flat angles C4'-P-C4' energy: -59.474
flat angles P-C4'-P energy: -39.177
tors. eta vs tors. theta energy: -86.694
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: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -929.713552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.713552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.713552 (E_RNA)
where:
Base-Base interactions energy: -631.066
where: short stacking energy: -276.044
Base-Backbone interact. energy: -1.235
local terms energy: -297.412066
where:
bonds (distance) C4'-P energy: -48.583
bonds (distance) P-C4' energy: -53.826
flat angles C4'-P-C4' energy: -59.138
flat angles P-C4'-P energy: -46.371
tors. eta vs tors. theta energy: -89.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -899.376290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.376290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.376290 (E_RNA)
where:
Base-Base interactions energy: -625.311
where: short stacking energy: -267.978
Base-Backbone interact. energy: -0.504
local terms energy: -273.560995
where:
bonds (distance) C4'-P energy: -51.660
bonds (distance) P-C4' energy: -51.960
flat angles C4'-P-C4' energy: -53.430
flat angles P-C4'-P energy: -34.296
tors. eta vs tors. theta energy: -82.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -808.549842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.549842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.549842 (E_RNA)
where:
Base-Base interactions energy: -560.069
where: short stacking energy: -236.481
Base-Backbone interact. energy: -0.981
local terms energy: -247.499485
where:
bonds (distance) C4'-P energy: -47.933
bonds (distance) P-C4' energy: -39.095
flat angles C4'-P-C4' energy: -55.142
flat angles P-C4'-P energy: -41.382
tors. eta vs tors. theta energy: -63.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -805.856340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.856340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.856340 (E_RNA)
where:
Base-Base interactions energy: -560.469
where: short stacking energy: -226.555
Base-Backbone interact. energy: -1.275
local terms energy: -244.112507
where:
bonds (distance) C4'-P energy: -44.899
bonds (distance) P-C4' energy: -47.718
flat angles C4'-P-C4' energy: -53.293
flat angles P-C4'-P energy: -36.283
tors. eta vs tors. theta energy: -61.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -741.866633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.866633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.866633 (E_RNA)
where:
Base-Base interactions energy: -513.939
where: short stacking energy: -208.210
Base-Backbone interact. energy: -0.493
local terms energy: -227.434378
where:
bonds (distance) C4'-P energy: -45.723
bonds (distance) P-C4' energy: -45.672
flat angles C4'-P-C4' energy: -43.914
flat angles P-C4'-P energy: -32.509
tors. eta vs tors. theta energy: -59.616
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: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -725.058163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.058163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.058163 (E_RNA)
where:
Base-Base interactions energy: -509.020
where: short stacking energy: -219.508
Base-Backbone interact. energy: -0.480
local terms energy: -215.557337
where:
bonds (distance) C4'-P energy: -52.084
bonds (distance) P-C4' energy: -34.780
flat angles C4'-P-C4' energy: -37.779
flat angles P-C4'-P energy: -29.929
tors. eta vs tors. theta energy: -60.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -535.232722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.232722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.232722 (E_RNA)
where:
Base-Base interactions energy: -349.463
where: short stacking energy: -128.079
Base-Backbone interact. energy: -0.464
local terms energy: -185.305154
where:
bonds (distance) C4'-P energy: -49.366
bonds (distance) P-C4' energy: -40.266
flat angles C4'-P-C4' energy: -39.296
flat angles P-C4'-P energy: -28.438
tors. eta vs tors. theta energy: -27.939
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: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -289.506993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.506993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.506993 (E_RNA)
where:
Base-Base interactions energy: -131.346
where: short stacking energy: -74.937
Base-Backbone interact. energy: 2.076
local terms energy: -160.236995
where:
bonds (distance) C4'-P energy: -46.688
bonds (distance) P-C4' energy: -45.861
flat angles C4'-P-C4' energy: -38.975
flat angles P-C4'-P energy: -23.646
tors. eta vs tors. theta energy: -5.068
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: 82
Temperature: 0.900000
Total energy: -956.127646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.127646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.127646 (E_RNA)
where:
Base-Base interactions energy: -660.048
where: short stacking energy: -292.687
Base-Backbone interact. energy: 0.736
local terms energy: -296.815471
where:
bonds (distance) C4'-P energy: -53.888
bonds (distance) P-C4' energy: -61.757
flat angles C4'-P-C4' energy: -56.120
flat angles P-C4'-P energy: -35.000
tors. eta vs tors. theta energy: -90.051
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: 6
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -941.259577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.259577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.259577 (E_RNA)
where:
Base-Base interactions energy: -640.400
where: short stacking energy: -286.936
Base-Backbone interact. energy: -1.441
local terms energy: -299.418744
where:
bonds (distance) C4'-P energy: -58.607
bonds (distance) P-C4' energy: -52.011
flat angles C4'-P-C4' energy: -60.528
flat angles P-C4'-P energy: -42.656
tors. eta vs tors. theta energy: -85.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -932.100311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.100311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.100311 (E_RNA)
where:
Base-Base interactions energy: -627.434
where: short stacking energy: -283.670
Base-Backbone interact. energy: -1.572
local terms energy: -303.094409
where:
bonds (distance) C4'-P energy: -57.431
bonds (distance) P-C4' energy: -47.985
flat angles C4'-P-C4' energy: -63.665
flat angles P-C4'-P energy: -46.010
tors. eta vs tors. theta energy: -88.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -884.424707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.424707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.424707 (E_RNA)
where:
Base-Base interactions energy: -613.337
where: short stacking energy: -275.614
Base-Backbone interact. energy: -1.664
local terms energy: -269.424234
where:
bonds (distance) C4'-P energy: -50.909
bonds (distance) P-C4' energy: -46.912
flat angles C4'-P-C4' energy: -52.933
flat angles P-C4'-P energy: -34.662
tors. eta vs tors. theta energy: -84.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -824.115249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.115249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.115249 (E_RNA)
where:
Base-Base interactions energy: -571.772
where: short stacking energy: -239.539
Base-Backbone interact. energy: -1.607
local terms energy: -250.736367
where:
bonds (distance) C4'-P energy: -47.998
bonds (distance) P-C4' energy: -50.920
flat angles C4'-P-C4' energy: -59.162
flat angles P-C4'-P energy: -28.081
tors. eta vs tors. theta energy: -64.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -803.344327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.344327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.344327 (E_RNA)
where:
Base-Base interactions energy: -543.577
where: short stacking energy: -225.494
Base-Backbone interact. energy: -1.989
local terms energy: -257.777939
where:
bonds (distance) C4'-P energy: -53.918
bonds (distance) P-C4' energy: -53.322
flat angles C4'-P-C4' energy: -55.541
flat angles P-C4'-P energy: -37.344
tors. eta vs tors. theta energy: -57.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -756.556287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.556287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.556287 (E_RNA)
where:
Base-Base interactions energy: -516.022
where: short stacking energy: -227.304
Base-Backbone interact. energy: -0.142
local terms energy: -240.391750
where:
bonds (distance) C4'-P energy: -52.238
bonds (distance) P-C4' energy: -42.322
flat angles C4'-P-C4' energy: -54.056
flat angles P-C4'-P energy: -27.474
tors. eta vs tors. theta energy: -64.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -696.513649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.513649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.513649 (E_RNA)
where:
Base-Base interactions energy: -484.385
where: short stacking energy: -199.390
Base-Backbone interact. energy: -0.261
local terms energy: -211.867981
where:
bonds (distance) C4'-P energy: -45.509
bonds (distance) P-C4' energy: -36.917
flat angles C4'-P-C4' energy: -53.242
flat angles P-C4'-P energy: -25.407
tors. eta vs tors. theta energy: -50.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -557.357755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.357755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.357755 (E_RNA)
where:
Base-Base interactions energy: -363.447
where: short stacking energy: -164.555
Base-Backbone interact. energy: -0.744
local terms energy: -193.166108
where:
bonds (distance) C4'-P energy: -39.744
bonds (distance) P-C4' energy: -45.339
flat angles C4'-P-C4' energy: -46.010
flat angles P-C4'-P energy: -31.957
tors. eta vs tors. theta energy: -30.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -321.584757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.584757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.584757 (E_RNA)
where:
Base-Base interactions energy: -160.808
where: short stacking energy: -106.787
Base-Backbone interact. energy: -0.173
local terms energy: -160.603258
where:
bonds (distance) C4'-P energy: -41.371
bonds (distance) P-C4' energy: -45.251
flat angles C4'-P-C4' energy: -41.168
flat angles P-C4'-P energy: -21.166
tors. eta vs tors. theta energy: -11.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -970.004601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.004601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.004601 (E_RNA)
where:
Base-Base interactions energy: -666.065
where: short stacking energy: -294.807
Base-Backbone interact. energy: 2.266
local terms energy: -306.205428
where:
bonds (distance) C4'-P energy: -58.268
bonds (distance) P-C4' energy: -51.407
flat angles C4'-P-C4' energy: -63.340
flat angles P-C4'-P energy: -43.284
tors. eta vs tors. theta energy: -89.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -955.760684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.760684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.760684 (E_RNA)
where:
Base-Base interactions energy: -650.341
where: short stacking energy: -292.219
Base-Backbone interact. energy: -1.789
local terms energy: -303.630831
where:
bonds (distance) C4'-P energy: -53.039
bonds (distance) P-C4' energy: -52.123
flat angles C4'-P-C4' energy: -62.769
flat angles P-C4'-P energy: -40.045
tors. eta vs tors. theta energy: -95.655
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: 83
Temperature: 1.000000
Total energy: -917.783466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.783466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.783466 (E_RNA)
where:
Base-Base interactions energy: -613.190
where: short stacking energy: -260.158
Base-Backbone interact. energy: 1.680
local terms energy: -306.272613
where:
bonds (distance) C4'-P energy: -58.647
bonds (distance) P-C4' energy: -53.408
flat angles C4'-P-C4' energy: -68.881
flat angles P-C4'-P energy: -42.515
tors. eta vs tors. theta energy: -82.822
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: 83
Temperature: 1.050000
Total energy: -896.856826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.856826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.856826 (E_RNA)
where:
Base-Base interactions energy: -618.695
where: short stacking energy: -260.479
Base-Backbone interact. energy: 1.033
local terms energy: -279.194975
where:
bonds (distance) C4'-P energy: -60.326
bonds (distance) P-C4' energy: -49.845
flat angles C4'-P-C4' energy: -53.891
flat angles P-C4'-P energy: -35.413
tors. eta vs tors. theta energy: -79.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -817.466028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.466028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.466028 (E_RNA)
where:
Base-Base interactions energy: -560.745
where: short stacking energy: -238.555
Base-Backbone interact. energy: -0.305
local terms energy: -256.416403
where:
bonds (distance) C4'-P energy: -43.916
bonds (distance) P-C4' energy: -45.393
flat angles C4'-P-C4' energy: -55.450
flat angles P-C4'-P energy: -38.502
tors. eta vs tors. theta energy: -73.156
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: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -779.933452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.933452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.933452 (E_RNA)
where:
Base-Base interactions energy: -537.514
where: short stacking energy: -217.866
Base-Backbone interact. energy: 0.902
local terms energy: -243.321182
where:
bonds (distance) C4'-P energy: -50.588
bonds (distance) P-C4' energy: -43.326
flat angles C4'-P-C4' energy: -56.938
flat angles P-C4'-P energy: -37.426
tors. eta vs tors. theta energy: -55.044
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: 4
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -777.154572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.154572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.154572 (E_RNA)
where:
Base-Base interactions energy: -523.703
where: short stacking energy: -216.007
Base-Backbone interact. energy: 2.145
local terms energy: -255.596656
where:
bonds (distance) C4'-P energy: -52.066
bonds (distance) P-C4' energy: -50.351
flat angles C4'-P-C4' energy: -55.235
flat angles P-C4'-P energy: -34.030
tors. eta vs tors. theta energy: -63.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -689.781206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.781206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.781206 (E_RNA)
where:
Base-Base interactions energy: -464.860
where: short stacking energy: -201.006
Base-Backbone interact. energy: -0.954
local terms energy: -223.967753
where:
bonds (distance) C4'-P energy: -36.236
bonds (distance) P-C4' energy: -54.392
flat angles C4'-P-C4' energy: -52.059
flat angles P-C4'-P energy: -29.649
tors. eta vs tors. theta energy: -51.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -533.962054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.962054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.962054 (E_RNA)
where:
Base-Base interactions energy: -355.012
where: short stacking energy: -145.408
Base-Backbone interact. energy: -2.495
local terms energy: -176.455027
where:
bonds (distance) C4'-P energy: -41.396
bonds (distance) P-C4' energy: -33.948
flat angles C4'-P-C4' energy: -44.083
flat angles P-C4'-P energy: -22.398
tors. eta vs tors. theta energy: -34.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -286.657652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.657652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.657652 (E_RNA)
where:
Base-Base interactions energy: -151.540
where: short stacking energy: -88.818
Base-Backbone interact. energy: -0.139
local terms energy: -134.978877
where:
bonds (distance) C4'-P energy: -47.830
bonds (distance) P-C4' energy: -45.020
flat angles C4'-P-C4' energy: -26.555
flat angles P-C4'-P energy: -16.230
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: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -941.675759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.675759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.675759 (E_RNA)
where:
Base-Base interactions energy: -654.299
where: short stacking energy: -286.049
Base-Backbone interact. energy: -0.690
local terms energy: -286.687307
where:
bonds (distance) C4'-P energy: -42.006
bonds (distance) P-C4' energy: -52.272
flat angles C4'-P-C4' energy: -56.747
flat angles P-C4'-P energy: -43.212
tors. eta vs tors. theta energy: -92.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -937.588578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.588578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.588578 (E_RNA)
where:
Base-Base interactions energy: -644.367
where: short stacking energy: -279.964
Base-Backbone interact. energy: -1.402
local terms energy: -291.820323
where:
bonds (distance) C4'-P energy: -55.291
bonds (distance) P-C4' energy: -48.401
flat angles C4'-P-C4' energy: -61.319
flat angles P-C4'-P energy: -34.947
tors. eta vs tors. theta energy: -91.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -918.184081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.184081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.184081 (E_RNA)
where:
Base-Base interactions energy: -622.509
where: short stacking energy: -264.688
Base-Backbone interact. energy: -0.611
local terms energy: -295.063893
where:
bonds (distance) C4'-P energy: -45.857
bonds (distance) P-C4' energy: -54.211
flat angles C4'-P-C4' energy: -63.367
flat angles P-C4'-P energy: -44.091
tors. eta vs tors. theta energy: -87.539
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: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -865.494984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.494984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.494984 (E_RNA)
where:
Base-Base interactions energy: -594.241
where: short stacking energy: -261.852
Base-Backbone interact. energy: -1.278
local terms energy: -269.975971
where:
bonds (distance) C4'-P energy: -48.129
bonds (distance) P-C4' energy: -49.877
flat angles C4'-P-C4' energy: -59.523
flat angles P-C4'-P energy: -36.494
tors. eta vs tors. theta energy: -75.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -801.933661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.933661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.933661 (E_RNA)
where:
Base-Base interactions energy: -563.568
where: short stacking energy: -222.852
Base-Backbone interact. energy: -0.786
local terms energy: -237.580144
where:
bonds (distance) C4'-P energy: -45.039
bonds (distance) P-C4' energy: -50.312
flat angles C4'-P-C4' energy: -41.559
flat angles P-C4'-P energy: -37.436
tors. eta vs tors. theta energy: -63.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -776.041402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.041402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.041402 (E_RNA)
where:
Base-Base interactions energy: -543.344
where: short stacking energy: -218.888
Base-Backbone interact. energy: 0.655
local terms energy: -233.352487
where:
bonds (distance) C4'-P energy: -40.828
bonds (distance) P-C4' energy: -53.047
flat angles C4'-P-C4' energy: -49.614
flat angles P-C4'-P energy: -30.692
tors. eta vs tors. theta energy: -59.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -743.663754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.663754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.663754 (E_RNA)
where:
Base-Base interactions energy: -523.764
where: short stacking energy: -207.699
Base-Backbone interact. energy: -1.415
local terms energy: -218.484422
where:
bonds (distance) C4'-P energy: -32.785
bonds (distance) P-C4' energy: -47.370
flat angles C4'-P-C4' energy: -45.875
flat angles P-C4'-P energy: -29.330
tors. eta vs tors. theta energy: -63.125
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: 8, replica: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -657.941779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.941779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.941779 (E_RNA)
where:
Base-Base interactions energy: -440.419
where: short stacking energy: -170.624
Base-Backbone interact. energy: -1.096
local terms energy: -216.426256
where:
bonds (distance) C4'-P energy: -45.953
bonds (distance) P-C4' energy: -46.894
flat angles C4'-P-C4' energy: -46.519
flat angles P-C4'-P energy: -32.122
tors. eta vs tors. theta energy: -44.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -537.350573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.350573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.350573 (E_RNA)
where:
Base-Base interactions energy: -354.556
where: short stacking energy: -151.735
Base-Backbone interact. energy: -0.666
local terms energy: -182.128903
where:
bonds (distance) C4'-P energy: -44.642
bonds (distance) P-C4' energy: -42.666
flat angles C4'-P-C4' energy: -37.353
flat angles P-C4'-P energy: -29.812
tors. eta vs tors. theta energy: -27.656
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: 84
Temperature: 1.350000
Total energy: -308.640987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.640987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.640987 (E_RNA)
where:
Base-Base interactions energy: -153.763
where: short stacking energy: -92.763
Base-Backbone interact. energy: 1.001
local terms energy: -155.878829
where:
bonds (distance) C4'-P energy: -38.663
bonds (distance) P-C4' energy: -36.764
flat angles C4'-P-C4' energy: -45.743
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -17.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -959.368566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.368566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.368566 (E_RNA)
where:
Base-Base interactions energy: -661.070
where: short stacking energy: -293.731
Base-Backbone interact. energy: -0.035
local terms energy: -298.263631
where:
bonds (distance) C4'-P energy: -45.261
bonds (distance) P-C4' energy: -62.933
flat angles C4'-P-C4' energy: -56.569
flat angles P-C4'-P energy: -42.850
tors. eta vs tors. theta energy: -90.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -932.405193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.405193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.405193 (E_RNA)
where:
Base-Base interactions energy: -629.978
where: short stacking energy: -272.052
Base-Backbone interact. energy: -1.583
local terms energy: -300.844359
where:
bonds (distance) C4'-P energy: -58.365
bonds (distance) P-C4' energy: -53.128
flat angles C4'-P-C4' energy: -58.117
flat angles P-C4'-P energy: -48.390
tors. eta vs tors. theta energy: -82.844
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: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -928.693320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.693320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.693320 (E_RNA)
where:
Base-Base interactions energy: -641.896
where: short stacking energy: -285.859
Base-Backbone interact. energy: -1.334
local terms energy: -285.462540
where:
bonds (distance) C4'-P energy: -49.404
bonds (distance) P-C4' energy: -47.122
flat angles C4'-P-C4' energy: -56.101
flat angles P-C4'-P energy: -46.231
tors. eta vs tors. theta energy: -86.605
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: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -831.703293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.703293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.703293 (E_RNA)
where:
Base-Base interactions energy: -590.332
where: short stacking energy: -246.819
Base-Backbone interact. energy: -0.554
local terms energy: -240.816564
where:
bonds (distance) C4'-P energy: -39.828
bonds (distance) P-C4' energy: -57.866
flat angles C4'-P-C4' energy: -48.632
flat angles P-C4'-P energy: -31.374
tors. eta vs tors. theta energy: -63.116
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: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -848.371047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.371047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.371047 (E_RNA)
where:
Base-Base interactions energy: -567.722
where: short stacking energy: -253.238
Base-Backbone interact. energy: -0.371
local terms energy: -280.278274
where:
bonds (distance) C4'-P energy: -45.908
bonds (distance) P-C4' energy: -48.706
flat angles C4'-P-C4' energy: -60.520
flat angles P-C4'-P energy: -45.255
tors. eta vs tors. theta energy: -79.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -761.522453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.522453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.522453 (E_RNA)
where:
Base-Base interactions energy: -525.774
where: short stacking energy: -216.082
Base-Backbone interact. energy: -2.289
local terms energy: -233.460058
where:
bonds (distance) C4'-P energy: -47.983
bonds (distance) P-C4' energy: -40.304
flat angles C4'-P-C4' energy: -48.861
flat angles P-C4'-P energy: -33.840
tors. eta vs tors. theta energy: -62.472
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: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -757.224235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.224235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.224235 (E_RNA)
where:
Base-Base interactions energy: -535.276
where: short stacking energy: -224.276
Base-Backbone interact. energy: -0.296
local terms energy: -221.653141
where:
bonds (distance) C4'-P energy: -37.064
bonds (distance) P-C4' energy: -39.349
flat angles C4'-P-C4' energy: -44.919
flat angles P-C4'-P energy: -31.306
tors. eta vs tors. theta energy: -69.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -708.949880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.949880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.949880 (E_RNA)
where:
Base-Base interactions energy: -489.265
where: short stacking energy: -202.882
Base-Backbone interact. energy: -1.324
local terms energy: -218.360672
where:
bonds (distance) C4'-P energy: -48.983
bonds (distance) P-C4' energy: -42.381
flat angles C4'-P-C4' energy: -45.934
flat angles P-C4'-P energy: -32.044
tors. eta vs tors. theta energy: -49.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -520.382710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.382710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.382710 (E_RNA)
where:
Base-Base interactions energy: -335.252
where: short stacking energy: -138.735
Base-Backbone interact. energy: -1.168
local terms energy: -183.963303
where:
bonds (distance) C4'-P energy: -55.706
bonds (distance) P-C4' energy: -38.530
flat angles C4'-P-C4' energy: -38.966
flat angles P-C4'-P energy: -30.519
tors. eta vs tors. theta energy: -20.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -292.866004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.866004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.866004 (E_RNA)
where:
Base-Base interactions energy: -141.173
where: short stacking energy: -84.207
Base-Backbone interact. energy: -1.479
local terms energy: -150.213561
where:
bonds (distance) C4'-P energy: -43.987
bonds (distance) P-C4' energy: -48.751
flat angles C4'-P-C4' energy: -30.060
flat angles P-C4'-P energy: -25.435
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -962.749767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.749767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.749767 (E_RNA)
where:
Base-Base interactions energy: -667.689
where: short stacking energy: -296.129
Base-Backbone interact. energy: -0.630
local terms energy: -294.429903
where:
bonds (distance) C4'-P energy: -49.752
bonds (distance) P-C4' energy: -56.756
flat angles C4'-P-C4' energy: -58.764
flat angles P-C4'-P energy: -41.996
tors. eta vs tors. theta energy: -87.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -942.452748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.452748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.452748 (E_RNA)
where:
Base-Base interactions energy: -648.505
where: short stacking energy: -288.653
Base-Backbone interact. energy: -0.810
local terms energy: -293.137230
where:
bonds (distance) C4'-P energy: -50.585
bonds (distance) P-C4' energy: -58.441
flat angles C4'-P-C4' energy: -59.628
flat angles P-C4'-P energy: -40.939
tors. eta vs tors. theta energy: -83.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -894.603166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.603166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.603166 (E_RNA)
where:
Base-Base interactions energy: -617.995
where: short stacking energy: -277.244
Base-Backbone interact. energy: -1.999
local terms energy: -274.609446
where:
bonds (distance) C4'-P energy: -40.042
bonds (distance) P-C4' energy: -49.030
flat angles C4'-P-C4' energy: -57.556
flat angles P-C4'-P energy: -47.702
tors. eta vs tors. theta energy: -80.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -832.500289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.500289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.500289 (E_RNA)
where:
Base-Base interactions energy: -573.461
where: short stacking energy: -238.493
Base-Backbone interact. energy: -0.664
local terms energy: -258.375523
where:
bonds (distance) C4'-P energy: -53.646
bonds (distance) P-C4' energy: -48.401
flat angles C4'-P-C4' energy: -56.699
flat angles P-C4'-P energy: -39.898
tors. eta vs tors. theta energy: -59.732
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: 5, replica: 3
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -844.788368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.788368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.788368 (E_RNA)
where:
Base-Base interactions energy: -595.130
where: short stacking energy: -243.261
Base-Backbone interact. energy: 0.741
local terms energy: -250.399436
where:
bonds (distance) C4'-P energy: -48.359
bonds (distance) P-C4' energy: -45.978
flat angles C4'-P-C4' energy: -55.555
flat angles P-C4'-P energy: -31.981
tors. eta vs tors. theta energy: -68.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -785.109822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.109822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.109822 (E_RNA)
where:
Base-Base interactions energy: -553.797
where: short stacking energy: -237.135
Base-Backbone interact. energy: 4.571
local terms energy: -235.883476
where:
bonds (distance) C4'-P energy: -38.020
bonds (distance) P-C4' energy: -55.016
flat angles C4'-P-C4' energy: -50.506
flat angles P-C4'-P energy: -35.143
tors. eta vs tors. theta energy: -57.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -745.960852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.960852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.960852 (E_RNA)
where:
Base-Base interactions energy: -515.877
where: short stacking energy: -203.133
Base-Backbone interact. energy: -0.931
local terms energy: -229.152616
where:
bonds (distance) C4'-P energy: -43.762
bonds (distance) P-C4' energy: -48.861
flat angles C4'-P-C4' energy: -47.888
flat angles P-C4'-P energy: -34.608
tors. eta vs tors. theta energy: -54.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -665.478634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.478634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.478634 (E_RNA)
where:
Base-Base interactions energy: -450.652
where: short stacking energy: -183.367
Base-Backbone interact. energy: -0.963
local terms energy: -213.863702
where:
bonds (distance) C4'-P energy: -45.652
bonds (distance) P-C4' energy: -47.334
flat angles C4'-P-C4' energy: -45.835
flat angles P-C4'-P energy: -20.304
tors. eta vs tors. theta energy: -54.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -522.787625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.787625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.787625 (E_RNA)
where:
Base-Base interactions energy: -368.272
where: short stacking energy: -155.626
Base-Backbone interact. energy: 0.158
local terms energy: -154.673632
where:
bonds (distance) C4'-P energy: -27.368
bonds (distance) P-C4' energy: -33.937
flat angles C4'-P-C4' energy: -35.383
flat angles P-C4'-P energy: -29.287
tors. eta vs tors. theta energy: -28.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -238.333480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.333480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.333480 (E_RNA)
where:
Base-Base interactions energy: -100.746
where: short stacking energy: -84.640
Base-Backbone interact. energy: 0.408
local terms energy: -137.995469
where:
bonds (distance) C4'-P energy: -40.798
bonds (distance) P-C4' energy: -45.411
flat angles C4'-P-C4' energy: -43.839
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -0.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -953.659898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.659898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.659898 (E_RNA)
where:
Base-Base interactions energy: -653.628
where: short stacking energy: -279.998
Base-Backbone interact. energy: -1.774
local terms energy: -298.257850
where:
bonds (distance) C4'-P energy: -55.297
bonds (distance) P-C4' energy: -52.722
flat angles C4'-P-C4' energy: -60.734
flat angles P-C4'-P energy: -42.367
tors. eta vs tors. theta energy: -87.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -937.501779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.501779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.501779 (E_RNA)
where:
Base-Base interactions energy: -644.438
where: short stacking energy: -285.993
Base-Backbone interact. energy: -0.890
local terms energy: -292.173883
where:
bonds (distance) C4'-P energy: -44.181
bonds (distance) P-C4' energy: -53.048
flat angles C4'-P-C4' energy: -64.303
flat angles P-C4'-P energy: -41.912
tors. eta vs tors. theta energy: -88.729
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: 1
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -886.450773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.450773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.450773 (E_RNA)
where:
Base-Base interactions energy: -611.110
where: short stacking energy: -254.621
Base-Backbone interact. energy: -1.299
local terms energy: -274.042235
where:
bonds (distance) C4'-P energy: -47.884
bonds (distance) P-C4' energy: -55.236
flat angles C4'-P-C4' energy: -56.201
flat angles P-C4'-P energy: -42.224
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: 4, replica: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -866.874881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.874881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.874881 (E_RNA)
where:
Base-Base interactions energy: -606.158
where: short stacking energy: -254.768
Base-Backbone interact. energy: -0.747
local terms energy: -259.968960
where:
bonds (distance) C4'-P energy: -39.249
bonds (distance) P-C4' energy: -54.457
flat angles C4'-P-C4' energy: -55.217
flat angles P-C4'-P energy: -30.116
tors. eta vs tors. theta energy: -80.929
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: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -806.790315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.790315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.790315 (E_RNA)
where:
Base-Base interactions energy: -570.863
where: short stacking energy: -226.249
Base-Backbone interact. energy: 1.737
local terms energy: -237.663962
where:
bonds (distance) C4'-P energy: -40.826
bonds (distance) P-C4' energy: -42.990
flat angles C4'-P-C4' energy: -54.019
flat angles P-C4'-P energy: -43.064
tors. eta vs tors. theta energy: -56.766
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: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -747.085133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.085133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.085133 (E_RNA)
where:
Base-Base interactions energy: -520.122
where: short stacking energy: -228.338
Base-Backbone interact. energy: -1.240
local terms energy: -225.723034
where:
bonds (distance) C4'-P energy: -45.054
bonds (distance) P-C4' energy: -40.350
flat angles C4'-P-C4' energy: -41.171
flat angles P-C4'-P energy: -39.176
tors. eta vs tors. theta energy: -59.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -757.339719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.339719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.339719 (E_RNA)
where:
Base-Base interactions energy: -546.082
where: short stacking energy: -238.790
Base-Backbone interact. energy: -0.641
local terms energy: -210.616318
where:
bonds (distance) C4'-P energy: -31.982
bonds (distance) P-C4' energy: -38.038
flat angles C4'-P-C4' energy: -42.816
flat angles P-C4'-P energy: -36.505
tors. eta vs tors. theta energy: -61.276
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: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -668.023941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.023941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.023941 (E_RNA)
where:
Base-Base interactions energy: -449.678
where: short stacking energy: -184.698
Base-Backbone interact. energy: 0.283
local terms energy: -218.628933
where:
bonds (distance) C4'-P energy: -41.266
bonds (distance) P-C4' energy: -47.282
flat angles C4'-P-C4' energy: -51.577
flat angles P-C4'-P energy: -31.943
tors. eta vs tors. theta energy: -46.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -548.502942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.502942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.502942 (E_RNA)
where:
Base-Base interactions energy: -364.003
where: short stacking energy: -147.596
Base-Backbone interact. energy: -0.514
local terms energy: -183.985688
where:
bonds (distance) C4'-P energy: -34.654
bonds (distance) P-C4' energy: -40.356
flat angles C4'-P-C4' energy: -48.922
flat angles P-C4'-P energy: -30.138
tors. eta vs tors. theta energy: -29.915
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: 87
Temperature: 1.350000
Total energy: -246.037619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.037619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.037619 (E_RNA)
where:
Base-Base interactions energy: -86.636
where: short stacking energy: -71.389
Base-Backbone interact. energy: 2.043
local terms energy: -161.444478
where:
bonds (distance) C4'-P energy: -48.897
bonds (distance) P-C4' energy: -39.048
flat angles C4'-P-C4' energy: -44.101
flat angles P-C4'-P energy: -31.148
tors. eta vs tors. theta energy: 1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -957.776923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.776923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.776923 (E_RNA)
where:
Base-Base interactions energy: -662.287
where: short stacking energy: -288.732
Base-Backbone interact. energy: -1.188
local terms energy: -294.302489
where:
bonds (distance) C4'-P energy: -57.570
bonds (distance) P-C4' energy: -45.395
flat angles C4'-P-C4' energy: -56.128
flat angles P-C4'-P energy: -49.106
tors. eta vs tors. theta energy: -86.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -930.492536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.492536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.492536 (E_RNA)
where:
Base-Base interactions energy: -636.876
where: short stacking energy: -277.712
Base-Backbone interact. energy: -0.856
local terms energy: -292.760359
where:
bonds (distance) C4'-P energy: -52.401
bonds (distance) P-C4' energy: -56.995
flat angles C4'-P-C4' energy: -52.634
flat angles P-C4'-P energy: -45.153
tors. eta vs tors. theta energy: -85.578
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: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -895.585786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.585786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.585786 (E_RNA)
where:
Base-Base interactions energy: -618.937
where: short stacking energy: -258.376
Base-Backbone interact. energy: -2.028
local terms energy: -274.620381
where:
bonds (distance) C4'-P energy: -53.686
bonds (distance) P-C4' energy: -45.725
flat angles C4'-P-C4' energy: -61.463
flat angles P-C4'-P energy: -40.494
tors. eta vs tors. theta energy: -73.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -905.705833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.705833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.705833 (E_RNA)
where:
Base-Base interactions energy: -627.133
where: short stacking energy: -273.134
Base-Backbone interact. energy: -0.185
local terms energy: -278.387746
where:
bonds (distance) C4'-P energy: -50.162
bonds (distance) P-C4' energy: -43.457
flat angles C4'-P-C4' energy: -52.389
flat angles P-C4'-P energy: -44.608
tors. eta vs tors. theta energy: -87.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -833.088469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.088469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.088469 (E_RNA)
where:
Base-Base interactions energy: -582.211
where: short stacking energy: -239.175
Base-Backbone interact. energy: 1.203
local terms energy: -252.081034
where:
bonds (distance) C4'-P energy: -43.814
bonds (distance) P-C4' energy: -53.354
flat angles C4'-P-C4' energy: -46.903
flat angles P-C4'-P energy: -41.037
tors. eta vs tors. theta energy: -66.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -751.822301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.822301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.822301 (E_RNA)
where:
Base-Base interactions energy: -515.623
where: short stacking energy: -215.967
Base-Backbone interact. energy: -0.023
local terms energy: -236.176715
where:
bonds (distance) C4'-P energy: -43.083
bonds (distance) P-C4' energy: -49.947
flat angles C4'-P-C4' energy: -44.831
flat angles P-C4'-P energy: -36.023
tors. eta vs tors. theta energy: -62.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -733.686764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.686764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.686764 (E_RNA)
where:
Base-Base interactions energy: -486.015
where: short stacking energy: -205.217
Base-Backbone interact. energy: -0.703
local terms energy: -246.968201
where:
bonds (distance) C4'-P energy: -50.456
bonds (distance) P-C4' energy: -47.129
flat angles C4'-P-C4' energy: -52.543
flat angles P-C4'-P energy: -32.472
tors. eta vs tors. theta energy: -64.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -680.259286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.259286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.259286 (E_RNA)
where:
Base-Base interactions energy: -458.879
where: short stacking energy: -188.239
Base-Backbone interact. energy: -0.109
local terms energy: -221.270913
where:
bonds (distance) C4'-P energy: -43.304
bonds (distance) P-C4' energy: -42.449
flat angles C4'-P-C4' energy: -48.529
flat angles P-C4'-P energy: -38.552
tors. eta vs tors. theta energy: -48.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -500.699423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.699423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.699423 (E_RNA)
where:
Base-Base interactions energy: -332.195
where: short stacking energy: -137.579
Base-Backbone interact. energy: -1.217
local terms energy: -167.287059
where:
bonds (distance) C4'-P energy: -45.066
bonds (distance) P-C4' energy: -46.052
flat angles C4'-P-C4' energy: -33.243
flat angles P-C4'-P energy: -24.212
tors. eta vs tors. theta energy: -18.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -235.306930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.306930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.306930 (E_RNA)
where:
Base-Base interactions energy: -91.192
where: short stacking energy: -76.088
Base-Backbone interact. energy: -0.365
local terms energy: -143.749587
where:
bonds (distance) C4'-P energy: -35.526
bonds (distance) P-C4' energy: -45.988
flat angles C4'-P-C4' energy: -45.874
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -7.418
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: 89
Temperature: 0.900000
Total energy: -952.695101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.695101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.695101 (E_RNA)
where:
Base-Base interactions energy: -664.769
where: short stacking energy: -279.786
Base-Backbone interact. energy: -0.142
local terms energy: -287.784282
where:
bonds (distance) C4'-P energy: -48.448
bonds (distance) P-C4' energy: -56.804
flat angles C4'-P-C4' energy: -50.074
flat angles P-C4'-P energy: -49.976
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: 6
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -939.386121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.386121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.386121 (E_RNA)
where:
Base-Base interactions energy: -633.620
where: short stacking energy: -276.268
Base-Backbone interact. energy: -0.748
local terms energy: -305.017592
where:
bonds (distance) C4'-P energy: -55.969
bonds (distance) P-C4' energy: -57.620
flat angles C4'-P-C4' energy: -60.808
flat angles P-C4'-P energy: -47.692
tors. eta vs tors. theta energy: -82.929
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: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -904.689368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.689368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.689368 (E_RNA)
where:
Base-Base interactions energy: -622.321
where: short stacking energy: -268.276
Base-Backbone interact. energy: 0.458
local terms energy: -282.826672
where:
bonds (distance) C4'-P energy: -54.543
bonds (distance) P-C4' energy: -59.306
flat angles C4'-P-C4' energy: -55.991
flat angles P-C4'-P energy: -30.551
tors. eta vs tors. theta energy: -82.435
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: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -884.273168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.273168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.273168 (E_RNA)
where:
Base-Base interactions energy: -612.471
where: short stacking energy: -257.432
Base-Backbone interact. energy: -0.685
local terms energy: -271.116435
where:
bonds (distance) C4'-P energy: -38.623
bonds (distance) P-C4' energy: -56.314
flat angles C4'-P-C4' energy: -63.156
flat angles P-C4'-P energy: -37.013
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: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -809.394610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.394610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.394610 (E_RNA)
where:
Base-Base interactions energy: -560.738
where: short stacking energy: -236.176
Base-Backbone interact. energy: 0.428
local terms energy: -249.083865
where:
bonds (distance) C4'-P energy: -51.320
bonds (distance) P-C4' energy: -48.675
flat angles C4'-P-C4' energy: -53.512
flat angles P-C4'-P energy: -34.579
tors. eta vs tors. theta energy: -60.997
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: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -732.051712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.051712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.051712 (E_RNA)
where:
Base-Base interactions energy: -483.002
where: short stacking energy: -208.574
Base-Backbone interact. energy: 1.211
local terms energy: -250.260746
where:
bonds (distance) C4'-P energy: -47.025
bonds (distance) P-C4' energy: -47.049
flat angles C4'-P-C4' energy: -56.542
flat angles P-C4'-P energy: -44.598
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: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -698.610783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.610783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.610783 (E_RNA)
where:
Base-Base interactions energy: -461.228
where: short stacking energy: -199.933
Base-Backbone interact. energy: -1.943
local terms energy: -235.439361
where:
bonds (distance) C4'-P energy: -52.389
bonds (distance) P-C4' energy: -40.039
flat angles C4'-P-C4' energy: -54.216
flat angles P-C4'-P energy: -33.488
tors. eta vs tors. theta energy: -55.307
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: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -654.803592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.803592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.803592 (E_RNA)
where:
Base-Base interactions energy: -463.798
where: short stacking energy: -207.219
Base-Backbone interact. energy: -1.223
local terms energy: -189.782798
where:
bonds (distance) C4'-P energy: -29.824
bonds (distance) P-C4' energy: -36.699
flat angles C4'-P-C4' energy: -47.343
flat angles P-C4'-P energy: -29.473
tors. eta vs tors. theta energy: -46.443
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: 9, replica: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -464.208644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.208644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.208644 (E_RNA)
where:
Base-Base interactions energy: -274.580
where: short stacking energy: -103.727
Base-Backbone interact. energy: -1.656
local terms energy: -187.972565
where:
bonds (distance) C4'-P energy: -45.016
bonds (distance) P-C4' energy: -49.497
flat angles C4'-P-C4' energy: -48.400
flat angles P-C4'-P energy: -29.297
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -224.039102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.039102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.039102 (E_RNA)
where:
Base-Base interactions energy: -88.203
where: short stacking energy: -60.429
Base-Backbone interact. energy: 3.636
local terms energy: -139.471926
where:
bonds (distance) C4'-P energy: -51.529
bonds (distance) P-C4' energy: -40.834
flat angles C4'-P-C4' energy: -36.268
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: 8.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -964.299530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.299530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.299530 (E_RNA)
where:
Base-Base interactions energy: -663.465
where: short stacking energy: -286.204
Base-Backbone interact. energy: -1.043
local terms energy: -299.792190
where:
bonds (distance) C4'-P energy: -55.658
bonds (distance) P-C4' energy: -55.545
flat angles C4'-P-C4' energy: -55.476
flat angles P-C4'-P energy: -42.760
tors. eta vs tors. theta energy: -90.353
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: 6
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -938.570656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.570656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.570656 (E_RNA)
where:
Base-Base interactions energy: -650.896
where: short stacking energy: -287.231
Base-Backbone interact. energy: 0.059
local terms energy: -287.733086
where:
bonds (distance) C4'-P energy: -41.270
bonds (distance) P-C4' energy: -54.305
flat angles C4'-P-C4' energy: -59.592
flat angles P-C4'-P energy: -44.014
tors. eta vs tors. theta energy: -88.551
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: 90
Temperature: 1.000000
Total energy: -933.579654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.579654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.579654 (E_RNA)
where:
Base-Base interactions energy: -655.383
where: short stacking energy: -278.079
Base-Backbone interact. energy: -0.051
local terms energy: -278.145463
where:
bonds (distance) C4'-P energy: -55.879
bonds (distance) P-C4' energy: -45.294
flat angles C4'-P-C4' energy: -56.437
flat angles P-C4'-P energy: -36.439
tors. eta vs tors. theta energy: -84.096
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: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -866.935327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.935327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.935327 (E_RNA)
where:
Base-Base interactions energy: -597.143
where: short stacking energy: -260.649
Base-Backbone interact. energy: -2.372
local terms energy: -267.420026
where:
bonds (distance) C4'-P energy: -43.760
bonds (distance) P-C4' energy: -54.602
flat angles C4'-P-C4' energy: -54.323
flat angles P-C4'-P energy: -35.855
tors. eta vs tors. theta energy: -78.880
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: 90
Temperature: 1.100000
Total energy: -794.167028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.167028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.167028 (E_RNA)
where:
Base-Base interactions energy: -548.572
where: short stacking energy: -223.192
Base-Backbone interact. energy: -0.901
local terms energy: -244.693347
where:
bonds (distance) C4'-P energy: -40.686
bonds (distance) P-C4' energy: -54.082
flat angles C4'-P-C4' energy: -55.636
flat angles P-C4'-P energy: -35.411
tors. eta vs tors. theta energy: -58.878
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: 6, replica: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -738.556765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.556765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.556765 (E_RNA)
where:
Base-Base interactions energy: -495.796
where: short stacking energy: -217.403
Base-Backbone interact. energy: -0.612
local terms energy: -242.148853
where:
bonds (distance) C4'-P energy: -50.179
bonds (distance) P-C4' energy: -50.344
flat angles C4'-P-C4' energy: -57.261
flat angles P-C4'-P energy: -25.787
tors. eta vs tors. theta energy: -58.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -729.212968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.212968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.212968 (E_RNA)
where:
Base-Base interactions energy: -499.460
where: short stacking energy: -219.860
Base-Backbone interact. energy: 1.558
local terms energy: -231.311262
where:
bonds (distance) C4'-P energy: -49.657
bonds (distance) P-C4' energy: -50.813
flat angles C4'-P-C4' energy: -54.793
flat angles P-C4'-P energy: -25.454
tors. eta vs tors. theta energy: -50.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -679.769628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.769628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.769628 (E_RNA)
where:
Base-Base interactions energy: -469.509
where: short stacking energy: -179.236
Base-Backbone interact. energy: -1.318
local terms energy: -208.942679
where:
bonds (distance) C4'-P energy: -37.116
bonds (distance) P-C4' energy: -40.943
flat angles C4'-P-C4' energy: -50.533
flat angles P-C4'-P energy: -27.849
tors. eta vs tors. theta energy: -52.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -432.872981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.872981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.872981 (E_RNA)
where:
Base-Base interactions energy: -263.795
where: short stacking energy: -117.702
Base-Backbone interact. energy: -1.649
local terms energy: -167.429441
where:
bonds (distance) C4'-P energy: -38.064
bonds (distance) P-C4' energy: -51.579
flat angles C4'-P-C4' energy: -39.132
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: -21.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -230.259054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.259054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.259054 (E_RNA)
where:
Base-Base interactions energy: -87.206
where: short stacking energy: -74.696
Base-Backbone interact. energy: 0.413
local terms energy: -143.466022
where:
bonds (distance) C4'-P energy: -45.011
bonds (distance) P-C4' energy: -45.236
flat angles C4'-P-C4' energy: -44.046
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: 1.248
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: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -960.203108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.203108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.203108 (E_RNA)
where:
Base-Base interactions energy: -668.415
where: short stacking energy: -295.863
Base-Backbone interact. energy: -1.935
local terms energy: -289.852535
where:
bonds (distance) C4'-P energy: -52.009
bonds (distance) P-C4' energy: -55.156
flat angles C4'-P-C4' energy: -58.035
flat angles P-C4'-P energy: -38.394
tors. eta vs tors. theta energy: -86.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -940.081641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.081641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.081641 (E_RNA)
where:
Base-Base interactions energy: -636.738
where: short stacking energy: -284.908
Base-Backbone interact. energy: 0.204
local terms energy: -303.548088
where:
bonds (distance) C4'-P energy: -55.666
bonds (distance) P-C4' energy: -48.982
flat angles C4'-P-C4' energy: -63.206
flat angles P-C4'-P energy: -45.216
tors. eta vs tors. theta energy: -90.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -913.549289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.549289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.549289 (E_RNA)
where:
Base-Base interactions energy: -614.726
where: short stacking energy: -270.994
Base-Backbone interact. energy: -1.337
local terms energy: -297.485773
where:
bonds (distance) C4'-P energy: -57.103
bonds (distance) P-C4' energy: -49.085
flat angles C4'-P-C4' energy: -65.403
flat angles P-C4'-P energy: -43.947
tors. eta vs tors. theta energy: -81.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -904.683020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.683020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.683020 (E_RNA)
where:
Base-Base interactions energy: -625.440
where: short stacking energy: -275.800
Base-Backbone interact. energy: -1.516
local terms energy: -277.726809
where:
bonds (distance) C4'-P energy: -44.441
bonds (distance) P-C4' energy: -50.994
flat angles C4'-P-C4' energy: -53.716
flat angles P-C4'-P energy: -39.510
tors. eta vs tors. theta energy: -89.065
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: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -819.424261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.424261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.424261 (E_RNA)
where:
Base-Base interactions energy: -579.862
where: short stacking energy: -219.085
Base-Backbone interact. energy: -0.171
local terms energy: -239.391863
where:
bonds (distance) C4'-P energy: -43.641
bonds (distance) P-C4' energy: -50.927
flat angles C4'-P-C4' energy: -58.270
flat angles P-C4'-P energy: -27.159
tors. eta vs tors. theta energy: -59.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -789.631996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.631996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.631996 (E_RNA)
where:
Base-Base interactions energy: -541.019
where: short stacking energy: -228.376
Base-Backbone interact. energy: 1.908
local terms energy: -250.520714
where:
bonds (distance) C4'-P energy: -44.523
bonds (distance) P-C4' energy: -47.703
flat angles C4'-P-C4' energy: -57.050
flat angles P-C4'-P energy: -31.927
tors. eta vs tors. theta energy: -69.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -711.436844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.436844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.436844 (E_RNA)
where:
Base-Base interactions energy: -484.109
where: short stacking energy: -202.244
Base-Backbone interact. energy: -1.252
local terms energy: -226.075004
where:
bonds (distance) C4'-P energy: -34.265
bonds (distance) P-C4' energy: -53.345
flat angles C4'-P-C4' energy: -52.588
flat angles P-C4'-P energy: -34.665
tors. eta vs tors. theta energy: -51.212
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: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -676.170796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.170796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.170796 (E_RNA)
where:
Base-Base interactions energy: -470.379
where: short stacking energy: -170.928
Base-Backbone interact. energy: -0.302
local terms energy: -205.489306
where:
bonds (distance) C4'-P energy: -35.036
bonds (distance) P-C4' energy: -32.780
flat angles C4'-P-C4' energy: -43.330
flat angles P-C4'-P energy: -38.802
tors. eta vs tors. theta energy: -55.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -466.990047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.990047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.990047 (E_RNA)
where:
Base-Base interactions energy: -290.369
where: short stacking energy: -131.477
Base-Backbone interact. energy: 1.329
local terms energy: -177.949458
where:
bonds (distance) C4'-P energy: -37.094
bonds (distance) P-C4' energy: -47.118
flat angles C4'-P-C4' energy: -41.477
flat angles P-C4'-P energy: -27.891
tors. eta vs tors. theta energy: -24.369
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: 10
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -211.332566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.332566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.332566 (E_RNA)
where:
Base-Base interactions energy: -57.751
where: short stacking energy: -43.629
Base-Backbone interact. energy: 1.097
local terms energy: -154.678243
where:
bonds (distance) C4'-P energy: -50.306
bonds (distance) P-C4' energy: -45.590
flat angles C4'-P-C4' energy: -39.254
flat angles P-C4'-P energy: -24.780
tors. eta vs tors. theta energy: 5.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -960.391239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.391239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.391239 (E_RNA)
where:
Base-Base interactions energy: -667.161
where: short stacking energy: -295.676
Base-Backbone interact. energy: -0.632
local terms energy: -292.597566
where:
bonds (distance) C4'-P energy: -52.066
bonds (distance) P-C4' energy: -48.278
flat angles C4'-P-C4' energy: -61.376
flat angles P-C4'-P energy: -38.977
tors. eta vs tors. theta energy: -91.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -933.039319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.039319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.039319 (E_RNA)
where:
Base-Base interactions energy: -638.420
where: short stacking energy: -269.648
Base-Backbone interact. energy: -0.582
local terms energy: -294.037357
where:
bonds (distance) C4'-P energy: -57.942
bonds (distance) P-C4' energy: -49.636
flat angles C4'-P-C4' energy: -62.886
flat angles P-C4'-P energy: -36.581
tors. eta vs tors. theta energy: -86.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -936.365455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.365455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.365455 (E_RNA)
where:
Base-Base interactions energy: -663.082
where: short stacking energy: -300.203
Base-Backbone interact. energy: -0.950
local terms energy: -272.333741
where:
bonds (distance) C4'-P energy: -46.986
bonds (distance) P-C4' energy: -45.073
flat angles C4'-P-C4' energy: -64.250
flat angles P-C4'-P energy: -27.035
tors. eta vs tors. theta energy: -88.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -920.788533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.788533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.788533 (E_RNA)
where:
Base-Base interactions energy: -644.192
where: short stacking energy: -289.293
Base-Backbone interact. energy: -0.695
local terms energy: -275.902278
where:
bonds (distance) C4'-P energy: -44.566
bonds (distance) P-C4' energy: -47.138
flat angles C4'-P-C4' energy: -56.955
flat angles P-C4'-P energy: -38.191
tors. eta vs tors. theta energy: -89.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -808.313552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.313552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.313552 (E_RNA)
where:
Base-Base interactions energy: -560.856
where: short stacking energy: -226.869
Base-Backbone interact. energy: 0.817
local terms energy: -248.274820
where:
bonds (distance) C4'-P energy: -39.247
bonds (distance) P-C4' energy: -56.074
flat angles C4'-P-C4' energy: -49.775
flat angles P-C4'-P energy: -34.112
tors. eta vs tors. theta energy: -69.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -799.725691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.725691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.725691 (E_RNA)
where:
Base-Base interactions energy: -549.708
where: short stacking energy: -214.323
Base-Backbone interact. energy: 1.506
local terms energy: -251.523246
where:
bonds (distance) C4'-P energy: -56.178
bonds (distance) P-C4' energy: -51.916
flat angles C4'-P-C4' energy: -50.735
flat angles P-C4'-P energy: -31.079
tors. eta vs tors. theta energy: -61.616
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: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -706.793404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.793404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.793404 (E_RNA)
where:
Base-Base interactions energy: -484.809
where: short stacking energy: -207.556
Base-Backbone interact. energy: -0.495
local terms energy: -221.489035
where:
bonds (distance) C4'-P energy: -43.769
bonds (distance) P-C4' energy: -43.344
flat angles C4'-P-C4' energy: -53.232
flat angles P-C4'-P energy: -29.757
tors. eta vs tors. theta energy: -51.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -675.353011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.353011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.353011 (E_RNA)
where:
Base-Base interactions energy: -455.483
where: short stacking energy: -205.826
Base-Backbone interact. energy: -1.130
local terms energy: -218.739939
where:
bonds (distance) C4'-P energy: -47.660
bonds (distance) P-C4' energy: -43.139
flat angles C4'-P-C4' energy: -41.111
flat angles P-C4'-P energy: -33.045
tors. eta vs tors. theta energy: -53.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -531.111491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.111491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.111491 (E_RNA)
where:
Base-Base interactions energy: -353.430
where: short stacking energy: -161.521
Base-Backbone interact. energy: -2.680
local terms energy: -175.002071
where:
bonds (distance) C4'-P energy: -42.802
bonds (distance) P-C4' energy: -46.863
flat angles C4'-P-C4' energy: -34.950
flat angles P-C4'-P energy: -21.999
tors. eta vs tors. theta energy: -28.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -220.045919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.045919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.045919 (E_RNA)
where:
Base-Base interactions energy: -77.044
where: short stacking energy: -72.615
Base-Backbone interact. energy: -0.921
local terms energy: -142.081219
where:
bonds (distance) C4'-P energy: -45.769
bonds (distance) P-C4' energy: -50.276
flat angles C4'-P-C4' energy: -29.285
flat angles P-C4'-P energy: -23.922
tors. eta vs tors. theta energy: 7.171
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: 6
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -951.609034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.609034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.609034 (E_RNA)
where:
Base-Base interactions energy: -655.550
where: short stacking energy: -300.942
Base-Backbone interact. energy: -0.499
local terms energy: -295.559553
where:
bonds (distance) C4'-P energy: -57.853
bonds (distance) P-C4' energy: -47.892
flat angles C4'-P-C4' energy: -58.622
flat angles P-C4'-P energy: -40.157
tors. eta vs tors. theta energy: -91.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -945.029777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.029777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.029777 (E_RNA)
where:
Base-Base interactions energy: -646.276
where: short stacking energy: -286.219
Base-Backbone interact. energy: -0.591
local terms energy: -298.162777
where:
bonds (distance) C4'-P energy: -58.970
bonds (distance) P-C4' energy: -53.224
flat angles C4'-P-C4' energy: -59.777
flat angles P-C4'-P energy: -36.318
tors. eta vs tors. theta energy: -89.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -918.752214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.752214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.752214 (E_RNA)
where:
Base-Base interactions energy: -640.684
where: short stacking energy: -286.959
Base-Backbone interact. energy: -0.567
local terms energy: -277.501198
where:
bonds (distance) C4'-P energy: -45.494
bonds (distance) P-C4' energy: -48.097
flat angles C4'-P-C4' energy: -58.455
flat angles P-C4'-P energy: -40.837
tors. eta vs tors. theta energy: -84.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -894.569902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.569902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.569902 (E_RNA)
where:
Base-Base interactions energy: -622.446
where: short stacking energy: -269.961
Base-Backbone interact. energy: 0.734
local terms energy: -272.858165
where:
bonds (distance) C4'-P energy: -49.006
bonds (distance) P-C4' energy: -48.944
flat angles C4'-P-C4' energy: -51.461
flat angles P-C4'-P energy: -43.073
tors. eta vs tors. theta energy: -80.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -820.025433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.025433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.025433 (E_RNA)
where:
Base-Base interactions energy: -549.961
where: short stacking energy: -240.819
Base-Backbone interact. energy: -0.032
local terms energy: -270.033086
where:
bonds (distance) C4'-P energy: -45.670
bonds (distance) P-C4' energy: -44.651
flat angles C4'-P-C4' energy: -65.222
flat angles P-C4'-P energy: -41.087
tors. eta vs tors. theta energy: -73.402
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: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -763.321673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.321673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.321673 (E_RNA)
where:
Base-Base interactions energy: -531.511
where: short stacking energy: -200.161
Base-Backbone interact. energy: -0.947
local terms energy: -230.863557
where:
bonds (distance) C4'-P energy: -48.737
bonds (distance) P-C4' energy: -58.654
flat angles C4'-P-C4' energy: -40.148
flat angles P-C4'-P energy: -41.943
tors. eta vs tors. theta energy: -41.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -686.356594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.356594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.356594 (E_RNA)
where:
Base-Base interactions energy: -484.544
where: short stacking energy: -191.936
Base-Backbone interact. energy: -0.584
local terms energy: -201.228592
where:
bonds (distance) C4'-P energy: -40.743
bonds (distance) P-C4' energy: -44.045
flat angles C4'-P-C4' energy: -42.213
flat angles P-C4'-P energy: -33.091
tors. eta vs tors. theta energy: -41.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -687.603736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.603736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.603736 (E_RNA)
where:
Base-Base interactions energy: -474.952
where: short stacking energy: -206.792
Base-Backbone interact. energy: -0.611
local terms energy: -212.040942
where:
bonds (distance) C4'-P energy: -33.353
bonds (distance) P-C4' energy: -52.043
flat angles C4'-P-C4' energy: -45.450
flat angles P-C4'-P energy: -30.310
tors. eta vs tors. theta energy: -50.884
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: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -508.118631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.118631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.118631 (E_RNA)
where:
Base-Base interactions energy: -321.125
where: short stacking energy: -156.652
Base-Backbone interact. energy: -0.600
local terms energy: -186.393977
where:
bonds (distance) C4'-P energy: -47.288
bonds (distance) P-C4' energy: -34.388
flat angles C4'-P-C4' energy: -43.817
flat angles P-C4'-P energy: -24.663
tors. eta vs tors. theta energy: -36.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -234.759176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.759176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.759176 (E_RNA)
where:
Base-Base interactions energy: -80.709
where: short stacking energy: -66.126
Base-Backbone interact. energy: -1.600
local terms energy: -152.450548
where:
bonds (distance) C4'-P energy: -50.377
bonds (distance) P-C4' energy: -36.984
flat angles C4'-P-C4' energy: -49.840
flat angles P-C4'-P energy: -19.845
tors. eta vs tors. theta energy: 4.596
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: 6
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -955.820910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.820910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.820910 (E_RNA)
where:
Base-Base interactions energy: -671.936
where: short stacking energy: -300.912
Base-Backbone interact. energy: -1.005
local terms energy: -282.879461
where:
bonds (distance) C4'-P energy: -53.813
bonds (distance) P-C4' energy: -45.514
flat angles C4'-P-C4' energy: -60.235
flat angles P-C4'-P energy: -39.390
tors. eta vs tors. theta energy: -83.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -933.220290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.220290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.220290 (E_RNA)
where:
Base-Base interactions energy: -635.868
where: short stacking energy: -276.006
Base-Backbone interact. energy: 0.217
local terms energy: -297.569806
where:
bonds (distance) C4'-P energy: -51.112
bonds (distance) P-C4' energy: -53.252
flat angles C4'-P-C4' energy: -63.275
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -87.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -922.355774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.355774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.355774 (E_RNA)
where:
Base-Base interactions energy: -643.181
where: short stacking energy: -275.697
Base-Backbone interact. energy: 4.392
local terms energy: -283.566645
where:
bonds (distance) C4'-P energy: -47.341
bonds (distance) P-C4' energy: -51.107
flat angles C4'-P-C4' energy: -61.977
flat angles P-C4'-P energy: -37.919
tors. eta vs tors. theta energy: -85.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -863.626774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.626774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.626774 (E_RNA)
where:
Base-Base interactions energy: -606.473
where: short stacking energy: -260.976
Base-Backbone interact. energy: -0.864
local terms energy: -256.289528
where:
bonds (distance) C4'-P energy: -36.834
bonds (distance) P-C4' energy: -53.787
flat angles C4'-P-C4' energy: -50.640
flat angles P-C4'-P energy: -37.379
tors. eta vs tors. theta energy: -77.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -795.440766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.440766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.440766 (E_RNA)
where:
Base-Base interactions energy: -563.290
where: short stacking energy: -234.007
Base-Backbone interact. energy: -1.109
local terms energy: -231.041909
where:
bonds (distance) C4'-P energy: -49.367
bonds (distance) P-C4' energy: -39.566
flat angles C4'-P-C4' energy: -50.395
flat angles P-C4'-P energy: -35.386
tors. eta vs tors. theta energy: -56.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -789.036006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.036006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.036006 (E_RNA)
where:
Base-Base interactions energy: -538.066
where: short stacking energy: -233.015
Base-Backbone interact. energy: -0.865
local terms energy: -250.104410
where:
bonds (distance) C4'-P energy: -39.726
bonds (distance) P-C4' energy: -49.050
flat angles C4'-P-C4' energy: -57.788
flat angles P-C4'-P energy: -32.069
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: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -693.548630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.548630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.548630 (E_RNA)
where:
Base-Base interactions energy: -463.669
where: short stacking energy: -188.951
Base-Backbone interact. energy: -0.398
local terms energy: -229.482313
where:
bonds (distance) C4'-P energy: -47.248
bonds (distance) P-C4' energy: -46.872
flat angles C4'-P-C4' energy: -55.234
flat angles P-C4'-P energy: -33.492
tors. eta vs tors. theta energy: -46.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -717.689870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.689870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.689870 (E_RNA)
where:
Base-Base interactions energy: -479.437
where: short stacking energy: -193.967
Base-Backbone interact. energy: 0.249
local terms energy: -238.501615
where:
bonds (distance) C4'-P energy: -51.155
bonds (distance) P-C4' energy: -45.922
flat angles C4'-P-C4' energy: -45.373
flat angles P-C4'-P energy: -39.292
tors. eta vs tors. theta energy: -56.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -509.208116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.208116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.208116 (E_RNA)
where:
Base-Base interactions energy: -324.729
where: short stacking energy: -148.502
Base-Backbone interact. energy: -0.860
local terms energy: -183.619066
where:
bonds (distance) C4'-P energy: -41.820
bonds (distance) P-C4' energy: -46.883
flat angles C4'-P-C4' energy: -41.400
flat angles P-C4'-P energy: -26.995
tors. eta vs tors. theta energy: -26.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -249.201163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.201163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.201163 (E_RNA)
where:
Base-Base interactions energy: -96.982
where: short stacking energy: -67.896
Base-Backbone interact. energy: -0.216
local terms energy: -152.002319
where:
bonds (distance) C4'-P energy: -43.399
bonds (distance) P-C4' energy: -48.494
flat angles C4'-P-C4' energy: -44.789
flat angles P-C4'-P energy: -23.774
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: 1, replica: 6
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -946.360181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.360181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.360181 (E_RNA)
where:
Base-Base interactions energy: -659.806
where: short stacking energy: -283.216
Base-Backbone interact. energy: -1.119
local terms energy: -285.435840
where:
bonds (distance) C4'-P energy: -50.851
bonds (distance) P-C4' energy: -46.918
flat angles C4'-P-C4' energy: -58.328
flat angles P-C4'-P energy: -45.208
tors. eta vs tors. theta energy: -84.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -923.634524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.634524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.634524 (E_RNA)
where:
Base-Base interactions energy: -637.997
where: short stacking energy: -277.537
Base-Backbone interact. energy: -3.097
local terms energy: -282.539832
where:
bonds (distance) C4'-P energy: -47.978
bonds (distance) P-C4' energy: -57.216
flat angles C4'-P-C4' energy: -57.542
flat angles P-C4'-P energy: -39.273
tors. eta vs tors. theta energy: -80.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -904.596221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.596221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.596221 (E_RNA)
where:
Base-Base interactions energy: -632.039
where: short stacking energy: -270.070
Base-Backbone interact. energy: -1.701
local terms energy: -270.855993
where:
bonds (distance) C4'-P energy: -43.944
bonds (distance) P-C4' energy: -61.440
flat angles C4'-P-C4' energy: -54.743
flat angles P-C4'-P energy: -34.189
tors. eta vs tors. theta energy: -76.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -875.948352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.948352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.948352 (E_RNA)
where:
Base-Base interactions energy: -606.707
where: short stacking energy: -249.466
Base-Backbone interact. energy: -0.928
local terms energy: -268.313228
where:
bonds (distance) C4'-P energy: -56.521
bonds (distance) P-C4' energy: -45.909
flat angles C4'-P-C4' energy: -57.855
flat angles P-C4'-P energy: -34.083
tors. eta vs tors. theta energy: -73.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -789.149202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.149202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.149202 (E_RNA)
where:
Base-Base interactions energy: -553.216
where: short stacking energy: -212.003
Base-Backbone interact. energy: -1.906
local terms energy: -234.027613
where:
bonds (distance) C4'-P energy: -34.137
bonds (distance) P-C4' energy: -57.277
flat angles C4'-P-C4' energy: -50.494
flat angles P-C4'-P energy: -41.777
tors. eta vs tors. theta energy: -50.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -787.393663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.393663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.393663 (E_RNA)
where:
Base-Base interactions energy: -527.694
where: short stacking energy: -202.030
Base-Backbone interact. energy: -1.102
local terms energy: -258.597571
where:
bonds (distance) C4'-P energy: -47.394
bonds (distance) P-C4' energy: -53.786
flat angles C4'-P-C4' energy: -49.469
flat angles P-C4'-P energy: -39.121
tors. eta vs tors. theta energy: -68.827
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: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -689.634991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.634991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.634991 (E_RNA)
where:
Base-Base interactions energy: -455.383
where: short stacking energy: -194.744
Base-Backbone interact. energy: -0.027
local terms energy: -234.224568
where:
bonds (distance) C4'-P energy: -45.036
bonds (distance) P-C4' energy: -50.405
flat angles C4'-P-C4' energy: -57.757
flat angles P-C4'-P energy: -30.581
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: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -701.549509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.549509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.549509 (E_RNA)
where:
Base-Base interactions energy: -489.731
where: short stacking energy: -192.114
Base-Backbone interact. energy: -0.283
local terms energy: -211.535483
where:
bonds (distance) C4'-P energy: -33.749
bonds (distance) P-C4' energy: -39.219
flat angles C4'-P-C4' energy: -39.688
flat angles P-C4'-P energy: -42.796
tors. eta vs tors. theta energy: -56.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -530.177044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.177044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.177044 (E_RNA)
where:
Base-Base interactions energy: -324.292
where: short stacking energy: -154.916
Base-Backbone interact. energy: -0.129
local terms energy: -205.755940
where:
bonds (distance) C4'-P energy: -37.536
bonds (distance) P-C4' energy: -46.421
flat angles C4'-P-C4' energy: -41.359
flat angles P-C4'-P energy: -43.906
tors. eta vs tors. theta energy: -36.534
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: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -199.952899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.952899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.952899 (E_RNA)
where:
Base-Base interactions energy: -56.017
where: short stacking energy: -52.316
Base-Backbone interact. energy: 3.190
local terms energy: -147.125845
where:
bonds (distance) C4'-P energy: -30.942
bonds (distance) P-C4' energy: -51.420
flat angles C4'-P-C4' energy: -40.699
flat angles P-C4'-P energy: -31.061
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: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -952.004209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.004209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.004209 (E_RNA)
where:
Base-Base interactions energy: -658.149
where: short stacking energy: -283.866
Base-Backbone interact. energy: -1.908
local terms energy: -291.947287
where:
bonds (distance) C4'-P energy: -47.653
bonds (distance) P-C4' energy: -52.494
flat angles C4'-P-C4' energy: -62.540
flat angles P-C4'-P energy: -42.185
tors. eta vs tors. theta energy: -87.076
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: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -936.619005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.619005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.619005 (E_RNA)
where:
Base-Base interactions energy: -648.531
where: short stacking energy: -288.073
Base-Backbone interact. energy: -1.496
local terms energy: -286.591423
where:
bonds (distance) C4'-P energy: -49.268
bonds (distance) P-C4' energy: -44.218
flat angles C4'-P-C4' energy: -61.875
flat angles P-C4'-P energy: -44.840
tors. eta vs tors. theta energy: -86.392
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: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -889.423163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.423163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.423163 (E_RNA)
where:
Base-Base interactions energy: -611.048
where: short stacking energy: -268.333
Base-Backbone interact. energy: -1.200
local terms energy: -277.174986
where:
bonds (distance) C4'-P energy: -51.250
bonds (distance) P-C4' energy: -51.000
flat angles C4'-P-C4' energy: -59.947
flat angles P-C4'-P energy: -40.469
tors. eta vs tors. theta energy: -74.509
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: 4, replica: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -881.429136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.429136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.429136 (E_RNA)
where:
Base-Base interactions energy: -612.039
where: short stacking energy: -253.391
Base-Backbone interact. energy: -0.186
local terms energy: -269.204243
where:
bonds (distance) C4'-P energy: -48.076
bonds (distance) P-C4' energy: -43.382
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -43.080
tors. eta vs tors. theta energy: -78.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -811.484457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.484457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.484457 (E_RNA)
where:
Base-Base interactions energy: -556.607
where: short stacking energy: -248.246
Base-Backbone interact. energy: -0.545
local terms energy: -254.332201
where:
bonds (distance) C4'-P energy: -46.075
bonds (distance) P-C4' energy: -43.558
flat angles C4'-P-C4' energy: -48.797
flat angles P-C4'-P energy: -39.014
tors. eta vs tors. theta energy: -76.887
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: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -793.638967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.638967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.638967 (E_RNA)
where:
Base-Base interactions energy: -556.614
where: short stacking energy: -230.688
Base-Backbone interact. energy: -0.891
local terms energy: -236.133572
where:
bonds (distance) C4'-P energy: -50.555
bonds (distance) P-C4' energy: -47.834
flat angles C4'-P-C4' energy: -54.812
flat angles P-C4'-P energy: -36.079
tors. eta vs tors. theta energy: -46.853
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: 9
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -677.270559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.270559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.270559 (E_RNA)
where:
Base-Base interactions energy: -453.605
where: short stacking energy: -185.859
Base-Backbone interact. energy: -1.085
local terms energy: -222.580800
where:
bonds (distance) C4'-P energy: -45.118
bonds (distance) P-C4' energy: -44.530
flat angles C4'-P-C4' energy: -50.778
flat angles P-C4'-P energy: -35.866
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: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -695.508886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.508886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.508886 (E_RNA)
where:
Base-Base interactions energy: -473.787
where: short stacking energy: -196.584
Base-Backbone interact. energy: -0.321
local terms energy: -221.401314
where:
bonds (distance) C4'-P energy: -43.556
bonds (distance) P-C4' energy: -47.322
flat angles C4'-P-C4' energy: -45.635
flat angles P-C4'-P energy: -38.784
tors. eta vs tors. theta energy: -46.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -517.905818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.905818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.905818 (E_RNA)
where:
Base-Base interactions energy: -335.758
where: short stacking energy: -148.906
Base-Backbone interact. energy: -0.305
local terms energy: -181.843707
where:
bonds (distance) C4'-P energy: -45.592
bonds (distance) P-C4' energy: -42.160
flat angles C4'-P-C4' energy: -30.443
flat angles P-C4'-P energy: -29.706
tors. eta vs tors. theta energy: -33.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -224.428871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.428871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.428871 (E_RNA)
where:
Base-Base interactions energy: -76.050
where: short stacking energy: -70.203
Base-Backbone interact. energy: 1.296
local terms energy: -149.674924
where:
bonds (distance) C4'-P energy: -36.285
bonds (distance) P-C4' energy: -55.560
flat angles C4'-P-C4' energy: -35.068
flat angles P-C4'-P energy: -23.704
tors. eta vs tors. theta energy: 0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -940.072577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.072577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.072577 (E_RNA)
where:
Base-Base interactions energy: -629.036
where: short stacking energy: -281.478
Base-Backbone interact. energy: -1.388
local terms energy: -309.648528
where:
bonds (distance) C4'-P energy: -50.772
bonds (distance) P-C4' energy: -58.793
flat angles C4'-P-C4' energy: -61.774
flat angles P-C4'-P energy: -49.396
tors. eta vs tors. theta energy: -88.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -953.682374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.682374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.682374 (E_RNA)
where:
Base-Base interactions energy: -650.481
where: short stacking energy: -280.976
Base-Backbone interact. energy: -1.586
local terms energy: -301.615206
where:
bonds (distance) C4'-P energy: -55.527
bonds (distance) P-C4' energy: -59.219
flat angles C4'-P-C4' energy: -58.476
flat angles P-C4'-P energy: -44.863
tors. eta vs tors. theta energy: -83.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -865.285614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.285614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.285614 (E_RNA)
where:
Base-Base interactions energy: -598.012
where: short stacking energy: -252.509
Base-Backbone interact. energy: -1.445
local terms energy: -265.828402
where:
bonds (distance) C4'-P energy: -46.119
bonds (distance) P-C4' energy: -49.046
flat angles C4'-P-C4' energy: -55.659
flat angles P-C4'-P energy: -47.076
tors. eta vs tors. theta energy: -67.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -855.125764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.125764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.125764 (E_RNA)
where:
Base-Base interactions energy: -573.908
where: short stacking energy: -261.458
Base-Backbone interact. energy: -2.144
local terms energy: -279.073686
where:
bonds (distance) C4'-P energy: -52.384
bonds (distance) P-C4' energy: -55.604
flat angles C4'-P-C4' energy: -57.620
flat angles P-C4'-P energy: -39.179
tors. eta vs tors. theta energy: -74.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -858.524293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.524293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.524293 (E_RNA)
where:
Base-Base interactions energy: -609.577
where: short stacking energy: -227.316
Base-Backbone interact. energy: -0.235
local terms energy: -248.711556
where:
bonds (distance) C4'-P energy: -40.076
bonds (distance) P-C4' energy: -50.421
flat angles C4'-P-C4' energy: -56.457
flat angles P-C4'-P energy: -27.057
tors. eta vs tors. theta energy: -74.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -788.107749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.107749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.107749 (E_RNA)
where:
Base-Base interactions energy: -543.358
where: short stacking energy: -223.029
Base-Backbone interact. energy: -0.585
local terms energy: -244.164360
where:
bonds (distance) C4'-P energy: -48.566
bonds (distance) P-C4' energy: -50.503
flat angles C4'-P-C4' energy: -49.865
flat angles P-C4'-P energy: -34.802
tors. eta vs tors. theta energy: -60.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -667.848438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.848438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.848438 (E_RNA)
where:
Base-Base interactions energy: -446.750
where: short stacking energy: -168.738
Base-Backbone interact. energy: -0.824
local terms energy: -220.274446
where:
bonds (distance) C4'-P energy: -45.147
bonds (distance) P-C4' energy: -49.415
flat angles C4'-P-C4' energy: -51.483
flat angles P-C4'-P energy: -24.127
tors. eta vs tors. theta energy: -50.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -709.702108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.702108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.702108 (E_RNA)
where:
Base-Base interactions energy: -488.887
where: short stacking energy: -200.344
Base-Backbone interact. energy: -2.070
local terms energy: -218.744688
where:
bonds (distance) C4'-P energy: -43.856
bonds (distance) P-C4' energy: -52.798
flat angles C4'-P-C4' energy: -45.422
flat angles P-C4'-P energy: -26.839
tors. eta vs tors. theta energy: -49.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -504.755952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.755952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.755952 (E_RNA)
where:
Base-Base interactions energy: -304.782
where: short stacking energy: -131.584
Base-Backbone interact. energy: -1.212
local terms energy: -198.762081
where:
bonds (distance) C4'-P energy: -52.329
bonds (distance) P-C4' energy: -32.243
flat angles C4'-P-C4' energy: -44.366
flat angles P-C4'-P energy: -39.276
tors. eta vs tors. theta energy: -30.549
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: 97
Temperature: 1.350000
Total energy: -236.990921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.990921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.990921 (E_RNA)
where:
Base-Base interactions energy: -96.704
where: short stacking energy: -68.629
Base-Backbone interact. energy: -0.862
local terms energy: -139.425479
where:
bonds (distance) C4'-P energy: -40.379
bonds (distance) P-C4' energy: -46.527
flat angles C4'-P-C4' energy: -43.545
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: 2.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -952.226122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.226122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.226122 (E_RNA)
where:
Base-Base interactions energy: -648.767
where: short stacking energy: -292.362
Base-Backbone interact. energy: -0.958
local terms energy: -302.501546
where:
bonds (distance) C4'-P energy: -49.592
bonds (distance) P-C4' energy: -57.745
flat angles C4'-P-C4' energy: -60.709
flat angles P-C4'-P energy: -44.133
tors. eta vs tors. theta energy: -90.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -930.353052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.353052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.353052 (E_RNA)
where:
Base-Base interactions energy: -636.606
where: short stacking energy: -268.520
Base-Backbone interact. energy: -1.035
local terms energy: -292.711919
where:
bonds (distance) C4'-P energy: -47.756
bonds (distance) P-C4' energy: -58.080
flat angles C4'-P-C4' energy: -60.724
flat angles P-C4'-P energy: -41.445
tors. eta vs tors. theta energy: -84.707
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: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -843.288185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.288185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.288185 (E_RNA)
where:
Base-Base interactions energy: -567.553
where: short stacking energy: -242.954
Base-Backbone interact. energy: -0.390
local terms energy: -275.345022
where:
bonds (distance) C4'-P energy: -53.830
bonds (distance) P-C4' energy: -54.462
flat angles C4'-P-C4' energy: -52.693
flat angles P-C4'-P energy: -47.138
tors. eta vs tors. theta energy: -67.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -856.712997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.712997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.712997 (E_RNA)
where:
Base-Base interactions energy: -586.320
where: short stacking energy: -236.347
Base-Backbone interact. energy: 1.267
local terms energy: -271.660451
where:
bonds (distance) C4'-P energy: -50.939
bonds (distance) P-C4' energy: -45.032
flat angles C4'-P-C4' energy: -61.739
flat angles P-C4'-P energy: -45.348
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: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -889.940517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.940517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.940517 (E_RNA)
where:
Base-Base interactions energy: -609.773
where: short stacking energy: -255.967
Base-Backbone interact. energy: -0.110
local terms energy: -280.057330
where:
bonds (distance) C4'-P energy: -51.308
bonds (distance) P-C4' energy: -50.451
flat angles C4'-P-C4' energy: -59.917
flat angles P-C4'-P energy: -40.331
tors. eta vs tors. theta energy: -78.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -755.103914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.103914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.103914 (E_RNA)
where:
Base-Base interactions energy: -518.739
where: short stacking energy: -196.035
Base-Backbone interact. energy: -1.128
local terms energy: -235.236796
where:
bonds (distance) C4'-P energy: -51.703
bonds (distance) P-C4' energy: -47.476
flat angles C4'-P-C4' energy: -52.636
flat angles P-C4'-P energy: -33.532
tors. eta vs tors. theta energy: -49.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -727.117046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.117046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.117046 (E_RNA)
where:
Base-Base interactions energy: -502.486
where: short stacking energy: -187.294
Base-Backbone interact. energy: -1.170
local terms energy: -223.461773
where:
bonds (distance) C4'-P energy: -47.404
bonds (distance) P-C4' energy: -53.158
flat angles C4'-P-C4' energy: -44.203
flat angles P-C4'-P energy: -29.930
tors. eta vs tors. theta energy: -48.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -684.932723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.932723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.932723 (E_RNA)
where:
Base-Base interactions energy: -474.021
where: short stacking energy: -193.489
Base-Backbone interact. energy: -1.554
local terms energy: -209.358264
where:
bonds (distance) C4'-P energy: -51.919
bonds (distance) P-C4' energy: -39.991
flat angles C4'-P-C4' energy: -40.743
flat angles P-C4'-P energy: -33.016
tors. eta vs tors. theta energy: -43.689
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: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -480.861209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.861209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.861209 (E_RNA)
where:
Base-Base interactions energy: -283.337
where: short stacking energy: -112.898
Base-Backbone interact. energy: -1.632
local terms energy: -195.892597
where:
bonds (distance) C4'-P energy: -45.206
bonds (distance) P-C4' energy: -46.446
flat angles C4'-P-C4' energy: -54.470
flat angles P-C4'-P energy: -29.142
tors. eta vs tors. theta energy: -20.628
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: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -244.052767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.052767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.052767 (E_RNA)
where:
Base-Base interactions energy: -95.225
where: short stacking energy: -79.390
Base-Backbone interact. energy: 3.719
local terms energy: -152.546714
where:
bonds (distance) C4'-P energy: -35.332
bonds (distance) P-C4' energy: -47.620
flat angles C4'-P-C4' energy: -41.162
flat angles P-C4'-P energy: -27.726
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: 1, replica: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -951.097183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.097183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.097183 (E_RNA)
where:
Base-Base interactions energy: -646.847
where: short stacking energy: -290.831
Base-Backbone interact. energy: -0.914
local terms energy: -303.335723
where:
bonds (distance) C4'-P energy: -52.886
bonds (distance) P-C4' energy: -55.176
flat angles C4'-P-C4' energy: -59.390
flat angles P-C4'-P energy: -47.370
tors. eta vs tors. theta energy: -88.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -932.502561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.502561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.502561 (E_RNA)
where:
Base-Base interactions energy: -627.927
where: short stacking energy: -280.829
Base-Backbone interact. energy: -0.750
local terms energy: -303.825941
where:
bonds (distance) C4'-P energy: -61.654
bonds (distance) P-C4' energy: -51.326
flat angles C4'-P-C4' energy: -63.646
flat angles P-C4'-P energy: -45.142
tors. eta vs tors. theta energy: -82.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -838.568627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.568627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.568627 (E_RNA)
where:
Base-Base interactions energy: -577.049
where: short stacking energy: -248.593
Base-Backbone interact. energy: 1.114
local terms energy: -262.633811
where:
bonds (distance) C4'-P energy: -49.753
bonds (distance) P-C4' energy: -54.173
flat angles C4'-P-C4' energy: -54.346
flat angles P-C4'-P energy: -37.511
tors. eta vs tors. theta energy: -66.850
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: 1
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -897.061480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.061480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.061480 (E_RNA)
where:
Base-Base interactions energy: -625.739
where: short stacking energy: -260.522
Base-Backbone interact. energy: 0.544
local terms energy: -271.866283
where:
bonds (distance) C4'-P energy: -45.757
bonds (distance) P-C4' energy: -59.377
flat angles C4'-P-C4' energy: -47.624
flat angles P-C4'-P energy: -41.417
tors. eta vs tors. theta energy: -77.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -827.614224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.614224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.614224 (E_RNA)
where:
Base-Base interactions energy: -576.917
where: short stacking energy: -231.646
Base-Backbone interact. energy: -0.197
local terms energy: -250.500000
where:
bonds (distance) C4'-P energy: -39.747
bonds (distance) P-C4' energy: -53.388
flat angles C4'-P-C4' energy: -55.443
flat angles P-C4'-P energy: -35.317
tors. eta vs tors. theta energy: -66.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -758.337619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.337619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.337619 (E_RNA)
where:
Base-Base interactions energy: -523.672
where: short stacking energy: -212.318
Base-Backbone interact. energy: -0.672
local terms energy: -233.994566
where:
bonds (distance) C4'-P energy: -39.359
bonds (distance) P-C4' energy: -46.947
flat angles C4'-P-C4' energy: -55.843
flat angles P-C4'-P energy: -31.017
tors. eta vs tors. theta energy: -60.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -742.021174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.021174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.021174 (E_RNA)
where:
Base-Base interactions energy: -510.467
where: short stacking energy: -211.960
Base-Backbone interact. energy: 2.901
local terms energy: -234.455373
where:
bonds (distance) C4'-P energy: -46.152
bonds (distance) P-C4' energy: -47.733
flat angles C4'-P-C4' energy: -48.197
flat angles P-C4'-P energy: -36.213
tors. eta vs tors. theta energy: -56.161
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: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -700.209866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.209866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.209866 (E_RNA)
where:
Base-Base interactions energy: -479.868
where: short stacking energy: -205.527
Base-Backbone interact. energy: -0.541
local terms energy: -219.801325
where:
bonds (distance) C4'-P energy: -44.457
bonds (distance) P-C4' energy: -40.930
flat angles C4'-P-C4' energy: -44.406
flat angles P-C4'-P energy: -38.236
tors. eta vs tors. theta energy: -51.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -485.878040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.878040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.878040 (E_RNA)
where:
Base-Base interactions energy: -319.913
where: short stacking energy: -131.122
Base-Backbone interact. energy: -0.787
local terms energy: -165.177507
where:
bonds (distance) C4'-P energy: -33.388
bonds (distance) P-C4' energy: -48.373
flat angles C4'-P-C4' energy: -38.158
flat angles P-C4'-P energy: -25.111
tors. eta vs tors. theta energy: -20.148
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: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -235.347923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.347923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.347923 (E_RNA)
where:
Base-Base interactions energy: -88.645
where: short stacking energy: -62.355
Base-Backbone interact. energy: -0.636
local terms energy: -146.066648
where:
bonds (distance) C4'-P energy: -37.645
bonds (distance) P-C4' energy: -46.993
flat angles C4'-P-C4' energy: -34.736
flat angles P-C4'-P energy: -27.096
tors. eta vs tors. theta energy: 0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -945.637776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.637776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.637776 (E_RNA)
where:
Base-Base interactions energy: -649.003
where: short stacking energy: -279.467
Base-Backbone interact. energy: 0.148
local terms energy: -296.782182
where:
bonds (distance) C4'-P energy: -48.190
bonds (distance) P-C4' energy: -55.982
flat angles C4'-P-C4' energy: -60.318
flat angles P-C4'-P energy: -45.968
tors. eta vs tors. theta energy: -86.324
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: 100
Temperature: 0.950000
Total energy: -943.948136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.948136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.948136 (E_RNA)
where:
Base-Base interactions energy: -658.625
where: short stacking energy: -283.576
Base-Backbone interact. energy: -1.015
local terms energy: -284.308095
where:
bonds (distance) C4'-P energy: -53.408
bonds (distance) P-C4' energy: -48.301
flat angles C4'-P-C4' energy: -62.119
flat angles P-C4'-P energy: -29.246
tors. eta vs tors. theta energy: -91.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -854.955953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.955953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.955953 (E_RNA)
where:
Base-Base interactions energy: -594.004
where: short stacking energy: -242.330
Base-Backbone interact. energy: 0.371
local terms energy: -261.323158
where:
bonds (distance) C4'-P energy: -43.302
bonds (distance) P-C4' energy: -55.523
flat angles C4'-P-C4' energy: -55.470
flat angles P-C4'-P energy: -39.416
tors. eta vs tors. theta energy: -67.612
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: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -859.419684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.419684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.419684 (E_RNA)
where:
Base-Base interactions energy: -589.337
where: short stacking energy: -236.971
Base-Backbone interact. energy: 1.307
local terms energy: -271.389779
where:
bonds (distance) C4'-P energy: -47.801
bonds (distance) P-C4' energy: -58.263
flat angles C4'-P-C4' energy: -55.570
flat angles P-C4'-P energy: -38.531
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: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -809.278733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.278733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.278733 (E_RNA)
where:
Base-Base interactions energy: -566.941
where: short stacking energy: -243.834
Base-Backbone interact. energy: -0.153
local terms energy: -242.183974
where:
bonds (distance) C4'-P energy: -49.213
bonds (distance) P-C4' energy: -40.120
flat angles C4'-P-C4' energy: -57.030
flat angles P-C4'-P energy: -28.905
tors. eta vs tors. theta energy: -66.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -759.421182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.421182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.421182 (E_RNA)
where:
Base-Base interactions energy: -515.944
where: short stacking energy: -223.215
Base-Backbone interact. energy: -1.853
local terms energy: -241.624871
where:
bonds (distance) C4'-P energy: -42.937
bonds (distance) P-C4' energy: -48.250
flat angles C4'-P-C4' energy: -55.242
flat angles P-C4'-P energy: -35.251
tors. eta vs tors. theta energy: -59.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -755.469811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.469811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.469811 (E_RNA)
where:
Base-Base interactions energy: -522.261
where: short stacking energy: -211.099
Base-Backbone interact. energy: -0.986
local terms energy: -232.223236
where:
bonds (distance) C4'-P energy: -42.476
bonds (distance) P-C4' energy: -54.592
flat angles C4'-P-C4' energy: -51.604
flat angles P-C4'-P energy: -26.598
tors. eta vs tors. theta energy: -56.955
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: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -752.802268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.802268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.802268 (E_RNA)
where:
Base-Base interactions energy: -524.222
where: short stacking energy: -219.009
Base-Backbone interact. energy: -1.111
local terms energy: -227.469193
where:
bonds (distance) C4'-P energy: -48.144
bonds (distance) P-C4' energy: -45.223
flat angles C4'-P-C4' energy: -53.965
flat angles P-C4'-P energy: -25.635
tors. eta vs tors. theta energy: -54.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -475.154450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.154450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.154450 (E_RNA)
where:
Base-Base interactions energy: -295.428
where: short stacking energy: -120.051
Base-Backbone interact. energy: 2.200
local terms energy: -181.927165
where:
bonds (distance) C4'-P energy: -47.496
bonds (distance) P-C4' energy: -46.783
flat angles C4'-P-C4' energy: -41.958
flat angles P-C4'-P energy: -23.662
tors. eta vs tors. theta energy: -22.028
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: 100
Temperature: 1.350000
Total energy: -231.853601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.853601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.853601 (E_RNA)
where:
Base-Base interactions energy: -87.646
where: short stacking energy: -77.096
Base-Backbone interact. energy: -1.084
local terms energy: -143.122975
where:
bonds (distance) C4'-P energy: -49.502
bonds (distance) P-C4' energy: -26.905
flat angles C4'-P-C4' energy: -37.985
flat angles P-C4'-P energy: -28.264
tors. eta vs tors. theta energy: -0.467
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: 6
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -956.805448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.805448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.805448 (E_RNA)
where:
Base-Base interactions energy: -657.814
where: short stacking energy: -297.234
Base-Backbone interact. energy: -0.592
local terms energy: -298.399165
where:
bonds (distance) C4'-P energy: -50.288
bonds (distance) P-C4' energy: -55.390
flat angles C4'-P-C4' energy: -58.342
flat angles P-C4'-P energy: -42.818
tors. eta vs tors. theta energy: -91.562
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: 101
Temperature: 0.950000
Total energy: -930.462034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.462034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.462034 (E_RNA)
where:
Base-Base interactions energy: -641.666
where: short stacking energy: -285.278
Base-Backbone interact. energy: -1.433
local terms energy: -287.362806
where:
bonds (distance) C4'-P energy: -47.595
bonds (distance) P-C4' energy: -47.764
flat angles C4'-P-C4' energy: -57.080
flat angles P-C4'-P energy: -46.413
tors. eta vs tors. theta energy: -88.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -833.086431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.086431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.086431 (E_RNA)
where:
Base-Base interactions energy: -576.240
where: short stacking energy: -232.493
Base-Backbone interact. energy: -0.295
local terms energy: -256.550936
where:
bonds (distance) C4'-P energy: -48.812
bonds (distance) P-C4' energy: -49.381
flat angles C4'-P-C4' energy: -62.390
flat angles P-C4'-P energy: -33.666
tors. eta vs tors. theta energy: -62.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -873.473763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.473763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.473763 (E_RNA)
where:
Base-Base interactions energy: -616.682
where: short stacking energy: -264.407
Base-Backbone interact. energy: -0.651
local terms energy: -256.139962
where:
bonds (distance) C4'-P energy: -52.842
bonds (distance) P-C4' energy: -44.285
flat angles C4'-P-C4' energy: -53.571
flat angles P-C4'-P energy: -22.022
tors. eta vs tors. theta energy: -83.420
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: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -795.954452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.954452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.954452 (E_RNA)
where:
Base-Base interactions energy: -534.204
where: short stacking energy: -219.230
Base-Backbone interact. energy: -1.165
local terms energy: -260.585627
where:
bonds (distance) C4'-P energy: -58.927
bonds (distance) P-C4' energy: -56.664
flat angles C4'-P-C4' energy: -45.758
flat angles P-C4'-P energy: -36.159
tors. eta vs tors. theta energy: -63.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -774.551448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.551448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.551448 (E_RNA)
where:
Base-Base interactions energy: -539.965
where: short stacking energy: -222.837
Base-Backbone interact. energy: -0.353
local terms energy: -234.233298
where:
bonds (distance) C4'-P energy: -50.783
bonds (distance) P-C4' energy: -40.681
flat angles C4'-P-C4' energy: -45.986
flat angles P-C4'-P energy: -37.019
tors. eta vs tors. theta energy: -59.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -757.626737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.626737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.626737 (E_RNA)
where:
Base-Base interactions energy: -531.555
where: short stacking energy: -219.181
Base-Backbone interact. energy: -0.393
local terms energy: -225.678553
where:
bonds (distance) C4'-P energy: -32.523
bonds (distance) P-C4' energy: -44.283
flat angles C4'-P-C4' energy: -51.708
flat angles P-C4'-P energy: -28.265
tors. eta vs tors. theta energy: -68.900
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: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -743.967373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.967373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.967373 (E_RNA)
where:
Base-Base interactions energy: -518.552
where: short stacking energy: -217.223
Base-Backbone interact. energy: -0.737
local terms energy: -224.678307
where:
bonds (distance) C4'-P energy: -37.825
bonds (distance) P-C4' energy: -41.948
flat angles C4'-P-C4' energy: -50.845
flat angles P-C4'-P energy: -35.776
tors. eta vs tors. theta energy: -58.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -496.065319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.065319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.065319 (E_RNA)
where:
Base-Base interactions energy: -324.917
where: short stacking energy: -151.006
Base-Backbone interact. energy: -0.463
local terms energy: -170.684875
where:
bonds (distance) C4'-P energy: -40.532
bonds (distance) P-C4' energy: -35.906
flat angles C4'-P-C4' energy: -37.083
flat angles P-C4'-P energy: -33.515
tors. eta vs tors. theta energy: -23.649
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: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -215.055230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.055230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.055230 (E_RNA)
where:
Base-Base interactions energy: -66.670
where: short stacking energy: -58.242
Base-Backbone interact. energy: 2.341
local terms energy: -150.726096
where:
bonds (distance) C4'-P energy: -49.901
bonds (distance) P-C4' energy: -48.811
flat angles C4'-P-C4' energy: -29.719
flat angles P-C4'-P energy: -21.059
tors. eta vs tors. theta energy: -1.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -958.341651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.341651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.341651 (E_RNA)
where:
Base-Base interactions energy: -639.560
where: short stacking energy: -288.535
Base-Backbone interact. energy: -0.716
local terms energy: -318.065696
where:
bonds (distance) C4'-P energy: -55.508
bonds (distance) P-C4' energy: -59.581
flat angles C4'-P-C4' energy: -63.436
flat angles P-C4'-P energy: -47.532
tors. eta vs tors. theta energy: -92.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -937.101503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.101503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.101503 (E_RNA)
where:
Base-Base interactions energy: -640.428
where: short stacking energy: -283.189
Base-Backbone interact. energy: 0.310
local terms energy: -296.983019
where:
bonds (distance) C4'-P energy: -46.764
bonds (distance) P-C4' energy: -54.086
flat angles C4'-P-C4' energy: -61.087
flat angles P-C4'-P energy: -48.983
tors. eta vs tors. theta energy: -86.062
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: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -853.345774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.345774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.345774 (E_RNA)
where:
Base-Base interactions energy: -588.676
where: short stacking energy: -254.781
Base-Backbone interact. energy: -1.162
local terms energy: -263.508444
where:
bonds (distance) C4'-P energy: -47.380
bonds (distance) P-C4' energy: -47.396
flat angles C4'-P-C4' energy: -58.591
flat angles P-C4'-P energy: -40.130
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: 4, replica: 1
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -887.163045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.163045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.163045 (E_RNA)
where:
Base-Base interactions energy: -616.126
where: short stacking energy: -268.940
Base-Backbone interact. energy: -0.048
local terms energy: -270.988861
where:
bonds (distance) C4'-P energy: -46.988
bonds (distance) P-C4' energy: -44.223
flat angles C4'-P-C4' energy: -56.351
flat angles P-C4'-P energy: -36.389
tors. eta vs tors. theta energy: -87.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -802.439008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.439008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.439008 (E_RNA)
where:
Base-Base interactions energy: -553.318
where: short stacking energy: -254.050
Base-Backbone interact. energy: -0.275
local terms energy: -248.845905
where:
bonds (distance) C4'-P energy: -49.379
bonds (distance) P-C4' energy: -45.406
flat angles C4'-P-C4' energy: -49.557
flat angles P-C4'-P energy: -40.812
tors. eta vs tors. theta energy: -63.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -779.731823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.731823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.731823 (E_RNA)
where:
Base-Base interactions energy: -523.782
where: short stacking energy: -223.265
Base-Backbone interact. energy: 1.970
local terms energy: -257.919783
where:
bonds (distance) C4'-P energy: -47.425
bonds (distance) P-C4' energy: -49.469
flat angles C4'-P-C4' energy: -61.985
flat angles P-C4'-P energy: -35.153
tors. eta vs tors. theta energy: -63.887
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: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -769.372660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.372660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.372660 (E_RNA)
where:
Base-Base interactions energy: -513.082
where: short stacking energy: -228.426
Base-Backbone interact. energy: -0.984
local terms energy: -255.306070
where:
bonds (distance) C4'-P energy: -45.130
bonds (distance) P-C4' energy: -43.234
flat angles C4'-P-C4' energy: -54.828
flat angles P-C4'-P energy: -41.724
tors. eta vs tors. theta energy: -70.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -712.798276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.798276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.798276 (E_RNA)
where:
Base-Base interactions energy: -487.671
where: short stacking energy: -207.521
Base-Backbone interact. energy: -0.931
local terms energy: -224.195624
where:
bonds (distance) C4'-P energy: -40.394
bonds (distance) P-C4' energy: -40.281
flat angles C4'-P-C4' energy: -56.756
flat angles P-C4'-P energy: -30.448
tors. eta vs tors. theta energy: -56.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -487.450530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.450530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.450530 (E_RNA)
where:
Base-Base interactions energy: -292.961
where: short stacking energy: -123.375
Base-Backbone interact. energy: -1.622
local terms energy: -192.866599
where:
bonds (distance) C4'-P energy: -44.626
bonds (distance) P-C4' energy: -52.743
flat angles C4'-P-C4' energy: -39.567
flat angles P-C4'-P energy: -26.915
tors. eta vs tors. theta energy: -29.016
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: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -218.219466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.219466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.219466 (E_RNA)
where:
Base-Base interactions energy: -70.469
where: short stacking energy: -58.582
Base-Backbone interact. energy: -1.780
local terms energy: -145.970439
where:
bonds (distance) C4'-P energy: -49.924
bonds (distance) P-C4' energy: -45.742
flat angles C4'-P-C4' energy: -39.460
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: 1.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -952.173912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.173912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.173912 (E_RNA)
where:
Base-Base interactions energy: -657.503
where: short stacking energy: -294.462
Base-Backbone interact. energy: -0.273
local terms energy: -294.398200
where:
bonds (distance) C4'-P energy: -49.958
bonds (distance) P-C4' energy: -53.166
flat angles C4'-P-C4' energy: -59.132
flat angles P-C4'-P energy: -42.776
tors. eta vs tors. theta energy: -89.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -937.470545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.470545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.470545 (E_RNA)
where:
Base-Base interactions energy: -657.791
where: short stacking energy: -294.255
Base-Backbone interact. energy: -0.817
local terms energy: -278.862212
where:
bonds (distance) C4'-P energy: -49.122
bonds (distance) P-C4' energy: -41.641
flat angles C4'-P-C4' energy: -57.506
flat angles P-C4'-P energy: -40.967
tors. eta vs tors. theta energy: -89.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -840.949303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.949303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.949303 (E_RNA)
where:
Base-Base interactions energy: -571.968
where: short stacking energy: -245.919
Base-Backbone interact. energy: -0.614
local terms energy: -268.367660
where:
bonds (distance) C4'-P energy: -47.861
bonds (distance) P-C4' energy: -57.373
flat angles C4'-P-C4' energy: -57.587
flat angles P-C4'-P energy: -35.924
tors. eta vs tors. theta energy: -69.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -888.371485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.371485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.371485 (E_RNA)
where:
Base-Base interactions energy: -613.065
where: short stacking energy: -256.976
Base-Backbone interact. energy: -1.079
local terms energy: -274.227289
where:
bonds (distance) C4'-P energy: -47.007
bonds (distance) P-C4' energy: -51.637
flat angles C4'-P-C4' energy: -51.439
flat angles P-C4'-P energy: -42.663
tors. eta vs tors. theta energy: -81.481
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: 103
Temperature: 1.100000
Total energy: -802.677793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.677793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.677793 (E_RNA)
where:
Base-Base interactions energy: -545.555
where: short stacking energy: -244.430
Base-Backbone interact. energy: 0.507
local terms energy: -257.630173
where:
bonds (distance) C4'-P energy: -45.896
bonds (distance) P-C4' energy: -38.073
flat angles C4'-P-C4' energy: -58.839
flat angles P-C4'-P energy: -44.661
tors. eta vs tors. theta energy: -70.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -803.216815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.216815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.216815 (E_RNA)
where:
Base-Base interactions energy: -547.018
where: short stacking energy: -233.359
Base-Backbone interact. energy: -0.237
local terms energy: -255.961643
where:
bonds (distance) C4'-P energy: -43.332
bonds (distance) P-C4' energy: -44.103
flat angles C4'-P-C4' energy: -61.556
flat angles P-C4'-P energy: -43.913
tors. eta vs tors. theta energy: -63.058
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: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -760.741921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.741921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.741921 (E_RNA)
where:
Base-Base interactions energy: -527.933
where: short stacking energy: -213.646
Base-Backbone interact. energy: -0.858
local terms energy: -231.950504
where:
bonds (distance) C4'-P energy: -46.039
bonds (distance) P-C4' energy: -50.372
flat angles C4'-P-C4' energy: -45.570
flat angles P-C4'-P energy: -25.318
tors. eta vs tors. theta energy: -64.651
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: 103
Temperature: 1.250000
Total energy: -671.557534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.557534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.557534 (E_RNA)
where:
Base-Base interactions energy: -459.786
where: short stacking energy: -173.359
Base-Backbone interact. energy: -1.447
local terms energy: -210.325341
where:
bonds (distance) C4'-P energy: -34.994
bonds (distance) P-C4' energy: -44.741
flat angles C4'-P-C4' energy: -50.329
flat angles P-C4'-P energy: -33.892
tors. eta vs tors. theta energy: -46.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -530.109068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.109068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.109068 (E_RNA)
where:
Base-Base interactions energy: -312.090
where: short stacking energy: -146.584
Base-Backbone interact. energy: -0.539
local terms energy: -217.480127
where:
bonds (distance) C4'-P energy: -47.314
bonds (distance) P-C4' energy: -45.411
flat angles C4'-P-C4' energy: -55.983
flat angles P-C4'-P energy: -29.365
tors. eta vs tors. theta energy: -39.407
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: 103
Temperature: 1.350000
Total energy: -235.162442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.162442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.162442 (E_RNA)
where:
Base-Base interactions energy: -106.416
where: short stacking energy: -66.946
Base-Backbone interact. energy: 0.980
local terms energy: -129.727247
where:
bonds (distance) C4'-P energy: -29.636
bonds (distance) P-C4' energy: -54.664
flat angles C4'-P-C4' energy: -25.862
flat angles P-C4'-P energy: -27.377
tors. eta vs tors. theta energy: 7.812
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: 1, replica: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -962.315224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.315224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.315224 (E_RNA)
where:
Base-Base interactions energy: -670.306
where: short stacking energy: -281.178
Base-Backbone interact. energy: -2.411
local terms energy: -289.598645
where:
bonds (distance) C4'-P energy: -53.791
bonds (distance) P-C4' energy: -51.655
flat angles C4'-P-C4' energy: -60.592
flat angles P-C4'-P energy: -42.294
tors. eta vs tors. theta energy: -81.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -922.934533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.934533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.934533 (E_RNA)
where:
Base-Base interactions energy: -636.581
where: short stacking energy: -279.545
Base-Backbone interact. energy: -0.764
local terms energy: -285.589041
where:
bonds (distance) C4'-P energy: -52.696
bonds (distance) P-C4' energy: -52.100
flat angles C4'-P-C4' energy: -58.045
flat angles P-C4'-P energy: -34.915
tors. eta vs tors. theta energy: -87.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -922.074445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.074445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.074445 (E_RNA)
where:
Base-Base interactions energy: -624.417
where: short stacking energy: -265.461
Base-Backbone interact. energy: -2.214
local terms energy: -295.443654
where:
bonds (distance) C4'-P energy: -52.632
bonds (distance) P-C4' energy: -52.437
flat angles C4'-P-C4' energy: -59.068
flat angles P-C4'-P energy: -46.068
tors. eta vs tors. theta energy: -85.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -851.231219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.231219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.231219 (E_RNA)
where:
Base-Base interactions energy: -589.906
where: short stacking energy: -256.172
Base-Backbone interact. energy: -0.288
local terms energy: -261.037999
where:
bonds (distance) C4'-P energy: -47.274
bonds (distance) P-C4' energy: -50.939
flat angles C4'-P-C4' energy: -55.710
flat angles P-C4'-P energy: -35.671
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: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -808.332946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.332946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.332946 (E_RNA)
where:
Base-Base interactions energy: -539.124
where: short stacking energy: -239.076
Base-Backbone interact. energy: -0.047
local terms energy: -269.162378
where:
bonds (distance) C4'-P energy: -51.793
bonds (distance) P-C4' energy: -45.334
flat angles C4'-P-C4' energy: -54.802
flat angles P-C4'-P energy: -46.802
tors. eta vs tors. theta energy: -70.432
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: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -779.454634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.454634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.454634 (E_RNA)
where:
Base-Base interactions energy: -524.169
where: short stacking energy: -218.288
Base-Backbone interact. energy: -1.453
local terms energy: -253.833118
where:
bonds (distance) C4'-P energy: -50.650
bonds (distance) P-C4' energy: -47.307
flat angles C4'-P-C4' energy: -53.574
flat angles P-C4'-P energy: -36.673
tors. eta vs tors. theta energy: -65.630
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: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -776.305710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.305710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.305710 (E_RNA)
where:
Base-Base interactions energy: -554.596
where: short stacking energy: -223.027
Base-Backbone interact. energy: 2.536
local terms energy: -224.245645
where:
bonds (distance) C4'-P energy: -45.030
bonds (distance) P-C4' energy: -45.193
flat angles C4'-P-C4' energy: -46.973
flat angles P-C4'-P energy: -32.458
tors. eta vs tors. theta energy: -54.591
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: 104
Temperature: 1.250000
Total energy: -683.031276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.031276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.031276 (E_RNA)
where:
Base-Base interactions energy: -463.938
where: short stacking energy: -183.705
Base-Backbone interact. energy: -0.929
local terms energy: -218.164437
where:
bonds (distance) C4'-P energy: -32.408
bonds (distance) P-C4' energy: -44.343
flat angles C4'-P-C4' energy: -55.634
flat angles P-C4'-P energy: -37.524
tors. eta vs tors. theta energy: -48.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -512.652240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.652240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.652240 (E_RNA)
where:
Base-Base interactions energy: -307.413
where: short stacking energy: -143.592
Base-Backbone interact. energy: 1.007
local terms energy: -206.246073
where:
bonds (distance) C4'-P energy: -37.719
bonds (distance) P-C4' energy: -52.649
flat angles C4'-P-C4' energy: -53.020
flat angles P-C4'-P energy: -30.030
tors. eta vs tors. theta energy: -32.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -234.883525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.883525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.883525 (E_RNA)
where:
Base-Base interactions energy: -80.095
where: short stacking energy: -72.201
Base-Backbone interact. energy: 1.982
local terms energy: -156.770437
where:
bonds (distance) C4'-P energy: -44.796
bonds (distance) P-C4' energy: -45.981
flat angles C4'-P-C4' energy: -38.823
flat angles P-C4'-P energy: -32.016
tors. eta vs tors. theta energy: 4.846
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: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -967.726532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.726532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.726532 (E_RNA)
where:
Base-Base interactions energy: -663.324
where: short stacking energy: -298.230
Base-Backbone interact. energy: -1.624
local terms energy: -302.778318
where:
bonds (distance) C4'-P energy: -53.474
bonds (distance) P-C4' energy: -51.163
flat angles C4'-P-C4' energy: -61.533
flat angles P-C4'-P energy: -44.994
tors. eta vs tors. theta energy: -91.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -930.751018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.751018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.751018 (E_RNA)
where:
Base-Base interactions energy: -642.718
where: short stacking energy: -285.185
Base-Backbone interact. energy: -0.643
local terms energy: -287.389531
where:
bonds (distance) C4'-P energy: -48.342
bonds (distance) P-C4' energy: -50.481
flat angles C4'-P-C4' energy: -61.964
flat angles P-C4'-P energy: -41.078
tors. eta vs tors. theta energy: -85.525
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: 3, replica: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -890.581595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.581595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.581595 (E_RNA)
where:
Base-Base interactions energy: -604.259
where: short stacking energy: -258.121
Base-Backbone interact. energy: -0.503
local terms energy: -285.818995
where:
bonds (distance) C4'-P energy: -47.483
bonds (distance) P-C4' energy: -59.675
flat angles C4'-P-C4' energy: -58.406
flat angles P-C4'-P energy: -41.760
tors. eta vs tors. theta energy: -78.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -856.650216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.650216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.650216 (E_RNA)
where:
Base-Base interactions energy: -582.928
where: short stacking energy: -253.757
Base-Backbone interact. energy: -0.106
local terms energy: -273.615889
where:
bonds (distance) C4'-P energy: -48.005
bonds (distance) P-C4' energy: -57.186
flat angles C4'-P-C4' energy: -55.660
flat angles P-C4'-P energy: -34.687
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: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -818.925419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.925419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.925419 (E_RNA)
where:
Base-Base interactions energy: -568.878
where: short stacking energy: -241.341
Base-Backbone interact. energy: -1.233
local terms energy: -248.814716
where:
bonds (distance) C4'-P energy: -41.246
bonds (distance) P-C4' energy: -50.458
flat angles C4'-P-C4' energy: -53.777
flat angles P-C4'-P energy: -33.081
tors. eta vs tors. theta energy: -70.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -792.355326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.355326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.355326 (E_RNA)
where:
Base-Base interactions energy: -543.124
where: short stacking energy: -239.578
Base-Backbone interact. energy: -0.247
local terms energy: -248.984738
where:
bonds (distance) C4'-P energy: -47.376
bonds (distance) P-C4' energy: -41.088
flat angles C4'-P-C4' energy: -57.577
flat angles P-C4'-P energy: -38.822
tors. eta vs tors. theta energy: -64.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -740.526040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.526040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.526040 (E_RNA)
where:
Base-Base interactions energy: -517.006
where: short stacking energy: -203.343
Base-Backbone interact. energy: 0.870
local terms energy: -224.389385
where:
bonds (distance) C4'-P energy: -50.650
bonds (distance) P-C4' energy: -37.135
flat angles C4'-P-C4' energy: -49.054
flat angles P-C4'-P energy: -35.394
tors. eta vs tors. theta energy: -52.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -689.366331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.366331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.366331 (E_RNA)
where:
Base-Base interactions energy: -476.483
where: short stacking energy: -208.100
Base-Backbone interact. energy: 2.252
local terms energy: -215.136135
where:
bonds (distance) C4'-P energy: -33.159
bonds (distance) P-C4' energy: -42.354
flat angles C4'-P-C4' energy: -53.215
flat angles P-C4'-P energy: -32.644
tors. eta vs tors. theta energy: -53.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -473.608975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.608975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.608975 (E_RNA)
where:
Base-Base interactions energy: -294.140
where: short stacking energy: -130.907
Base-Backbone interact. energy: -1.325
local terms energy: -178.144052
where:
bonds (distance) C4'-P energy: -51.972
bonds (distance) P-C4' energy: -45.908
flat angles C4'-P-C4' energy: -38.778
flat angles P-C4'-P energy: -19.354
tors. eta vs tors. theta energy: -22.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -241.479826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.479826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.479826 (E_RNA)
where:
Base-Base interactions energy: -90.435
where: short stacking energy: -63.097
Base-Backbone interact. energy: -2.083
local terms energy: -148.961402
where:
bonds (distance) C4'-P energy: -50.750
bonds (distance) P-C4' energy: -35.846
flat angles C4'-P-C4' energy: -39.539
flat angles P-C4'-P energy: -23.369
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: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -957.359716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.359716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.359716 (E_RNA)
where:
Base-Base interactions energy: -658.525
where: short stacking energy: -297.712
Base-Backbone interact. energy: -2.496
local terms energy: -296.338881
where:
bonds (distance) C4'-P energy: -49.753
bonds (distance) P-C4' energy: -56.587
flat angles C4'-P-C4' energy: -63.298
flat angles P-C4'-P energy: -39.015
tors. eta vs tors. theta energy: -87.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -933.716459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.716459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.716459 (E_RNA)
where:
Base-Base interactions energy: -652.909
where: short stacking energy: -285.566
Base-Backbone interact. energy: -1.077
local terms energy: -279.729908
where:
bonds (distance) C4'-P energy: -45.019
bonds (distance) P-C4' energy: -54.568
flat angles C4'-P-C4' energy: -55.426
flat angles P-C4'-P energy: -37.515
tors. eta vs tors. theta energy: -87.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -883.928483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.928483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.928483 (E_RNA)
where:
Base-Base interactions energy: -621.838
where: short stacking energy: -248.197
Base-Backbone interact. energy: 0.947
local terms energy: -263.038254
where:
bonds (distance) C4'-P energy: -54.983
bonds (distance) P-C4' energy: -49.727
flat angles C4'-P-C4' energy: -52.478
flat angles P-C4'-P energy: -38.188
tors. eta vs tors. theta energy: -67.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -847.516024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.516024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.516024 (E_RNA)
where:
Base-Base interactions energy: -582.307
where: short stacking energy: -265.409
Base-Backbone interact. energy: -0.447
local terms energy: -264.762254
where:
bonds (distance) C4'-P energy: -42.552
bonds (distance) P-C4' energy: -52.961
flat angles C4'-P-C4' energy: -56.969
flat angles P-C4'-P energy: -41.930
tors. eta vs tors. theta energy: -70.349
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: 106
Temperature: 1.100000
Total energy: -815.463596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.463596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.463596 (E_RNA)
where:
Base-Base interactions energy: -560.557
where: short stacking energy: -245.683
Base-Backbone interact. energy: -0.755
local terms energy: -254.151165
where:
bonds (distance) C4'-P energy: -47.618
bonds (distance) P-C4' energy: -44.585
flat angles C4'-P-C4' energy: -50.396
flat angles P-C4'-P energy: -40.824
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: 6, replica: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -780.400822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.400822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.400822 (E_RNA)
where:
Base-Base interactions energy: -548.325
where: short stacking energy: -232.586
Base-Backbone interact. energy: 0.491
local terms energy: -232.567185
where:
bonds (distance) C4'-P energy: -31.074
bonds (distance) P-C4' energy: -48.701
flat angles C4'-P-C4' energy: -49.740
flat angles P-C4'-P energy: -32.432
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: 7, replica: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -725.688664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.688664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.688664 (E_RNA)
where:
Base-Base interactions energy: -500.414
where: short stacking energy: -203.311
Base-Backbone interact. energy: -0.520
local terms energy: -224.753994
where:
bonds (distance) C4'-P energy: -32.481
bonds (distance) P-C4' energy: -53.515
flat angles C4'-P-C4' energy: -54.335
flat angles P-C4'-P energy: -36.425
tors. eta vs tors. theta energy: -47.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -649.356222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.356222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.356222 (E_RNA)
where:
Base-Base interactions energy: -432.594
where: short stacking energy: -178.578
Base-Backbone interact. energy: -0.235
local terms energy: -216.526752
where:
bonds (distance) C4'-P energy: -45.602
bonds (distance) P-C4' energy: -52.605
flat angles C4'-P-C4' energy: -39.901
flat angles P-C4'-P energy: -28.392
tors. eta vs tors. theta energy: -50.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -475.012458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.012458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.012458 (E_RNA)
where:
Base-Base interactions energy: -281.026
where: short stacking energy: -141.781
Base-Backbone interact. energy: -1.593
local terms energy: -192.393013
where:
bonds (distance) C4'-P energy: -33.455
bonds (distance) P-C4' energy: -48.933
flat angles C4'-P-C4' energy: -44.722
flat angles P-C4'-P energy: -37.973
tors. eta vs tors. theta energy: -27.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -232.058569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.058569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.058569 (E_RNA)
where:
Base-Base interactions energy: -87.677
where: short stacking energy: -75.486
Base-Backbone interact. energy: 1.775
local terms energy: -146.156605
where:
bonds (distance) C4'-P energy: -46.635
bonds (distance) P-C4' energy: -37.695
flat angles C4'-P-C4' energy: -31.233
flat angles P-C4'-P energy: -22.740
tors. eta vs tors. theta energy: -7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -942.319103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.319103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.319103 (E_RNA)
where:
Base-Base interactions energy: -641.199
where: short stacking energy: -287.090
Base-Backbone interact. energy: -1.255
local terms energy: -299.865662
where:
bonds (distance) C4'-P energy: -53.194
bonds (distance) P-C4' energy: -53.759
flat angles C4'-P-C4' energy: -62.508
flat angles P-C4'-P energy: -42.550
tors. eta vs tors. theta energy: -87.855
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: 6
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -943.683886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.683886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.683886 (E_RNA)
where:
Base-Base interactions energy: -653.860
where: short stacking energy: -279.593
Base-Backbone interact. energy: -1.477
local terms energy: -288.346764
where:
bonds (distance) C4'-P energy: -54.608
bonds (distance) P-C4' energy: -56.544
flat angles C4'-P-C4' energy: -58.827
flat angles P-C4'-P energy: -40.603
tors. eta vs tors. theta energy: -77.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -890.891140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.891140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.891140 (E_RNA)
where:
Base-Base interactions energy: -624.011
where: short stacking energy: -267.899
Base-Backbone interact. energy: -1.913
local terms energy: -264.966803
where:
bonds (distance) C4'-P energy: -34.343
bonds (distance) P-C4' energy: -56.400
flat angles C4'-P-C4' energy: -61.268
flat angles P-C4'-P energy: -34.835
tors. eta vs tors. theta energy: -78.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -854.081105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.081105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.081105 (E_RNA)
where:
Base-Base interactions energy: -585.383
where: short stacking energy: -275.995
Base-Backbone interact. energy: -0.449
local terms energy: -268.248755
where:
bonds (distance) C4'-P energy: -46.397
bonds (distance) P-C4' energy: -47.126
flat angles C4'-P-C4' energy: -56.058
flat angles P-C4'-P energy: -36.455
tors. eta vs tors. theta energy: -82.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -817.658391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.658391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.658391 (E_RNA)
where:
Base-Base interactions energy: -564.646
where: short stacking energy: -245.636
Base-Backbone interact. energy: -0.357
local terms energy: -252.655289
where:
bonds (distance) C4'-P energy: -43.249
bonds (distance) P-C4' energy: -53.296
flat angles C4'-P-C4' energy: -56.638
flat angles P-C4'-P energy: -30.543
tors. eta vs tors. theta energy: -68.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -773.131973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.131973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.131973 (E_RNA)
where:
Base-Base interactions energy: -537.115
where: short stacking energy: -230.493
Base-Backbone interact. energy: -0.785
local terms energy: -235.231975
where:
bonds (distance) C4'-P energy: -39.099
bonds (distance) P-C4' energy: -44.848
flat angles C4'-P-C4' energy: -55.889
flat angles P-C4'-P energy: -34.275
tors. eta vs tors. theta energy: -61.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -721.112842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.112842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.112842 (E_RNA)
where:
Base-Base interactions energy: -489.428
where: short stacking energy: -212.483
Base-Backbone interact. energy: -0.295
local terms energy: -231.390047
where:
bonds (distance) C4'-P energy: -52.234
bonds (distance) P-C4' energy: -38.412
flat angles C4'-P-C4' energy: -45.277
flat angles P-C4'-P energy: -35.169
tors. eta vs tors. theta energy: -60.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -692.329198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.329198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.329198 (E_RNA)
where:
Base-Base interactions energy: -476.214
where: short stacking energy: -196.000
Base-Backbone interact. energy: 0.934
local terms energy: -217.049869
where:
bonds (distance) C4'-P energy: -37.159
bonds (distance) P-C4' energy: -49.146
flat angles C4'-P-C4' energy: -49.415
flat angles P-C4'-P energy: -33.433
tors. eta vs tors. theta energy: -47.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -455.534230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.534230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.534230 (E_RNA)
where:
Base-Base interactions energy: -268.430
where: short stacking energy: -117.952
Base-Backbone interact. energy: -2.608
local terms energy: -184.496446
where:
bonds (distance) C4'-P energy: -49.483
bonds (distance) P-C4' energy: -43.273
flat angles C4'-P-C4' energy: -42.508
flat angles P-C4'-P energy: -29.228
tors. eta vs tors. theta energy: -20.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -225.658757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.658757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.658757 (E_RNA)
where:
Base-Base interactions energy: -84.546
where: short stacking energy: -75.566
Base-Backbone interact. energy: -1.337
local terms energy: -139.776031
where:
bonds (distance) C4'-P energy: -37.227
bonds (distance) P-C4' energy: -44.704
flat angles C4'-P-C4' energy: -39.702
flat angles P-C4'-P energy: -23.995
tors. eta vs tors. theta energy: 5.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -958.026131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.026131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.026131 (E_RNA)
where:
Base-Base interactions energy: -668.184
where: short stacking energy: -295.357
Base-Backbone interact. energy: -0.842
local terms energy: -289.000104
where:
bonds (distance) C4'-P energy: -47.642
bonds (distance) P-C4' energy: -53.690
flat angles C4'-P-C4' energy: -56.608
flat angles P-C4'-P energy: -45.508
tors. eta vs tors. theta energy: -85.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -956.233753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.233753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.233753 (E_RNA)
where:
Base-Base interactions energy: -666.296
where: short stacking energy: -295.175
Base-Backbone interact. energy: -0.013
local terms energy: -289.925122
where:
bonds (distance) C4'-P energy: -49.241
bonds (distance) P-C4' energy: -48.744
flat angles C4'-P-C4' energy: -64.084
flat angles P-C4'-P energy: -40.289
tors. eta vs tors. theta energy: -87.567
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: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -892.245893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.245893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.245893 (E_RNA)
where:
Base-Base interactions energy: -614.790
where: short stacking energy: -254.515
Base-Backbone interact. energy: -0.723
local terms energy: -276.732286
where:
bonds (distance) C4'-P energy: -47.208
bonds (distance) P-C4' energy: -48.999
flat angles C4'-P-C4' energy: -60.588
flat angles P-C4'-P energy: -43.846
tors. eta vs tors. theta energy: -76.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -836.430532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.430532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.430532 (E_RNA)
where:
Base-Base interactions energy: -573.474
where: short stacking energy: -255.769
Base-Backbone interact. energy: -0.535
local terms energy: -262.421114
where:
bonds (distance) C4'-P energy: -51.909
bonds (distance) P-C4' energy: -50.701
flat angles C4'-P-C4' energy: -48.340
flat angles P-C4'-P energy: -39.384
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: 5, replica: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -798.369621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.369621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.369621 (E_RNA)
where:
Base-Base interactions energy: -536.862
where: short stacking energy: -227.567
Base-Backbone interact. energy: 0.351
local terms energy: -261.858080
where:
bonds (distance) C4'-P energy: -45.799
bonds (distance) P-C4' energy: -49.355
flat angles C4'-P-C4' energy: -58.304
flat angles P-C4'-P energy: -39.386
tors. eta vs tors. theta energy: -69.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -793.073718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.073718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.073718 (E_RNA)
where:
Base-Base interactions energy: -531.951
where: short stacking energy: -236.169
Base-Backbone interact. energy: -0.204
local terms energy: -260.918081
where:
bonds (distance) C4'-P energy: -44.454
bonds (distance) P-C4' energy: -46.724
flat angles C4'-P-C4' energy: -53.292
flat angles P-C4'-P energy: -42.294
tors. eta vs tors. theta energy: -74.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -733.142172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.142172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.142172 (E_RNA)
where:
Base-Base interactions energy: -495.071
where: short stacking energy: -207.464
Base-Backbone interact. energy: 0.920
local terms energy: -238.990789
where:
bonds (distance) C4'-P energy: -44.498
bonds (distance) P-C4' energy: -51.504
flat angles C4'-P-C4' energy: -58.366
flat angles P-C4'-P energy: -29.561
tors. eta vs tors. theta energy: -55.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -689.752221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.752221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.752221 (E_RNA)
where:
Base-Base interactions energy: -487.657
where: short stacking energy: -200.995
Base-Backbone interact. energy: -1.081
local terms energy: -201.014098
where:
bonds (distance) C4'-P energy: -47.110
bonds (distance) P-C4' energy: -31.250
flat angles C4'-P-C4' energy: -49.357
flat angles P-C4'-P energy: -23.886
tors. eta vs tors. theta energy: -49.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -393.540842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.540842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.540842 (E_RNA)
where:
Base-Base interactions energy: -223.575
where: short stacking energy: -109.245
Base-Backbone interact. energy: -1.428
local terms energy: -168.537159
where:
bonds (distance) C4'-P energy: -33.298
bonds (distance) P-C4' energy: -41.757
flat angles C4'-P-C4' energy: -42.338
flat angles P-C4'-P energy: -33.499
tors. eta vs tors. theta energy: -17.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -228.858854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.858854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.858854 (E_RNA)
where:
Base-Base interactions energy: -88.080
where: short stacking energy: -75.988
Base-Backbone interact. energy: 2.901
local terms energy: -143.680603
where:
bonds (distance) C4'-P energy: -36.700
bonds (distance) P-C4' energy: -48.054
flat angles C4'-P-C4' energy: -48.300
flat angles P-C4'-P energy: -20.621
tors. eta vs tors. theta energy: 9.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -966.120920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.120920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.120920 (E_RNA)
where:
Base-Base interactions energy: -671.302
where: short stacking energy: -298.020
Base-Backbone interact. energy: -0.739
local terms energy: -294.079552
where:
bonds (distance) C4'-P energy: -51.957
bonds (distance) P-C4' energy: -52.879
flat angles C4'-P-C4' energy: -58.720
flat angles P-C4'-P energy: -41.558
tors. eta vs tors. theta energy: -88.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -956.171212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.171212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.171212 (E_RNA)
where:
Base-Base interactions energy: -656.928
where: short stacking energy: -292.935
Base-Backbone interact. energy: -1.152
local terms energy: -298.091258
where:
bonds (distance) C4'-P energy: -55.337
bonds (distance) P-C4' energy: -57.496
flat angles C4'-P-C4' energy: -67.303
flat angles P-C4'-P energy: -31.133
tors. eta vs tors. theta energy: -86.822
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: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -900.702701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.702701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.702701 (E_RNA)
where:
Base-Base interactions energy: -615.193
where: short stacking energy: -263.109
Base-Backbone interact. energy: -1.182
local terms energy: -284.327236
where:
bonds (distance) C4'-P energy: -50.916
bonds (distance) P-C4' energy: -56.151
flat angles C4'-P-C4' energy: -61.468
flat angles P-C4'-P energy: -32.819
tors. eta vs tors. theta energy: -82.973
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: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -838.633628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.633628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.633628 (E_RNA)
where:
Base-Base interactions energy: -575.629
where: short stacking energy: -250.051
Base-Backbone interact. energy: -1.049
local terms energy: -261.956174
where:
bonds (distance) C4'-P energy: -43.635
bonds (distance) P-C4' energy: -54.958
flat angles C4'-P-C4' energy: -51.546
flat angles P-C4'-P energy: -35.919
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: 5, replica: 4
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -807.612179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.612179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.612179 (E_RNA)
where:
Base-Base interactions energy: -544.484
where: short stacking energy: -237.128
Base-Backbone interact. energy: -0.018
local terms energy: -263.110902
where:
bonds (distance) C4'-P energy: -48.991
bonds (distance) P-C4' energy: -51.414
flat angles C4'-P-C4' energy: -53.675
flat angles P-C4'-P energy: -40.375
tors. eta vs tors. theta energy: -68.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -807.683964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.683964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.683964 (E_RNA)
where:
Base-Base interactions energy: -561.478
where: short stacking energy: -243.943
Base-Backbone interact. energy: 1.825
local terms energy: -248.031886
where:
bonds (distance) C4'-P energy: -47.235
bonds (distance) P-C4' energy: -49.042
flat angles C4'-P-C4' energy: -51.287
flat angles P-C4'-P energy: -31.896
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: 7, replica: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -740.859867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.859867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.859867 (E_RNA)
where:
Base-Base interactions energy: -491.704
where: short stacking energy: -209.046
Base-Backbone interact. energy: -1.561
local terms energy: -247.594211
where:
bonds (distance) C4'-P energy: -42.408
bonds (distance) P-C4' energy: -54.019
flat angles C4'-P-C4' energy: -54.881
flat angles P-C4'-P energy: -38.538
tors. eta vs tors. theta energy: -57.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -754.672194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.672194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.672194 (E_RNA)
where:
Base-Base interactions energy: -509.235
where: short stacking energy: -209.817
Base-Backbone interact. energy: -2.037
local terms energy: -243.400029
where:
bonds (distance) C4'-P energy: -36.567
bonds (distance) P-C4' energy: -57.026
flat angles C4'-P-C4' energy: -54.769
flat angles P-C4'-P energy: -32.427
tors. eta vs tors. theta energy: -62.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -377.014116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.014116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.014116 (E_RNA)
where:
Base-Base interactions energy: -195.722
where: short stacking energy: -104.578
Base-Backbone interact. energy: -1.333
local terms energy: -179.959580
where:
bonds (distance) C4'-P energy: -40.901
bonds (distance) P-C4' energy: -50.730
flat angles C4'-P-C4' energy: -52.458
flat angles P-C4'-P energy: -26.612
tors. eta vs tors. theta energy: -9.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -218.446019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.446019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.446019 (E_RNA)
where:
Base-Base interactions energy: -78.142
where: short stacking energy: -63.030
Base-Backbone interact. energy: 0.856
local terms energy: -141.160168
where:
bonds (distance) C4'-P energy: -48.115
bonds (distance) P-C4' energy: -47.407
flat angles C4'-P-C4' energy: -38.350
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: 8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -971.689536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.689536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.689536 (E_RNA)
where:
Base-Base interactions energy: -660.809
where: short stacking energy: -288.789
Base-Backbone interact. energy: -1.157
local terms energy: -309.723452
where:
bonds (distance) C4'-P energy: -50.980
bonds (distance) P-C4' energy: -54.588
flat angles C4'-P-C4' energy: -68.296
flat angles P-C4'-P energy: -43.357
tors. eta vs tors. theta energy: -92.502
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: 2, replica: 6
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -945.248998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.248998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.248998 (E_RNA)
where:
Base-Base interactions energy: -655.290
where: short stacking energy: -291.491
Base-Backbone interact. energy: -0.555
local terms energy: -289.404079
where:
bonds (distance) C4'-P energy: -52.219
bonds (distance) P-C4' energy: -53.397
flat angles C4'-P-C4' energy: -59.035
flat angles P-C4'-P energy: -43.111
tors. eta vs tors. theta energy: -81.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -901.683556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.683556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.683556 (E_RNA)
where:
Base-Base interactions energy: -625.448
where: short stacking energy: -262.997
Base-Backbone interact. energy: -0.681
local terms energy: -275.555070
where:
bonds (distance) C4'-P energy: -41.046
bonds (distance) P-C4' energy: -55.443
flat angles C4'-P-C4' energy: -56.305
flat angles P-C4'-P energy: -40.216
tors. eta vs tors. theta energy: -82.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -820.547178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.547178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.547178 (E_RNA)
where:
Base-Base interactions energy: -557.915
where: short stacking energy: -248.099
Base-Backbone interact. energy: -0.523
local terms energy: -262.108911
where:
bonds (distance) C4'-P energy: -42.955
bonds (distance) P-C4' energy: -46.481
flat angles C4'-P-C4' energy: -58.085
flat angles P-C4'-P energy: -37.862
tors. eta vs tors. theta energy: -76.726
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: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -834.749029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.749029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.749029 (E_RNA)
where:
Base-Base interactions energy: -574.362
where: short stacking energy: -249.045
Base-Backbone interact. energy: -1.030
local terms energy: -259.357127
where:
bonds (distance) C4'-P energy: -37.715
bonds (distance) P-C4' energy: -50.601
flat angles C4'-P-C4' energy: -53.565
flat angles P-C4'-P energy: -40.964
tors. eta vs tors. theta energy: -76.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -776.209074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.209074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.209074 (E_RNA)
where:
Base-Base interactions energy: -529.534
where: short stacking energy: -232.863
Base-Backbone interact. energy: -2.288
local terms energy: -244.387117
where:
bonds (distance) C4'-P energy: -50.215
bonds (distance) P-C4' energy: -47.974
flat angles C4'-P-C4' energy: -50.496
flat angles P-C4'-P energy: -30.166
tors. eta vs tors. theta energy: -65.536
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: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -735.953379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.953379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.953379 (E_RNA)
where:
Base-Base interactions energy: -507.378
where: short stacking energy: -189.376
Base-Backbone interact. energy: -2.026
local terms energy: -226.549265
where:
bonds (distance) C4'-P energy: -46.691
bonds (distance) P-C4' energy: -47.541
flat angles C4'-P-C4' energy: -46.453
flat angles P-C4'-P energy: -33.547
tors. eta vs tors. theta energy: -52.316
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: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -670.838778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.838778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.838778 (E_RNA)
where:
Base-Base interactions energy: -466.029
where: short stacking energy: -190.264
Base-Backbone interact. energy: -1.750
local terms energy: -203.059408
where:
bonds (distance) C4'-P energy: -38.218
bonds (distance) P-C4' energy: -46.678
flat angles C4'-P-C4' energy: -49.357
flat angles P-C4'-P energy: -22.858
tors. eta vs tors. theta energy: -45.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -374.874137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.874137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.874137 (E_RNA)
where:
Base-Base interactions energy: -203.868
where: short stacking energy: -106.637
Base-Backbone interact. energy: 1.253
local terms energy: -172.259318
where:
bonds (distance) C4'-P energy: -39.874
bonds (distance) P-C4' energy: -43.794
flat angles C4'-P-C4' energy: -49.495
flat angles P-C4'-P energy: -28.697
tors. eta vs tors. theta energy: -10.399
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: 10, replica: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -221.949065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.949065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.949065 (E_RNA)
where:
Base-Base interactions energy: -69.951
where: short stacking energy: -51.244
Base-Backbone interact. energy: -0.766
local terms energy: -151.231345
where:
bonds (distance) C4'-P energy: -52.770
bonds (distance) P-C4' energy: -44.067
flat angles C4'-P-C4' energy: -39.884
flat angles P-C4'-P energy: -18.748
tors. eta vs tors. theta energy: 4.238
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: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -962.177187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.177187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.177187 (E_RNA)
where:
Base-Base interactions energy: -665.200
where: short stacking energy: -285.549
Base-Backbone interact. energy: -0.600
local terms energy: -296.377366
where:
bonds (distance) C4'-P energy: -50.224
bonds (distance) P-C4' energy: -56.240
flat angles C4'-P-C4' energy: -61.573
flat angles P-C4'-P energy: -44.868
tors. eta vs tors. theta energy: -83.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -928.681433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.681433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.681433 (E_RNA)
where:
Base-Base interactions energy: -635.620
where: short stacking energy: -271.599
Base-Backbone interact. energy: -0.832
local terms energy: -292.228676
where:
bonds (distance) C4'-P energy: -56.470
bonds (distance) P-C4' energy: -49.495
flat angles C4'-P-C4' energy: -60.977
flat angles P-C4'-P energy: -41.272
tors. eta vs tors. theta energy: -84.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -892.392888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.392888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.392888 (E_RNA)
where:
Base-Base interactions energy: -630.752
where: short stacking energy: -259.995
Base-Backbone interact. energy: -0.845
local terms energy: -260.795075
where:
bonds (distance) C4'-P energy: -41.291
bonds (distance) P-C4' energy: -54.269
flat angles C4'-P-C4' energy: -56.432
flat angles P-C4'-P energy: -38.545
tors. eta vs tors. theta energy: -70.258
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: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -860.655403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.655403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.655403 (E_RNA)
where:
Base-Base interactions energy: -585.668
where: short stacking energy: -254.804
Base-Backbone interact. energy: -0.385
local terms energy: -274.602031
where:
bonds (distance) C4'-P energy: -54.687
bonds (distance) P-C4' energy: -45.012
flat angles C4'-P-C4' energy: -64.286
flat angles P-C4'-P energy: -39.969
tors. eta vs tors. theta energy: -70.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -815.316109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.316109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.316109 (E_RNA)
where:
Base-Base interactions energy: -564.490
where: short stacking energy: -251.724
Base-Backbone interact. energy: -0.257
local terms energy: -250.568701
where:
bonds (distance) C4'-P energy: -46.266
bonds (distance) P-C4' energy: -52.061
flat angles C4'-P-C4' energy: -54.264
flat angles P-C4'-P energy: -26.772
tors. eta vs tors. theta energy: -71.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -751.603452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.603452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.603452 (E_RNA)
where:
Base-Base interactions energy: -515.063
where: short stacking energy: -210.438
Base-Backbone interact. energy: 2.263
local terms energy: -238.804076
where:
bonds (distance) C4'-P energy: -49.087
bonds (distance) P-C4' energy: -49.063
flat angles C4'-P-C4' energy: -54.674
flat angles P-C4'-P energy: -30.245
tors. eta vs tors. theta energy: -55.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -773.375195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.375195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.375195 (E_RNA)
where:
Base-Base interactions energy: -527.168
where: short stacking energy: -224.544
Base-Backbone interact. energy: -1.769
local terms energy: -244.437781
where:
bonds (distance) C4'-P energy: -55.488
bonds (distance) P-C4' energy: -40.713
flat angles C4'-P-C4' energy: -52.125
flat angles P-C4'-P energy: -31.483
tors. eta vs tors. theta energy: -64.629
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: 111
Temperature: 1.250000
Total energy: -638.145328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.145328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.145328 (E_RNA)
where:
Base-Base interactions energy: -434.805
where: short stacking energy: -177.467
Base-Backbone interact. energy: 2.086
local terms energy: -205.426265
where:
bonds (distance) C4'-P energy: -37.992
bonds (distance) P-C4' energy: -50.064
flat angles C4'-P-C4' energy: -51.401
flat angles P-C4'-P energy: -28.229
tors. eta vs tors. theta energy: -37.740
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: 7
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -450.923947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.923947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.923947 (E_RNA)
where:
Base-Base interactions energy: -252.863
where: short stacking energy: -131.492
Base-Backbone interact. energy: -0.549
local terms energy: -197.511499
where:
bonds (distance) C4'-P energy: -30.342
bonds (distance) P-C4' energy: -53.506
flat angles C4'-P-C4' energy: -49.689
flat angles P-C4'-P energy: -34.938
tors. eta vs tors. theta energy: -29.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -229.563454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.563454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.563454 (E_RNA)
where:
Base-Base interactions energy: -87.996
where: short stacking energy: -64.486
Base-Backbone interact. energy: -0.730
local terms energy: -140.838008
where:
bonds (distance) C4'-P energy: -34.865
bonds (distance) P-C4' energy: -39.145
flat angles C4'-P-C4' energy: -37.388
flat angles P-C4'-P energy: -30.117
tors. eta vs tors. theta energy: 0.677
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: 3
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -968.374006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.374006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.374006 (E_RNA)
where:
Base-Base interactions energy: -681.206
where: short stacking energy: -294.229
Base-Backbone interact. energy: -1.956
local terms energy: -285.212638
where:
bonds (distance) C4'-P energy: -45.394
bonds (distance) P-C4' energy: -55.807
flat angles C4'-P-C4' energy: -59.776
flat angles P-C4'-P energy: -38.752
tors. eta vs tors. theta energy: -85.484
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: 6
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -923.528553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.528553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.528553 (E_RNA)
where:
Base-Base interactions energy: -629.739
where: short stacking energy: -280.342
Base-Backbone interact. energy: -0.436
local terms energy: -293.353538
where:
bonds (distance) C4'-P energy: -54.093
bonds (distance) P-C4' energy: -54.443
flat angles C4'-P-C4' energy: -56.235
flat angles P-C4'-P energy: -43.711
tors. eta vs tors. theta energy: -84.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -898.688926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.688926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.688926 (E_RNA)
where:
Base-Base interactions energy: -645.377
where: short stacking energy: -261.740
Base-Backbone interact. energy: -1.075
local terms energy: -252.237330
where:
bonds (distance) C4'-P energy: -44.601
bonds (distance) P-C4' energy: -49.593
flat angles C4'-P-C4' energy: -52.995
flat angles P-C4'-P energy: -34.160
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: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -843.188784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.188784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.188784 (E_RNA)
where:
Base-Base interactions energy: -582.898
where: short stacking energy: -244.157
Base-Backbone interact. energy: -0.180
local terms energy: -260.110430
where:
bonds (distance) C4'-P energy: -44.292
bonds (distance) P-C4' energy: -55.281
flat angles C4'-P-C4' energy: -50.010
flat angles P-C4'-P energy: -35.853
tors. eta vs tors. theta energy: -74.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -809.602212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.602212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.602212 (E_RNA)
where:
Base-Base interactions energy: -552.993
where: short stacking energy: -239.848
Base-Backbone interact. energy: -0.959
local terms energy: -255.650184
where:
bonds (distance) C4'-P energy: -45.677
bonds (distance) P-C4' energy: -51.500
flat angles C4'-P-C4' energy: -59.408
flat angles P-C4'-P energy: -34.332
tors. eta vs tors. theta energy: -64.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -735.884386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.884386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.884386 (E_RNA)
where:
Base-Base interactions energy: -501.939
where: short stacking energy: -203.120
Base-Backbone interact. energy: -0.917
local terms energy: -233.028773
where:
bonds (distance) C4'-P energy: -45.600
bonds (distance) P-C4' energy: -48.706
flat angles C4'-P-C4' energy: -54.614
flat angles P-C4'-P energy: -36.606
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: 7, replica: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -711.145903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.145903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.145903 (E_RNA)
where:
Base-Base interactions energy: -493.750
where: short stacking energy: -197.830
Base-Backbone interact. energy: 1.726
local terms energy: -219.121390
where:
bonds (distance) C4'-P energy: -50.203
bonds (distance) P-C4' energy: -51.542
flat angles C4'-P-C4' energy: -41.908
flat angles P-C4'-P energy: -18.218
tors. eta vs tors. theta energy: -57.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -748.713836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.713836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.713836 (E_RNA)
where:
Base-Base interactions energy: -515.538
where: short stacking energy: -222.472
Base-Backbone interact. energy: -0.539
local terms energy: -232.637070
where:
bonds (distance) C4'-P energy: -54.273
bonds (distance) P-C4' energy: -44.537
flat angles C4'-P-C4' energy: -43.121
flat angles P-C4'-P energy: -31.525
tors. eta vs tors. theta energy: -59.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -420.493075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.493075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.493075 (E_RNA)
where:
Base-Base interactions energy: -268.868
where: short stacking energy: -125.816
Base-Backbone interact. energy: 1.694
local terms energy: -153.318729
where:
bonds (distance) C4'-P energy: -43.470
bonds (distance) P-C4' energy: -36.944
flat angles C4'-P-C4' energy: -35.055
flat angles P-C4'-P energy: -22.159
tors. eta vs tors. theta energy: -15.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -210.153731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.153731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.153731 (E_RNA)
where:
Base-Base interactions energy: -60.771
where: short stacking energy: -62.739
Base-Backbone interact. energy: -0.196
local terms energy: -149.186157
where:
bonds (distance) C4'-P energy: -47.573
bonds (distance) P-C4' energy: -40.420
flat angles C4'-P-C4' energy: -44.008
flat angles P-C4'-P energy: -24.918
tors. eta vs tors. theta energy: 7.733
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: 1, replica: 3
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -954.442398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.442398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.442398 (E_RNA)
where:
Base-Base interactions energy: -661.764
where: short stacking energy: -290.933
Base-Backbone interact. energy: -0.713
local terms energy: -291.965594
where:
bonds (distance) C4'-P energy: -48.052
bonds (distance) P-C4' energy: -47.754
flat angles C4'-P-C4' energy: -63.034
flat angles P-C4'-P energy: -42.961
tors. eta vs tors. theta energy: -90.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -925.340856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.340856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.340856 (E_RNA)
where:
Base-Base interactions energy: -639.343
where: short stacking energy: -268.127
Base-Backbone interact. energy: -1.124
local terms energy: -284.873533
where:
bonds (distance) C4'-P energy: -48.916
bonds (distance) P-C4' energy: -49.122
flat angles C4'-P-C4' energy: -60.156
flat angles P-C4'-P energy: -46.393
tors. eta vs tors. theta energy: -80.287
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: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -913.056081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.056081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.056081 (E_RNA)
where:
Base-Base interactions energy: -629.278
where: short stacking energy: -267.799
Base-Backbone interact. energy: -0.831
local terms energy: -282.946757
where:
bonds (distance) C4'-P energy: -52.005
bonds (distance) P-C4' energy: -53.358
flat angles C4'-P-C4' energy: -60.665
flat angles P-C4'-P energy: -32.630
tors. eta vs tors. theta energy: -84.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -830.761295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.761295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.761295 (E_RNA)
where:
Base-Base interactions energy: -561.094
where: short stacking energy: -251.884
Base-Backbone interact. energy: -1.042
local terms energy: -268.625354
where:
bonds (distance) C4'-P energy: -52.028
bonds (distance) P-C4' energy: -47.155
flat angles C4'-P-C4' energy: -60.286
flat angles P-C4'-P energy: -40.568
tors. eta vs tors. theta energy: -68.589
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: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -829.510027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.510027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.510027 (E_RNA)
where:
Base-Base interactions energy: -560.656
where: short stacking energy: -252.552
Base-Backbone interact. energy: -0.076
local terms energy: -268.778454
where:
bonds (distance) C4'-P energy: -49.390
bonds (distance) P-C4' energy: -54.051
flat angles C4'-P-C4' energy: -52.670
flat angles P-C4'-P energy: -40.984
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: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -768.656036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.656036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.656036 (E_RNA)
where:
Base-Base interactions energy: -539.306
where: short stacking energy: -223.047
Base-Backbone interact. energy: -0.422
local terms energy: -228.928148
where:
bonds (distance) C4'-P energy: -47.806
bonds (distance) P-C4' energy: -47.449
flat angles C4'-P-C4' energy: -44.410
flat angles P-C4'-P energy: -30.549
tors. eta vs tors. theta energy: -58.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -687.182392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.182392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.182392 (E_RNA)
where:
Base-Base interactions energy: -475.802
where: short stacking energy: -184.060
Base-Backbone interact. energy: 1.133
local terms energy: -212.513592
where:
bonds (distance) C4'-P energy: -39.913
bonds (distance) P-C4' energy: -45.156
flat angles C4'-P-C4' energy: -56.415
flat angles P-C4'-P energy: -26.559
tors. eta vs tors. theta energy: -44.470
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: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -728.451567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.451567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.451567 (E_RNA)
where:
Base-Base interactions energy: -517.841
where: short stacking energy: -211.643
Base-Backbone interact. energy: 1.087
local terms energy: -211.697593
where:
bonds (distance) C4'-P energy: -32.433
bonds (distance) P-C4' energy: -54.301
flat angles C4'-P-C4' energy: -37.681
flat angles P-C4'-P energy: -29.386
tors. eta vs tors. theta energy: -57.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -468.023997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.023997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.023997 (E_RNA)
where:
Base-Base interactions energy: -279.474
where: short stacking energy: -128.387
Base-Backbone interact. energy: -0.734
local terms energy: -187.815491
where:
bonds (distance) C4'-P energy: -39.582
bonds (distance) P-C4' energy: -45.257
flat angles C4'-P-C4' energy: -42.375
flat angles P-C4'-P energy: -33.626
tors. eta vs tors. theta energy: -26.975
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: 113
Temperature: 1.350000
Total energy: -233.078061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.078061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.078061 (E_RNA)
where:
Base-Base interactions energy: -94.681
where: short stacking energy: -75.860
Base-Backbone interact. energy: 3.203
local terms energy: -141.600246
where:
bonds (distance) C4'-P energy: -42.444
bonds (distance) P-C4' energy: -45.133
flat angles C4'-P-C4' energy: -34.435
flat angles P-C4'-P energy: -16.835
tors. eta vs tors. theta energy: -2.754
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: 3
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -963.848470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.848470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.848470 (E_RNA)
where:
Base-Base interactions energy: -665.993
where: short stacking energy: -293.471
Base-Backbone interact. energy: -0.633
local terms energy: -297.223031
where:
bonds (distance) C4'-P energy: -48.020
bonds (distance) P-C4' energy: -57.631
flat angles C4'-P-C4' energy: -58.843
flat angles P-C4'-P energy: -47.646
tors. eta vs tors. theta energy: -85.083
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: 6
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -930.502991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.502991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.502991 (E_RNA)
where:
Base-Base interactions energy: -643.053
where: short stacking energy: -284.583
Base-Backbone interact. energy: -0.658
local terms energy: -286.792493
where:
bonds (distance) C4'-P energy: -40.243
bonds (distance) P-C4' energy: -58.876
flat angles C4'-P-C4' energy: -59.354
flat angles P-C4'-P energy: -45.813
tors. eta vs tors. theta energy: -82.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -921.126862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.126862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.126862 (E_RNA)
where:
Base-Base interactions energy: -637.895
where: short stacking energy: -290.287
Base-Backbone interact. energy: -0.156
local terms energy: -283.075569
where:
bonds (distance) C4'-P energy: -54.098
bonds (distance) P-C4' energy: -47.672
flat angles C4'-P-C4' energy: -59.475
flat angles P-C4'-P energy: -37.725
tors. eta vs tors. theta energy: -84.106
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: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -840.344862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.344862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.344862 (E_RNA)
where:
Base-Base interactions energy: -579.887
where: short stacking energy: -254.495
Base-Backbone interact. energy: -1.172
local terms energy: -259.286602
where:
bonds (distance) C4'-P energy: -45.780
bonds (distance) P-C4' energy: -49.240
flat angles C4'-P-C4' energy: -54.851
flat angles P-C4'-P energy: -37.132
tors. eta vs tors. theta energy: -72.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -798.062049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.062049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.062049 (E_RNA)
where:
Base-Base interactions energy: -545.279
where: short stacking energy: -239.512
Base-Backbone interact. energy: -0.171
local terms energy: -252.611762
where:
bonds (distance) C4'-P energy: -47.071
bonds (distance) P-C4' energy: -45.649
flat angles C4'-P-C4' energy: -58.067
flat angles P-C4'-P energy: -30.686
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: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -734.878416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.878416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.878416 (E_RNA)
where:
Base-Base interactions energy: -494.134
where: short stacking energy: -210.729
Base-Backbone interact. energy: -0.991
local terms energy: -239.752726
where:
bonds (distance) C4'-P energy: -50.991
bonds (distance) P-C4' energy: -59.338
flat angles C4'-P-C4' energy: -43.724
flat angles P-C4'-P energy: -31.248
tors. eta vs tors. theta energy: -54.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -673.032104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.032104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.032104 (E_RNA)
where:
Base-Base interactions energy: -455.768
where: short stacking energy: -195.423
Base-Backbone interact. energy: -0.625
local terms energy: -216.639260
where:
bonds (distance) C4'-P energy: -46.084
bonds (distance) P-C4' energy: -41.885
flat angles C4'-P-C4' energy: -55.369
flat angles P-C4'-P energy: -22.112
tors. eta vs tors. theta energy: -51.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -708.861161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.861161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.861161 (E_RNA)
where:
Base-Base interactions energy: -483.580
where: short stacking energy: -184.845
Base-Backbone interact. energy: 2.070
local terms energy: -227.351176
where:
bonds (distance) C4'-P energy: -48.117
bonds (distance) P-C4' energy: -52.241
flat angles C4'-P-C4' energy: -47.952
flat angles P-C4'-P energy: -32.638
tors. eta vs tors. theta energy: -46.404
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: 7
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -462.795325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.795325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.795325 (E_RNA)
where:
Base-Base interactions energy: -270.078
where: short stacking energy: -134.680
Base-Backbone interact. energy: -1.044
local terms energy: -191.672691
where:
bonds (distance) C4'-P energy: -41.547
bonds (distance) P-C4' energy: -47.021
flat angles C4'-P-C4' energy: -40.233
flat angles P-C4'-P energy: -35.067
tors. eta vs tors. theta energy: -27.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -245.247290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.247290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.247290 (E_RNA)
where:
Base-Base interactions energy: -82.705
where: short stacking energy: -61.794
Base-Backbone interact. energy: 2.501
local terms energy: -165.043185
where:
bonds (distance) C4'-P energy: -51.339
bonds (distance) P-C4' energy: -52.489
flat angles C4'-P-C4' energy: -45.654
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: 3.963
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: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -954.756831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.756831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.756831 (E_RNA)
where:
Base-Base interactions energy: -667.520
where: short stacking energy: -310.544
Base-Backbone interact. energy: -0.992
local terms energy: -286.244791
where:
bonds (distance) C4'-P energy: -38.086
bonds (distance) P-C4' energy: -50.090
flat angles C4'-P-C4' energy: -61.068
flat angles P-C4'-P energy: -43.378
tors. eta vs tors. theta energy: -93.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -936.598991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.598991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.598991 (E_RNA)
where:
Base-Base interactions energy: -652.705
where: short stacking energy: -299.686
Base-Backbone interact. energy: 0.191
local terms energy: -284.084983
where:
bonds (distance) C4'-P energy: -52.571
bonds (distance) P-C4' energy: -48.443
flat angles C4'-P-C4' energy: -64.085
flat angles P-C4'-P energy: -30.439
tors. eta vs tors. theta energy: -88.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -922.664168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.664168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.664168 (E_RNA)
where:
Base-Base interactions energy: -643.863
where: short stacking energy: -274.578
Base-Backbone interact. energy: -2.214
local terms energy: -276.586713
where:
bonds (distance) C4'-P energy: -51.417
bonds (distance) P-C4' energy: -50.812
flat angles C4'-P-C4' energy: -56.267
flat angles P-C4'-P energy: -35.902
tors. eta vs tors. theta energy: -82.188
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: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -812.146785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.146785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.146785 (E_RNA)
where:
Base-Base interactions energy: -547.135
where: short stacking energy: -247.004
Base-Backbone interact. energy: 0.907
local terms energy: -265.918542
where:
bonds (distance) C4'-P energy: -47.916
bonds (distance) P-C4' energy: -52.430
flat angles C4'-P-C4' energy: -53.705
flat angles P-C4'-P energy: -35.109
tors. eta vs tors. theta energy: -76.759
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: 115
Temperature: 1.100000
Total energy: -835.002335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.002335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.002335 (E_RNA)
where:
Base-Base interactions energy: -578.322
where: short stacking energy: -258.264
Base-Backbone interact. energy: -0.867
local terms energy: -255.813827
where:
bonds (distance) C4'-P energy: -43.291
bonds (distance) P-C4' energy: -45.690
flat angles C4'-P-C4' energy: -52.994
flat angles P-C4'-P energy: -40.829
tors. eta vs tors. theta energy: -73.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -750.873820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.873820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.873820 (E_RNA)
where:
Base-Base interactions energy: -515.093
where: short stacking energy: -210.706
Base-Backbone interact. energy: -0.249
local terms energy: -235.532627
where:
bonds (distance) C4'-P energy: -50.620
bonds (distance) P-C4' energy: -50.969
flat angles C4'-P-C4' energy: -57.073
flat angles P-C4'-P energy: -27.846
tors. eta vs tors. theta energy: -49.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -678.869227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.869227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.869227 (E_RNA)
where:
Base-Base interactions energy: -467.050
where: short stacking energy: -200.731
Base-Backbone interact. energy: -0.017
local terms energy: -211.802228
where:
bonds (distance) C4'-P energy: -31.973
bonds (distance) P-C4' energy: -49.324
flat angles C4'-P-C4' energy: -46.912
flat angles P-C4'-P energy: -40.458
tors. eta vs tors. theta energy: -43.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -700.533390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.533390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.533390 (E_RNA)
where:
Base-Base interactions energy: -471.571
where: short stacking energy: -185.764
Base-Backbone interact. energy: -0.597
local terms energy: -228.364772
where:
bonds (distance) C4'-P energy: -44.160
bonds (distance) P-C4' energy: -49.367
flat angles C4'-P-C4' energy: -52.678
flat angles P-C4'-P energy: -34.562
tors. eta vs tors. theta energy: -47.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -438.966263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.966263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.966263 (E_RNA)
where:
Base-Base interactions energy: -245.467
where: short stacking energy: -134.534
Base-Backbone interact. energy: -0.548
local terms energy: -192.951725
where:
bonds (distance) C4'-P energy: -44.023
bonds (distance) P-C4' energy: -46.593
flat angles C4'-P-C4' energy: -47.169
flat angles P-C4'-P energy: -27.660
tors. eta vs tors. theta energy: -27.506
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: 115
Temperature: 1.350000
Total energy: -234.773494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.773494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.773494 (E_RNA)
where:
Base-Base interactions energy: -83.159
where: short stacking energy: -78.366
Base-Backbone interact. energy: 1.260
local terms energy: -152.874968
where:
bonds (distance) C4'-P energy: -44.571
bonds (distance) P-C4' energy: -44.281
flat angles C4'-P-C4' energy: -32.163
flat angles P-C4'-P energy: -22.273
tors. eta vs tors. theta energy: -9.587
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: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -946.419883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.419883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.419883 (E_RNA)
where:
Base-Base interactions energy: -650.081
where: short stacking energy: -284.393
Base-Backbone interact. energy: -2.052
local terms energy: -294.286941
where:
bonds (distance) C4'-P energy: -50.782
bonds (distance) P-C4' energy: -58.328
flat angles C4'-P-C4' energy: -60.375
flat angles P-C4'-P energy: -39.338
tors. eta vs tors. theta energy: -85.465
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: 2, replica: 1
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -937.001325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.001325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.001325 (E_RNA)
where:
Base-Base interactions energy: -644.694
where: short stacking energy: -292.223
Base-Backbone interact. energy: -1.430
local terms energy: -290.876823
where:
bonds (distance) C4'-P energy: -53.197
bonds (distance) P-C4' energy: -55.290
flat angles C4'-P-C4' energy: -57.344
flat angles P-C4'-P energy: -40.177
tors. eta vs tors. theta energy: -84.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -921.187735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.187735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.187735 (E_RNA)
where:
Base-Base interactions energy: -642.574
where: short stacking energy: -289.559
Base-Backbone interact. energy: -0.874
local terms energy: -277.739168
where:
bonds (distance) C4'-P energy: -48.850
bonds (distance) P-C4' energy: -51.968
flat angles C4'-P-C4' energy: -56.301
flat angles P-C4'-P energy: -36.992
tors. eta vs tors. theta energy: -83.628
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: 116
Temperature: 1.050000
Total energy: -818.537790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.537790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.537790 (E_RNA)
where:
Base-Base interactions energy: -547.827
where: short stacking energy: -244.191
Base-Backbone interact. energy: 0.386
local terms energy: -271.096936
where:
bonds (distance) C4'-P energy: -54.648
bonds (distance) P-C4' energy: -49.497
flat angles C4'-P-C4' energy: -49.152
flat angles P-C4'-P energy: -46.292
tors. eta vs tors. theta energy: -71.508
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: 116
Temperature: 1.100000
Total energy: -813.177751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.177751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.177751 (E_RNA)
where:
Base-Base interactions energy: -564.695
where: short stacking energy: -234.879
Base-Backbone interact. energy: -0.195
local terms energy: -248.287388
where:
bonds (distance) C4'-P energy: -45.734
bonds (distance) P-C4' energy: -49.213
flat angles C4'-P-C4' energy: -51.653
flat angles P-C4'-P energy: -37.555
tors. eta vs tors. theta energy: -64.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -740.408475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.408475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.408475 (E_RNA)
where:
Base-Base interactions energy: -526.824
where: short stacking energy: -212.754
Base-Backbone interact. energy: -1.633
local terms energy: -211.951309
where:
bonds (distance) C4'-P energy: -43.133
bonds (distance) P-C4' energy: -31.512
flat angles C4'-P-C4' energy: -55.160
flat angles P-C4'-P energy: -26.845
tors. eta vs tors. theta energy: -55.301
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: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -738.738760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.738760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.738760 (E_RNA)
where:
Base-Base interactions energy: -525.374
where: short stacking energy: -198.554
Base-Backbone interact. energy: -0.674
local terms energy: -212.690794
where:
bonds (distance) C4'-P energy: -41.649
bonds (distance) P-C4' energy: -40.661
flat angles C4'-P-C4' energy: -51.567
flat angles P-C4'-P energy: -30.839
tors. eta vs tors. theta energy: -47.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -651.692394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.692394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.692394 (E_RNA)
where:
Base-Base interactions energy: -457.886
where: short stacking energy: -194.222
Base-Backbone interact. energy: -1.443
local terms energy: -192.363361
where:
bonds (distance) C4'-P energy: -34.312
bonds (distance) P-C4' energy: -42.485
flat angles C4'-P-C4' energy: -46.190
flat angles P-C4'-P energy: -20.918
tors. eta vs tors. theta energy: -48.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -478.175539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.175539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.175539 (E_RNA)
where:
Base-Base interactions energy: -278.221
where: short stacking energy: -141.499
Base-Backbone interact. energy: -0.101
local terms energy: -199.853596
where:
bonds (distance) C4'-P energy: -45.943
bonds (distance) P-C4' energy: -48.160
flat angles C4'-P-C4' energy: -51.298
flat angles P-C4'-P energy: -25.359
tors. eta vs tors. theta energy: -29.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -222.791639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.791639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.791639 (E_RNA)
where:
Base-Base interactions energy: -79.205
where: short stacking energy: -60.374
Base-Backbone interact. energy: -0.740
local terms energy: -142.846771
where:
bonds (distance) C4'-P energy: -45.236
bonds (distance) P-C4' energy: -49.914
flat angles C4'-P-C4' energy: -26.450
flat angles P-C4'-P energy: -23.768
tors. eta vs tors. theta energy: 2.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -946.536419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.536419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.536419 (E_RNA)
where:
Base-Base interactions energy: -655.917
where: short stacking energy: -286.469
Base-Backbone interact. energy: -0.061
local terms energy: -290.558507
where:
bonds (distance) C4'-P energy: -54.911
bonds (distance) P-C4' energy: -50.362
flat angles C4'-P-C4' energy: -61.125
flat angles P-C4'-P energy: -39.956
tors. eta vs tors. theta energy: -84.204
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: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -949.370987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.370987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.370987 (E_RNA)
where:
Base-Base interactions energy: -649.624
where: short stacking energy: -281.663
Base-Backbone interact. energy: 1.179
local terms energy: -300.925476
where:
bonds (distance) C4'-P energy: -50.885
bonds (distance) P-C4' energy: -56.707
flat angles C4'-P-C4' energy: -63.594
flat angles P-C4'-P energy: -42.243
tors. eta vs tors. theta energy: -87.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -912.877979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.877979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.877979 (E_RNA)
where:
Base-Base interactions energy: -640.455
where: short stacking energy: -272.803
Base-Backbone interact. energy: -1.972
local terms energy: -270.450439
where:
bonds (distance) C4'-P energy: -47.824
bonds (distance) P-C4' energy: -39.765
flat angles C4'-P-C4' energy: -55.048
flat angles P-C4'-P energy: -40.844
tors. eta vs tors. theta energy: -86.970
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: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -835.479854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.479854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.479854 (E_RNA)
where:
Base-Base interactions energy: -567.585
where: short stacking energy: -248.823
Base-Backbone interact. energy: -0.331
local terms energy: -267.563568
where:
bonds (distance) C4'-P energy: -45.078
bonds (distance) P-C4' energy: -56.172
flat angles C4'-P-C4' energy: -51.748
flat angles P-C4'-P energy: -43.636
tors. eta vs tors. theta energy: -70.930
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: 5
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -830.218848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.218848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.218848 (E_RNA)
where:
Base-Base interactions energy: -561.147
where: short stacking energy: -249.917
Base-Backbone interact. energy: -0.150
local terms energy: -268.921663
where:
bonds (distance) C4'-P energy: -46.776
bonds (distance) P-C4' energy: -47.570
flat angles C4'-P-C4' energy: -57.570
flat angles P-C4'-P energy: -41.997
tors. eta vs tors. theta energy: -75.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -736.307218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.307218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.307218 (E_RNA)
where:
Base-Base interactions energy: -504.753
where: short stacking energy: -207.264
Base-Backbone interact. energy: -1.093
local terms energy: -230.461118
where:
bonds (distance) C4'-P energy: -34.158
bonds (distance) P-C4' energy: -40.099
flat angles C4'-P-C4' energy: -59.687
flat angles P-C4'-P energy: -37.147
tors. eta vs tors. theta energy: -59.371
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: 8
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -713.559401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.559401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.559401 (E_RNA)
where:
Base-Base interactions energy: -497.147
where: short stacking energy: -209.000
Base-Backbone interact. energy: -0.723
local terms energy: -215.689043
where:
bonds (distance) C4'-P energy: -44.644
bonds (distance) P-C4' energy: -38.306
flat angles C4'-P-C4' energy: -50.794
flat angles P-C4'-P energy: -30.688
tors. eta vs tors. theta energy: -51.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -622.855533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.855533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.855533 (E_RNA)
where:
Base-Base interactions energy: -416.205
where: short stacking energy: -164.861
Base-Backbone interact. energy: -0.261
local terms energy: -206.390119
where:
bonds (distance) C4'-P energy: -43.845
bonds (distance) P-C4' energy: -44.498
flat angles C4'-P-C4' energy: -48.825
flat angles P-C4'-P energy: -34.205
tors. eta vs tors. theta energy: -35.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -399.125546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.125546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.125546 (E_RNA)
where:
Base-Base interactions energy: -212.288
where: short stacking energy: -100.694
Base-Backbone interact. energy: -0.674
local terms energy: -186.163510
where:
bonds (distance) C4'-P energy: -49.700
bonds (distance) P-C4' energy: -50.901
flat angles C4'-P-C4' energy: -55.463
flat angles P-C4'-P energy: -25.091
tors. eta vs tors. theta energy: -5.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -225.610625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.610625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.610625 (E_RNA)
where:
Base-Base interactions energy: -69.985
where: short stacking energy: -63.227
Base-Backbone interact. energy: 2.140
local terms energy: -157.765574
where:
bonds (distance) C4'-P energy: -44.761
bonds (distance) P-C4' energy: -37.788
flat angles C4'-P-C4' energy: -36.941
flat angles P-C4'-P energy: -31.438
tors. eta vs tors. theta energy: -6.837
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: 6
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -956.726934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.726934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.726934 (E_RNA)
where:
Base-Base interactions energy: -670.688
where: short stacking energy: -296.359
Base-Backbone interact. energy: -1.136
local terms energy: -284.903184
where:
bonds (distance) C4'-P energy: -51.465
bonds (distance) P-C4' energy: -46.059
flat angles C4'-P-C4' energy: -54.590
flat angles P-C4'-P energy: -40.398
tors. eta vs tors. theta energy: -92.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -925.768770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.768770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.768770 (E_RNA)
where:
Base-Base interactions energy: -640.342
where: short stacking energy: -282.449
Base-Backbone interact. energy: -1.118
local terms energy: -284.308829
where:
bonds (distance) C4'-P energy: -45.914
bonds (distance) P-C4' energy: -55.285
flat angles C4'-P-C4' energy: -63.522
flat angles P-C4'-P energy: -40.277
tors. eta vs tors. theta energy: -79.312
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: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -918.880964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.880964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.880964 (E_RNA)
where:
Base-Base interactions energy: -626.859
where: short stacking energy: -283.466
Base-Backbone interact. energy: -1.356
local terms energy: -290.666319
where:
bonds (distance) C4'-P energy: -52.903
bonds (distance) P-C4' energy: -51.463
flat angles C4'-P-C4' energy: -62.265
flat angles P-C4'-P energy: -35.578
tors. eta vs tors. theta energy: -88.457
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: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -821.604885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.604885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.604885 (E_RNA)
where:
Base-Base interactions energy: -556.852
where: short stacking energy: -253.128
Base-Backbone interact. energy: 1.814
local terms energy: -266.566855
where:
bonds (distance) C4'-P energy: -53.114
bonds (distance) P-C4' energy: -48.021
flat angles C4'-P-C4' energy: -61.567
flat angles P-C4'-P energy: -37.298
tors. eta vs tors. theta energy: -66.567
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: 5, replica: 5
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -810.235072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.235072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.235072 (E_RNA)
where:
Base-Base interactions energy: -563.725
where: short stacking energy: -246.615
Base-Backbone interact. energy: 1.115
local terms energy: -247.624848
where:
bonds (distance) C4'-P energy: -45.739
bonds (distance) P-C4' energy: -47.319
flat angles C4'-P-C4' energy: -47.456
flat angles P-C4'-P energy: -37.740
tors. eta vs tors. theta energy: -69.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -750.343075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.343075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.343075 (E_RNA)
where:
Base-Base interactions energy: -510.433
where: short stacking energy: -211.654
Base-Backbone interact. energy: -0.415
local terms energy: -239.495410
where:
bonds (distance) C4'-P energy: -49.310
bonds (distance) P-C4' energy: -48.238
flat angles C4'-P-C4' energy: -51.137
flat angles P-C4'-P energy: -41.798
tors. eta vs tors. theta energy: -49.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -700.738175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.738175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.738175 (E_RNA)
where:
Base-Base interactions energy: -480.577
where: short stacking energy: -194.356
Base-Backbone interact. energy: 1.035
local terms energy: -221.196192
where:
bonds (distance) C4'-P energy: -52.997
bonds (distance) P-C4' energy: -46.023
flat angles C4'-P-C4' energy: -39.227
flat angles P-C4'-P energy: -36.405
tors. eta vs tors. theta energy: -46.545
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: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -629.143863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.143863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.143863 (E_RNA)
where:
Base-Base interactions energy: -404.687
where: short stacking energy: -165.072
Base-Backbone interact. energy: -1.240
local terms energy: -223.217757
where:
bonds (distance) C4'-P energy: -47.244
bonds (distance) P-C4' energy: -51.108
flat angles C4'-P-C4' energy: -44.909
flat angles P-C4'-P energy: -34.343
tors. eta vs tors. theta energy: -45.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -390.367470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.367470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.367470 (E_RNA)
where:
Base-Base interactions energy: -216.850
where: short stacking energy: -104.225
Base-Backbone interact. energy: 0.324
local terms energy: -173.841730
where:
bonds (distance) C4'-P energy: -47.848
bonds (distance) P-C4' energy: -52.124
flat angles C4'-P-C4' energy: -37.881
flat angles P-C4'-P energy: -24.992
tors. eta vs tors. theta energy: -10.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -231.462878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.462878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.462878 (E_RNA)
where:
Base-Base interactions energy: -99.701
where: short stacking energy: -76.081
Base-Backbone interact. energy: -2.253
local terms energy: -129.508741
where:
bonds (distance) C4'-P energy: -39.461
bonds (distance) P-C4' energy: -33.899
flat angles C4'-P-C4' energy: -31.272
flat angles P-C4'-P energy: -19.038
tors. eta vs tors. theta energy: -5.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -960.493705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.493705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.493705 (E_RNA)
where:
Base-Base interactions energy: -670.620
where: short stacking energy: -287.310
Base-Backbone interact. energy: -1.227
local terms energy: -288.646923
where:
bonds (distance) C4'-P energy: -51.101
bonds (distance) P-C4' energy: -51.888
flat angles C4'-P-C4' energy: -61.924
flat angles P-C4'-P energy: -41.549
tors. eta vs tors. theta energy: -82.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -925.931105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.931105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.931105 (E_RNA)
where:
Base-Base interactions energy: -635.068
where: short stacking energy: -278.820
Base-Backbone interact. energy: -0.663
local terms energy: -290.200222
where:
bonds (distance) C4'-P energy: -54.076
bonds (distance) P-C4' energy: -59.386
flat angles C4'-P-C4' energy: -53.693
flat angles P-C4'-P energy: -40.516
tors. eta vs tors. theta energy: -82.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -895.375133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.375133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.375133 (E_RNA)
where:
Base-Base interactions energy: -618.047
where: short stacking energy: -275.237
Base-Backbone interact. energy: -0.727
local terms energy: -276.601657
where:
bonds (distance) C4'-P energy: -49.797
bonds (distance) P-C4' energy: -47.165
flat angles C4'-P-C4' energy: -60.099
flat angles P-C4'-P energy: -33.388
tors. eta vs tors. theta energy: -86.153
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: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -822.826630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.826630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.826630 (E_RNA)
where:
Base-Base interactions energy: -559.454
where: short stacking energy: -232.604
Base-Backbone interact. energy: -0.342
local terms energy: -263.030726
where:
bonds (distance) C4'-P energy: -48.146
bonds (distance) P-C4' energy: -45.010
flat angles C4'-P-C4' energy: -55.881
flat angles P-C4'-P energy: -40.501
tors. eta vs tors. theta energy: -73.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -827.597113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.597113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.597113 (E_RNA)
where:
Base-Base interactions energy: -557.303
where: short stacking energy: -254.655
Base-Backbone interact. energy: 0.565
local terms energy: -270.858605
where:
bonds (distance) C4'-P energy: -53.217
bonds (distance) P-C4' energy: -48.184
flat angles C4'-P-C4' energy: -57.995
flat angles P-C4'-P energy: -42.147
tors. eta vs tors. theta energy: -69.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -747.809936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.809936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.809936 (E_RNA)
where:
Base-Base interactions energy: -505.765
where: short stacking energy: -210.106
Base-Backbone interact. energy: 0.180
local terms energy: -242.225180
where:
bonds (distance) C4'-P energy: -47.921
bonds (distance) P-C4' energy: -55.582
flat angles C4'-P-C4' energy: -41.952
flat angles P-C4'-P energy: -38.761
tors. eta vs tors. theta energy: -58.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -680.804194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.804194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.804194 (E_RNA)
where:
Base-Base interactions energy: -458.339
where: short stacking energy: -180.335
Base-Backbone interact. energy: -0.385
local terms energy: -222.080623
where:
bonds (distance) C4'-P energy: -34.907
bonds (distance) P-C4' energy: -51.114
flat angles C4'-P-C4' energy: -51.426
flat angles P-C4'-P energy: -36.438
tors. eta vs tors. theta energy: -48.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -630.248297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.248297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.248297 (E_RNA)
where:
Base-Base interactions energy: -423.181
where: short stacking energy: -199.415
Base-Backbone interact. energy: -1.058
local terms energy: -206.008794
where:
bonds (distance) C4'-P energy: -35.381
bonds (distance) P-C4' energy: -43.082
flat angles C4'-P-C4' energy: -48.835
flat angles P-C4'-P energy: -33.695
tors. eta vs tors. theta energy: -45.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -373.682859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.682859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.682859 (E_RNA)
where:
Base-Base interactions energy: -210.752
where: short stacking energy: -107.099
Base-Backbone interact. energy: -0.844
local terms energy: -162.086914
where:
bonds (distance) C4'-P energy: -36.045
bonds (distance) P-C4' energy: -55.230
flat angles C4'-P-C4' energy: -46.194
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -7.498
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: 119
Temperature: 1.350000
Total energy: -228.646917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.646917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.646917 (E_RNA)
where:
Base-Base interactions energy: -96.344
where: short stacking energy: -62.124
Base-Backbone interact. energy: -0.974
local terms energy: -131.328896
where:
bonds (distance) C4'-P energy: -38.317
bonds (distance) P-C4' energy: -45.384
flat angles C4'-P-C4' energy: -25.932
flat angles P-C4'-P energy: -26.226
tors. eta vs tors. theta energy: 4.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -965.114151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.114151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.114151 (E_RNA)
where:
Base-Base interactions energy: -670.147
where: short stacking energy: -302.285
Base-Backbone interact. energy: 0.867
local terms energy: -295.833820
where:
bonds (distance) C4'-P energy: -53.535
bonds (distance) P-C4' energy: -61.213
flat angles C4'-P-C4' energy: -60.029
flat angles P-C4'-P energy: -34.709
tors. eta vs tors. theta energy: -86.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -911.663424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.663424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.663424 (E_RNA)
where:
Base-Base interactions energy: -640.146
where: short stacking energy: -267.767
Base-Backbone interact. energy: -1.560
local terms energy: -269.956979
where:
bonds (distance) C4'-P energy: -53.717
bonds (distance) P-C4' energy: -47.875
flat angles C4'-P-C4' energy: -52.939
flat angles P-C4'-P energy: -37.125
tors. eta vs tors. theta energy: -78.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -911.194036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.194036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.194036 (E_RNA)
where:
Base-Base interactions energy: -631.191
where: short stacking energy: -287.819
Base-Backbone interact. energy: -1.121
local terms energy: -278.882028
where:
bonds (distance) C4'-P energy: -51.106
bonds (distance) P-C4' energy: -50.903
flat angles C4'-P-C4' energy: -52.640
flat angles P-C4'-P energy: -39.632
tors. eta vs tors. theta energy: -84.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -800.808880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.808880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.808880 (E_RNA)
where:
Base-Base interactions energy: -555.258
where: short stacking energy: -228.772
Base-Backbone interact. energy: 0.322
local terms energy: -245.873193
where:
bonds (distance) C4'-P energy: -52.632
bonds (distance) P-C4' energy: -46.644
flat angles C4'-P-C4' energy: -45.348
flat angles P-C4'-P energy: -44.399
tors. eta vs tors. theta energy: -56.851
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: 5, replica: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -808.329095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.329095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.329095 (E_RNA)
where:
Base-Base interactions energy: -542.734
where: short stacking energy: -237.747
Base-Backbone interact. energy: -0.284
local terms energy: -265.310869
where:
bonds (distance) C4'-P energy: -57.442
bonds (distance) P-C4' energy: -51.287
flat angles C4'-P-C4' energy: -54.200
flat angles P-C4'-P energy: -41.561
tors. eta vs tors. theta energy: -60.821
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: 9
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -742.066366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.066366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.066366 (E_RNA)
where:
Base-Base interactions energy: -523.209
where: short stacking energy: -211.399
Base-Backbone interact. energy: -0.212
local terms energy: -218.645387
where:
bonds (distance) C4'-P energy: -36.520
bonds (distance) P-C4' energy: -46.455
flat angles C4'-P-C4' energy: -52.146
flat angles P-C4'-P energy: -27.468
tors. eta vs tors. theta energy: -56.056
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: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -721.338634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.338634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.338634 (E_RNA)
where:
Base-Base interactions energy: -497.867
where: short stacking energy: -209.142
Base-Backbone interact. energy: -2.342
local terms energy: -221.129975
where:
bonds (distance) C4'-P energy: -29.229
bonds (distance) P-C4' energy: -48.031
flat angles C4'-P-C4' energy: -55.692
flat angles P-C4'-P energy: -34.463
tors. eta vs tors. theta energy: -53.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -681.338805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.338805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.338805 (E_RNA)
where:
Base-Base interactions energy: -433.798
where: short stacking energy: -196.015
Base-Backbone interact. energy: -0.272
local terms energy: -247.269280
where:
bonds (distance) C4'-P energy: -52.260
bonds (distance) P-C4' energy: -52.453
flat angles C4'-P-C4' energy: -53.682
flat angles P-C4'-P energy: -33.347
tors. eta vs tors. theta energy: -55.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -374.307774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.307774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.307774 (E_RNA)
where:
Base-Base interactions energy: -217.630
where: short stacking energy: -105.565
Base-Backbone interact. energy: -0.750
local terms energy: -155.927013
where:
bonds (distance) C4'-P energy: -40.025
bonds (distance) P-C4' energy: -50.626
flat angles C4'-P-C4' energy: -34.735
flat angles P-C4'-P energy: -19.942
tors. eta vs tors. theta energy: -10.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -264.721657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.721657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.721657 (E_RNA)
where:
Base-Base interactions energy: -123.870
where: short stacking energy: -68.235
Base-Backbone interact. energy: 1.142
local terms energy: -141.994050
where:
bonds (distance) C4'-P energy: -32.828
bonds (distance) P-C4' energy: -40.075
flat angles C4'-P-C4' energy: -43.771
flat angles P-C4'-P energy: -25.138
tors. eta vs tors. theta energy: -0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -964.266597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.266597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.266597 (E_RNA)
where:
Base-Base interactions energy: -667.963
where: short stacking energy: -292.473
Base-Backbone interact. energy: -0.382
local terms energy: -295.921288
where:
bonds (distance) C4'-P energy: -49.740
bonds (distance) P-C4' energy: -53.064
flat angles C4'-P-C4' energy: -61.995
flat angles P-C4'-P energy: -44.753
tors. eta vs tors. theta energy: -86.370
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: 121
Temperature: 0.950000
Total energy: -940.634499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.634499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.634499 (E_RNA)
where:
Base-Base interactions energy: -636.393
where: short stacking energy: -286.695
Base-Backbone interact. energy: -1.030
local terms energy: -303.211458
where:
bonds (distance) C4'-P energy: -56.203
bonds (distance) P-C4' energy: -59.323
flat angles C4'-P-C4' energy: -66.620
flat angles P-C4'-P energy: -37.300
tors. eta vs tors. theta energy: -83.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -889.347455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.347455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.347455 (E_RNA)
where:
Base-Base interactions energy: -608.281
where: short stacking energy: -255.419
Base-Backbone interact. energy: -1.047
local terms energy: -280.019112
where:
bonds (distance) C4'-P energy: -52.686
bonds (distance) P-C4' energy: -42.903
flat angles C4'-P-C4' energy: -59.907
flat angles P-C4'-P energy: -43.095
tors. eta vs tors. theta energy: -81.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -802.067595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.067595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.067595 (E_RNA)
where:
Base-Base interactions energy: -531.923
where: short stacking energy: -222.794
Base-Backbone interact. energy: -1.049
local terms energy: -269.095399
where:
bonds (distance) C4'-P energy: -50.036
bonds (distance) P-C4' energy: -51.808
flat angles C4'-P-C4' energy: -60.901
flat angles P-C4'-P energy: -39.330
tors. eta vs tors. theta energy: -67.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -823.276174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.276174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.276174 (E_RNA)
where:
Base-Base interactions energy: -557.679
where: short stacking energy: -248.236
Base-Backbone interact. energy: -0.667
local terms energy: -264.930202
where:
bonds (distance) C4'-P energy: -42.705
bonds (distance) P-C4' energy: -51.507
flat angles C4'-P-C4' energy: -57.322
flat angles P-C4'-P energy: -37.698
tors. eta vs tors. theta energy: -75.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -742.764408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.764408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.764408 (E_RNA)
where:
Base-Base interactions energy: -517.393
where: short stacking energy: -210.070
Base-Backbone interact. energy: -1.045
local terms energy: -224.326066
where:
bonds (distance) C4'-P energy: -43.110
bonds (distance) P-C4' energy: -43.087
flat angles C4'-P-C4' energy: -54.468
flat angles P-C4'-P energy: -32.464
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: 8
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -717.738497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.738497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.738497 (E_RNA)
where:
Base-Base interactions energy: -503.401
where: short stacking energy: -201.184
Base-Backbone interact. energy: 1.487
local terms energy: -215.824908
where:
bonds (distance) C4'-P energy: -41.977
bonds (distance) P-C4' energy: -48.662
flat angles C4'-P-C4' energy: -44.983
flat angles P-C4'-P energy: -25.695
tors. eta vs tors. theta energy: -54.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -660.438575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.438575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.438575 (E_RNA)
where:
Base-Base interactions energy: -429.796
where: short stacking energy: -175.347
Base-Backbone interact. energy: -0.594
local terms energy: -230.048986
where:
bonds (distance) C4'-P energy: -50.111
bonds (distance) P-C4' energy: -42.121
flat angles C4'-P-C4' energy: -50.617
flat angles P-C4'-P energy: -38.736
tors. eta vs tors. theta energy: -48.464
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: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -397.624948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.624948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.624948 (E_RNA)
where:
Base-Base interactions energy: -223.468
where: short stacking energy: -120.705
Base-Backbone interact. energy: 0.702
local terms energy: -174.859400
where:
bonds (distance) C4'-P energy: -47.487
bonds (distance) P-C4' energy: -56.371
flat angles C4'-P-C4' energy: -39.952
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -16.421
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: 121
Temperature: 1.350000
Total energy: -290.095097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.095097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.095097 (E_RNA)
where:
Base-Base interactions energy: -134.236
where: short stacking energy: -74.907
Base-Backbone interact. energy: -2.521
local terms energy: -153.337973
where:
bonds (distance) C4'-P energy: -56.621
bonds (distance) P-C4' energy: -47.382
flat angles C4'-P-C4' energy: -28.903
flat angles P-C4'-P energy: -23.876
tors. eta vs tors. theta energy: 3.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -957.909444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.909444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.909444 (E_RNA)
where:
Base-Base interactions energy: -669.503
where: short stacking energy: -299.060
Base-Backbone interact. energy: -1.159
local terms energy: -287.247697
where:
bonds (distance) C4'-P energy: -49.282
bonds (distance) P-C4' energy: -45.838
flat angles C4'-P-C4' energy: -62.380
flat angles P-C4'-P energy: -43.881
tors. eta vs tors. theta energy: -85.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -929.074484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.074484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.074484 (E_RNA)
where:
Base-Base interactions energy: -644.772
where: short stacking energy: -285.462
Base-Backbone interact. energy: -0.340
local terms energy: -283.962105
where:
bonds (distance) C4'-P energy: -45.303
bonds (distance) P-C4' energy: -49.906
flat angles C4'-P-C4' energy: -60.645
flat angles P-C4'-P energy: -39.503
tors. eta vs tors. theta energy: -88.605
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: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -895.300578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.300578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.300578 (E_RNA)
where:
Base-Base interactions energy: -617.047
where: short stacking energy: -267.254
Base-Backbone interact. energy: 0.615
local terms energy: -278.868256
where:
bonds (distance) C4'-P energy: -46.794
bonds (distance) P-C4' energy: -52.758
flat angles C4'-P-C4' energy: -63.192
flat angles P-C4'-P energy: -34.365
tors. eta vs tors. theta energy: -81.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -834.207842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.207842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.207842 (E_RNA)
where:
Base-Base interactions energy: -576.621
where: short stacking energy: -248.960
Base-Backbone interact. energy: -0.587
local terms energy: -256.998944
where:
bonds (distance) C4'-P energy: -42.479
bonds (distance) P-C4' energy: -51.989
flat angles C4'-P-C4' energy: -52.097
flat angles P-C4'-P energy: -43.004
tors. eta vs tors. theta energy: -67.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -811.761051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.761051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.761051 (E_RNA)
where:
Base-Base interactions energy: -556.393
where: short stacking energy: -238.570
Base-Backbone interact. energy: -1.136
local terms energy: -254.232118
where:
bonds (distance) C4'-P energy: -53.353
bonds (distance) P-C4' energy: -53.356
flat angles C4'-P-C4' energy: -46.901
flat angles P-C4'-P energy: -31.759
tors. eta vs tors. theta energy: -68.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -772.882323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.882323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.882323 (E_RNA)
where:
Base-Base interactions energy: -530.224
where: short stacking energy: -208.598
Base-Backbone interact. energy: -0.761
local terms energy: -241.897014
where:
bonds (distance) C4'-P energy: -44.760
bonds (distance) P-C4' energy: -55.563
flat angles C4'-P-C4' energy: -49.468
flat angles P-C4'-P energy: -32.353
tors. eta vs tors. theta energy: -59.753
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: 8
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -700.183658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.183658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.183658 (E_RNA)
where:
Base-Base interactions energy: -463.637
where: short stacking energy: -190.705
Base-Backbone interact. energy: -0.434
local terms energy: -236.112367
where:
bonds (distance) C4'-P energy: -44.985
bonds (distance) P-C4' energy: -41.124
flat angles C4'-P-C4' energy: -52.399
flat angles P-C4'-P energy: -41.034
tors. eta vs tors. theta energy: -56.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -707.678228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.678228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.678228 (E_RNA)
where:
Base-Base interactions energy: -473.820
where: short stacking energy: -197.566
Base-Backbone interact. energy: -1.085
local terms energy: -232.773015
where:
bonds (distance) C4'-P energy: -50.217
bonds (distance) P-C4' energy: -52.038
flat angles C4'-P-C4' energy: -47.510
flat angles P-C4'-P energy: -27.406
tors. eta vs tors. theta energy: -55.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -374.257351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.257351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.257351 (E_RNA)
where:
Base-Base interactions energy: -193.265
where: short stacking energy: -107.096
Base-Backbone interact. energy: 0.236
local terms energy: -181.228796
where:
bonds (distance) C4'-P energy: -54.189
bonds (distance) P-C4' energy: -50.534
flat angles C4'-P-C4' energy: -40.971
flat angles P-C4'-P energy: -27.594
tors. eta vs tors. theta energy: -7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -344.486083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.486083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.486083 (E_RNA)
where:
Base-Base interactions energy: -191.555
where: short stacking energy: -92.778
Base-Backbone interact. energy: -0.873
local terms energy: -152.058721
where:
bonds (distance) C4'-P energy: -42.177
bonds (distance) P-C4' energy: -48.439
flat angles C4'-P-C4' energy: -36.296
flat angles P-C4'-P energy: -24.799
tors. eta vs tors. theta energy: -0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -963.310811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.310811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.310811 (E_RNA)
where:
Base-Base interactions energy: -664.611
where: short stacking energy: -299.366
Base-Backbone interact. energy: -0.449
local terms energy: -298.251209
where:
bonds (distance) C4'-P energy: -57.517
bonds (distance) P-C4' energy: -51.000
flat angles C4'-P-C4' energy: -60.687
flat angles P-C4'-P energy: -40.991
tors. eta vs tors. theta energy: -88.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -947.193286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.193286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.193286 (E_RNA)
where:
Base-Base interactions energy: -647.223
where: short stacking energy: -286.365
Base-Backbone interact. energy: -1.002
local terms energy: -298.968796
where:
bonds (distance) C4'-P energy: -54.749
bonds (distance) P-C4' energy: -53.083
flat angles C4'-P-C4' energy: -62.505
flat angles P-C4'-P energy: -44.878
tors. eta vs tors. theta energy: -83.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -902.045979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.045979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.045979 (E_RNA)
where:
Base-Base interactions energy: -620.410
where: short stacking energy: -261.740
Base-Backbone interact. energy: -0.624
local terms energy: -281.011858
where:
bonds (distance) C4'-P energy: -50.370
bonds (distance) P-C4' energy: -56.307
flat angles C4'-P-C4' energy: -51.942
flat angles P-C4'-P energy: -42.913
tors. eta vs tors. theta energy: -79.480
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: 123
Temperature: 1.050000
Total energy: -814.028943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.028943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.028943 (E_RNA)
where:
Base-Base interactions energy: -551.457
where: short stacking energy: -247.860
Base-Backbone interact. energy: 3.734
local terms energy: -266.305464
where:
bonds (distance) C4'-P energy: -45.016
bonds (distance) P-C4' energy: -57.574
flat angles C4'-P-C4' energy: -57.156
flat angles P-C4'-P energy: -40.256
tors. eta vs tors. theta energy: -66.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -823.148461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.148461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.148461 (E_RNA)
where:
Base-Base interactions energy: -562.015
where: short stacking energy: -237.433
Base-Backbone interact. energy: -0.659
local terms energy: -260.474930
where:
bonds (distance) C4'-P energy: -49.226
bonds (distance) P-C4' energy: -43.331
flat angles C4'-P-C4' energy: -63.901
flat angles P-C4'-P energy: -33.296
tors. eta vs tors. theta energy: -70.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -771.765337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.765337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.765337 (E_RNA)
where:
Base-Base interactions energy: -537.613
where: short stacking energy: -218.238
Base-Backbone interact. energy: 0.894
local terms energy: -235.045758
where:
bonds (distance) C4'-P energy: -49.149
bonds (distance) P-C4' energy: -49.153
flat angles C4'-P-C4' energy: -42.386
flat angles P-C4'-P energy: -34.965
tors. eta vs tors. theta energy: -59.392
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: 123
Temperature: 1.200000
Total energy: -730.929325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.929325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.929325 (E_RNA)
where:
Base-Base interactions energy: -521.106
where: short stacking energy: -237.502
Base-Backbone interact. energy: 0.431
local terms energy: -210.254965
where:
bonds (distance) C4'-P energy: -37.315
bonds (distance) P-C4' energy: -38.546
flat angles C4'-P-C4' energy: -56.365
flat angles P-C4'-P energy: -22.668
tors. eta vs tors. theta energy: -55.361
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: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -694.552744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.552744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.552744 (E_RNA)
where:
Base-Base interactions energy: -483.862
where: short stacking energy: -213.619
Base-Backbone interact. energy: -1.735
local terms energy: -208.955794
where:
bonds (distance) C4'-P energy: -30.952
bonds (distance) P-C4' energy: -50.310
flat angles C4'-P-C4' energy: -49.162
flat angles P-C4'-P energy: -27.739
tors. eta vs tors. theta energy: -50.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -403.888987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.888987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.888987 (E_RNA)
where:
Base-Base interactions energy: -229.328
where: short stacking energy: -107.813
Base-Backbone interact. energy: -0.184
local terms energy: -174.376600
where:
bonds (distance) C4'-P energy: -36.607
bonds (distance) P-C4' energy: -50.285
flat angles C4'-P-C4' energy: -51.174
flat angles P-C4'-P energy: -26.897
tors. eta vs tors. theta energy: -9.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -364.976765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.976765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.976765 (E_RNA)
where:
Base-Base interactions energy: -187.098
where: short stacking energy: -113.728
Base-Backbone interact. energy: -0.026
local terms energy: -177.853432
where:
bonds (distance) C4'-P energy: -34.501
bonds (distance) P-C4' energy: -45.351
flat angles C4'-P-C4' energy: -39.670
flat angles P-C4'-P energy: -32.584
tors. eta vs tors. theta energy: -25.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -944.518188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.518188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.518188 (E_RNA)
where:
Base-Base interactions energy: -640.832
where: short stacking energy: -286.753
Base-Backbone interact. energy: -1.031
local terms energy: -302.655531
where:
bonds (distance) C4'-P energy: -53.587
bonds (distance) P-C4' energy: -58.899
flat angles C4'-P-C4' energy: -59.927
flat angles P-C4'-P energy: -46.707
tors. eta vs tors. theta energy: -83.535
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: 2, replica: 3
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -938.755899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.755899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.755899 (E_RNA)
where:
Base-Base interactions energy: -646.262
where: short stacking energy: -284.198
Base-Backbone interact. energy: -1.306
local terms energy: -291.188160
where:
bonds (distance) C4'-P energy: -51.042
bonds (distance) P-C4' energy: -58.213
flat angles C4'-P-C4' energy: -58.937
flat angles P-C4'-P energy: -35.207
tors. eta vs tors. theta energy: -87.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -911.156448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.156448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.156448 (E_RNA)
where:
Base-Base interactions energy: -614.819
where: short stacking energy: -276.514
Base-Backbone interact. energy: -0.876
local terms energy: -295.461154
where:
bonds (distance) C4'-P energy: -48.529
bonds (distance) P-C4' energy: -60.821
flat angles C4'-P-C4' energy: -56.455
flat angles P-C4'-P energy: -41.832
tors. eta vs tors. theta energy: -87.824
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: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -814.701405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.701405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.701405 (E_RNA)
where:
Base-Base interactions energy: -559.789
where: short stacking energy: -247.586
Base-Backbone interact. energy: 1.298
local terms energy: -256.210886
where:
bonds (distance) C4'-P energy: -40.003
bonds (distance) P-C4' energy: -43.451
flat angles C4'-P-C4' energy: -54.627
flat angles P-C4'-P energy: -45.357
tors. eta vs tors. theta energy: -72.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -834.293109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.293109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.293109 (E_RNA)
where:
Base-Base interactions energy: -568.254
where: short stacking energy: -249.409
Base-Backbone interact. energy: -0.196
local terms energy: -265.843537
where:
bonds (distance) C4'-P energy: -48.015
bonds (distance) P-C4' energy: -53.168
flat angles C4'-P-C4' energy: -51.495
flat angles P-C4'-P energy: -41.707
tors. eta vs tors. theta energy: -71.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -770.067918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.067918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.067918 (E_RNA)
where:
Base-Base interactions energy: -543.155
where: short stacking energy: -223.242
Base-Backbone interact. energy: -0.370
local terms energy: -226.542642
where:
bonds (distance) C4'-P energy: -46.307
bonds (distance) P-C4' energy: -45.195
flat angles C4'-P-C4' energy: -48.356
flat angles P-C4'-P energy: -36.710
tors. eta vs tors. theta energy: -49.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -744.362835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.362835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.362835 (E_RNA)
where:
Base-Base interactions energy: -504.951
where: short stacking energy: -209.584
Base-Backbone interact. energy: -0.176
local terms energy: -239.236133
where:
bonds (distance) C4'-P energy: -39.512
bonds (distance) P-C4' energy: -54.684
flat angles C4'-P-C4' energy: -45.650
flat angles P-C4'-P energy: -39.870
tors. eta vs tors. theta energy: -59.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -647.783805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.783805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.783805 (E_RNA)
where:
Base-Base interactions energy: -450.474
where: short stacking energy: -179.778
Base-Backbone interact. energy: -0.476
local terms energy: -196.833719
where:
bonds (distance) C4'-P energy: -50.627
bonds (distance) P-C4' energy: -35.196
flat angles C4'-P-C4' energy: -44.615
flat angles P-C4'-P energy: -30.665
tors. eta vs tors. theta energy: -35.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -431.254312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.254312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.254312 (E_RNA)
where:
Base-Base interactions energy: -245.255
where: short stacking energy: -123.708
Base-Backbone interact. energy: -1.127
local terms energy: -184.871751
where:
bonds (distance) C4'-P energy: -48.784
bonds (distance) P-C4' energy: -38.170
flat angles C4'-P-C4' energy: -51.934
flat angles P-C4'-P energy: -24.033
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: 10, replica: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -365.719838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.719838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.719838 (E_RNA)
where:
Base-Base interactions energy: -203.644
where: short stacking energy: -109.639
Base-Backbone interact. energy: -0.212
local terms energy: -161.864223
where:
bonds (distance) C4'-P energy: -38.989
bonds (distance) P-C4' energy: -46.960
flat angles C4'-P-C4' energy: -36.180
flat angles P-C4'-P energy: -30.075
tors. eta vs tors. theta energy: -9.660
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: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -942.254468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.254468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.254468 (E_RNA)
where:
Base-Base interactions energy: -658.174
where: short stacking energy: -278.686
Base-Backbone interact. energy: -0.654
local terms energy: -283.426880
where:
bonds (distance) C4'-P energy: -51.784
bonds (distance) P-C4' energy: -50.169
flat angles C4'-P-C4' energy: -58.386
flat angles P-C4'-P energy: -37.953
tors. eta vs tors. theta energy: -85.135
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: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -941.065601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.065601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.065601 (E_RNA)
where:
Base-Base interactions energy: -639.923
where: short stacking energy: -287.384
Base-Backbone interact. energy: -1.657
local terms energy: -299.485962
where:
bonds (distance) C4'-P energy: -49.886
bonds (distance) P-C4' energy: -57.308
flat angles C4'-P-C4' energy: -60.545
flat angles P-C4'-P energy: -41.912
tors. eta vs tors. theta energy: -89.836
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: 6
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -895.712365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.712365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.712365 (E_RNA)
where:
Base-Base interactions energy: -627.249
where: short stacking energy: -259.758
Base-Backbone interact. energy: 3.500
local terms energy: -271.963021
where:
bonds (distance) C4'-P energy: -49.959
bonds (distance) P-C4' energy: -50.786
flat angles C4'-P-C4' energy: -49.196
flat angles P-C4'-P energy: -45.453
tors. eta vs tors. theta energy: -76.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -852.185486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.185486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.185486 (E_RNA)
where:
Base-Base interactions energy: -580.463
where: short stacking energy: -257.728
Base-Backbone interact. energy: -0.389
local terms energy: -271.333339
where:
bonds (distance) C4'-P energy: -48.916
bonds (distance) P-C4' energy: -48.074
flat angles C4'-P-C4' energy: -64.249
flat angles P-C4'-P energy: -39.964
tors. eta vs tors. theta energy: -70.130
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: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -810.236407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.236407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.236407 (E_RNA)
where:
Base-Base interactions energy: -554.138
where: short stacking energy: -247.191
Base-Backbone interact. energy: -0.055
local terms energy: -256.043506
where:
bonds (distance) C4'-P energy: -43.362
bonds (distance) P-C4' energy: -54.107
flat angles C4'-P-C4' energy: -50.590
flat angles P-C4'-P energy: -31.727
tors. eta vs tors. theta energy: -76.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -763.842434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.842434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.842434 (E_RNA)
where:
Base-Base interactions energy: -525.856
where: short stacking energy: -217.676
Base-Backbone interact. energy: -0.662
local terms energy: -237.324910
where:
bonds (distance) C4'-P energy: -40.647
bonds (distance) P-C4' energy: -44.304
flat angles C4'-P-C4' energy: -53.655
flat angles P-C4'-P energy: -35.476
tors. eta vs tors. theta energy: -63.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -723.894831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.894831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.894831 (E_RNA)
where:
Base-Base interactions energy: -507.884
where: short stacking energy: -207.657
Base-Backbone interact. energy: -0.642
local terms energy: -215.369021
where:
bonds (distance) C4'-P energy: -28.890
bonds (distance) P-C4' energy: -51.108
flat angles C4'-P-C4' energy: -50.288
flat angles P-C4'-P energy: -35.072
tors. eta vs tors. theta energy: -50.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -670.984473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.984473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.984473 (E_RNA)
where:
Base-Base interactions energy: -465.229
where: short stacking energy: -192.899
Base-Backbone interact. energy: 0.022
local terms energy: -205.777118
where:
bonds (distance) C4'-P energy: -33.908
bonds (distance) P-C4' energy: -39.776
flat angles C4'-P-C4' energy: -50.825
flat angles P-C4'-P energy: -35.430
tors. eta vs tors. theta energy: -45.838
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: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -422.586615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.586615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.586615 (E_RNA)
where:
Base-Base interactions energy: -236.639
where: short stacking energy: -126.067
Base-Backbone interact. energy: -0.557
local terms energy: -185.389889
where:
bonds (distance) C4'-P energy: -46.262
bonds (distance) P-C4' energy: -34.540
flat angles C4'-P-C4' energy: -45.546
flat angles P-C4'-P energy: -30.565
tors. eta vs tors. theta energy: -28.477
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: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -340.369050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.369050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.369050 (E_RNA)
where:
Base-Base interactions energy: -188.945
where: short stacking energy: -105.475
Base-Backbone interact. energy: -0.023
local terms energy: -151.400675
where:
bonds (distance) C4'-P energy: -40.189
bonds (distance) P-C4' energy: -46.841
flat angles C4'-P-C4' energy: -33.426
flat angles P-C4'-P energy: -28.719
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -940.654825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.654825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.654825 (E_RNA)
where:
Base-Base interactions energy: -674.867
where: short stacking energy: -296.639
Base-Backbone interact. energy: -0.868
local terms energy: -264.919121
where:
bonds (distance) C4'-P energy: -44.721
bonds (distance) P-C4' energy: -36.468
flat angles C4'-P-C4' energy: -57.159
flat angles P-C4'-P energy: -38.723
tors. eta vs tors. theta energy: -87.848
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: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -939.108571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.108571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.108571 (E_RNA)
where:
Base-Base interactions energy: -644.354
where: short stacking energy: -282.258
Base-Backbone interact. energy: 1.803
local terms energy: -296.557146
where:
bonds (distance) C4'-P energy: -52.965
bonds (distance) P-C4' energy: -54.024
flat angles C4'-P-C4' energy: -60.980
flat angles P-C4'-P energy: -41.508
tors. eta vs tors. theta energy: -87.080
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: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -860.187169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.187169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.187169 (E_RNA)
where:
Base-Base interactions energy: -583.741
where: short stacking energy: -258.928
Base-Backbone interact. energy: 1.261
local terms energy: -277.707042
where:
bonds (distance) C4'-P energy: -44.350
bonds (distance) P-C4' energy: -54.613
flat angles C4'-P-C4' energy: -59.958
flat angles P-C4'-P energy: -41.861
tors. eta vs tors. theta energy: -76.925
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: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -877.503107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.503107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.503107 (E_RNA)
where:
Base-Base interactions energy: -602.715
where: short stacking energy: -263.439
Base-Backbone interact. energy: -1.376
local terms energy: -273.412211
where:
bonds (distance) C4'-P energy: -49.145
bonds (distance) P-C4' energy: -46.265
flat angles C4'-P-C4' energy: -59.265
flat angles P-C4'-P energy: -41.230
tors. eta vs tors. theta energy: -77.508
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: 5
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -809.129672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.129672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.129672 (E_RNA)
where:
Base-Base interactions energy: -543.508
where: short stacking energy: -245.725
Base-Backbone interact. energy: -0.239
local terms energy: -265.382784
where:
bonds (distance) C4'-P energy: -51.545
bonds (distance) P-C4' energy: -49.606
flat angles C4'-P-C4' energy: -59.021
flat angles P-C4'-P energy: -35.038
tors. eta vs tors. theta energy: -70.172
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: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -762.985850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.985850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.985850 (E_RNA)
where:
Base-Base interactions energy: -526.161
where: short stacking energy: -219.912
Base-Backbone interact. energy: -0.894
local terms energy: -235.931050
where:
bonds (distance) C4'-P energy: -41.387
bonds (distance) P-C4' energy: -53.323
flat angles C4'-P-C4' energy: -50.097
flat angles P-C4'-P energy: -31.749
tors. eta vs tors. theta energy: -59.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -750.658887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.658887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.658887 (E_RNA)
where:
Base-Base interactions energy: -505.845
where: short stacking energy: -203.556
Base-Backbone interact. energy: -1.919
local terms energy: -242.894494
where:
bonds (distance) C4'-P energy: -39.825
bonds (distance) P-C4' energy: -46.413
flat angles C4'-P-C4' energy: -51.539
flat angles P-C4'-P energy: -44.021
tors. eta vs tors. theta energy: -61.097
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: 4
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -674.408867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.408867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.408867 (E_RNA)
where:
Base-Base interactions energy: -462.624
where: short stacking energy: -196.493
Base-Backbone interact. energy: 1.843
local terms energy: -213.628677
where:
bonds (distance) C4'-P energy: -46.045
bonds (distance) P-C4' energy: -40.554
flat angles C4'-P-C4' energy: -42.578
flat angles P-C4'-P energy: -30.108
tors. eta vs tors. theta energy: -54.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -443.219527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.219527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.219527 (E_RNA)
where:
Base-Base interactions energy: -254.710
where: short stacking energy: -130.836
Base-Backbone interact. energy: 4.023
local terms energy: -192.532914
where:
bonds (distance) C4'-P energy: -46.794
bonds (distance) P-C4' energy: -53.255
flat angles C4'-P-C4' energy: -44.016
flat angles P-C4'-P energy: -25.737
tors. eta vs tors. theta energy: -22.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -293.779049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.779049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.779049 (E_RNA)
where:
Base-Base interactions energy: -130.327
where: short stacking energy: -60.009
Base-Backbone interact. energy: 0.972
local terms energy: -164.424012
where:
bonds (distance) C4'-P energy: -48.953
bonds (distance) P-C4' energy: -45.437
flat angles C4'-P-C4' energy: -35.983
flat angles P-C4'-P energy: -29.076
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -951.393276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.393276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.393276 (E_RNA)
where:
Base-Base interactions energy: -658.549
where: short stacking energy: -288.996
Base-Backbone interact. energy: -2.129
local terms energy: -290.715297
where:
bonds (distance) C4'-P energy: -55.765
bonds (distance) P-C4' energy: -47.678
flat angles C4'-P-C4' energy: -60.383
flat angles P-C4'-P energy: -38.079
tors. eta vs tors. theta energy: -88.811
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: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -945.968729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.968729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.968729 (E_RNA)
where:
Base-Base interactions energy: -664.038
where: short stacking energy: -282.412
Base-Backbone interact. energy: -2.679
local terms energy: -279.251808
where:
bonds (distance) C4'-P energy: -46.363
bonds (distance) P-C4' energy: -52.797
flat angles C4'-P-C4' energy: -54.209
flat angles P-C4'-P energy: -43.667
tors. eta vs tors. theta energy: -82.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -851.918726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.918726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.918726 (E_RNA)
where:
Base-Base interactions energy: -597.456
where: short stacking energy: -263.299
Base-Backbone interact. energy: -0.569
local terms energy: -253.894174
where:
bonds (distance) C4'-P energy: -46.621
bonds (distance) P-C4' energy: -46.429
flat angles C4'-P-C4' energy: -54.769
flat angles P-C4'-P energy: -41.192
tors. eta vs tors. theta energy: -64.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -856.245172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.245172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.245172 (E_RNA)
where:
Base-Base interactions energy: -602.023
where: short stacking energy: -254.774
Base-Backbone interact. energy: -1.459
local terms energy: -252.763016
where:
bonds (distance) C4'-P energy: -36.943
bonds (distance) P-C4' energy: -39.880
flat angles C4'-P-C4' energy: -56.101
flat angles P-C4'-P energy: -43.393
tors. eta vs tors. theta energy: -76.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -814.665299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.665299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.665299 (E_RNA)
where:
Base-Base interactions energy: -566.929
where: short stacking energy: -244.109
Base-Backbone interact. energy: -0.966
local terms energy: -246.770281
where:
bonds (distance) C4'-P energy: -36.281
bonds (distance) P-C4' energy: -46.874
flat angles C4'-P-C4' energy: -53.891
flat angles P-C4'-P energy: -40.261
tors. eta vs tors. theta energy: -69.463
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: 8
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -761.941801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.941801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.941801 (E_RNA)
where:
Base-Base interactions energy: -516.420
where: short stacking energy: -205.800
Base-Backbone interact. energy: 0.691
local terms energy: -246.212459
where:
bonds (distance) C4'-P energy: -49.911
bonds (distance) P-C4' energy: -41.100
flat angles C4'-P-C4' energy: -55.090
flat angles P-C4'-P energy: -37.413
tors. eta vs tors. theta energy: -62.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -739.842490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.842490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.842490 (E_RNA)
where:
Base-Base interactions energy: -495.654
where: short stacking energy: -207.109
Base-Backbone interact. energy: -0.363
local terms energy: -243.825958
where:
bonds (distance) C4'-P energy: -47.413
bonds (distance) P-C4' energy: -50.072
flat angles C4'-P-C4' energy: -52.298
flat angles P-C4'-P energy: -37.135
tors. eta vs tors. theta energy: -56.908
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: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -682.178345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.178345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.178345 (E_RNA)
where:
Base-Base interactions energy: -461.070
where: short stacking energy: -204.195
Base-Backbone interact. energy: 0.410
local terms energy: -221.518215
where:
bonds (distance) C4'-P energy: -42.524
bonds (distance) P-C4' energy: -40.097
flat angles C4'-P-C4' energy: -45.935
flat angles P-C4'-P energy: -33.876
tors. eta vs tors. theta energy: -59.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -429.965001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.965001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.965001 (E_RNA)
where:
Base-Base interactions energy: -261.606
where: short stacking energy: -123.606
Base-Backbone interact. energy: -1.245
local terms energy: -167.114848
where:
bonds (distance) C4'-P energy: -48.726
bonds (distance) P-C4' energy: -41.479
flat angles C4'-P-C4' energy: -45.630
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -326.808495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.808495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.808495 (E_RNA)
where:
Base-Base interactions energy: -176.376
where: short stacking energy: -99.498
Base-Backbone interact. energy: -0.366
local terms energy: -150.066547
where:
bonds (distance) C4'-P energy: -42.697
bonds (distance) P-C4' energy: -38.087
flat angles C4'-P-C4' energy: -38.460
flat angles P-C4'-P energy: -25.539
tors. eta vs tors. theta energy: -5.284
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: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -969.334773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.334773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.334773 (E_RNA)
where:
Base-Base interactions energy: -678.691
where: short stacking energy: -279.409
Base-Backbone interact. energy: -0.342
local terms energy: -290.301965
where:
bonds (distance) C4'-P energy: -55.878
bonds (distance) P-C4' energy: -52.753
flat angles C4'-P-C4' energy: -57.622
flat angles P-C4'-P energy: -37.095
tors. eta vs tors. theta energy: -86.954
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: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -942.743075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.743075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.743075 (E_RNA)
where:
Base-Base interactions energy: -649.165
where: short stacking energy: -278.679
Base-Backbone interact. energy: -0.436
local terms energy: -293.142170
where:
bonds (distance) C4'-P energy: -55.419
bonds (distance) P-C4' energy: -57.108
flat angles C4'-P-C4' energy: -57.348
flat angles P-C4'-P energy: -40.109
tors. eta vs tors. theta energy: -83.158
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: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -862.268340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.268340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.268340 (E_RNA)
where:
Base-Base interactions energy: -595.569
where: short stacking energy: -249.238
Base-Backbone interact. energy: -0.667
local terms energy: -266.031992
where:
bonds (distance) C4'-P energy: -46.105
bonds (distance) P-C4' energy: -47.272
flat angles C4'-P-C4' energy: -52.935
flat angles P-C4'-P energy: -39.538
tors. eta vs tors. theta energy: -80.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -863.631568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.631568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.631568 (E_RNA)
where:
Base-Base interactions energy: -591.908
where: short stacking energy: -265.174
Base-Backbone interact. energy: -0.625
local terms energy: -271.098335
where:
bonds (distance) C4'-P energy: -48.991
bonds (distance) P-C4' energy: -49.474
flat angles C4'-P-C4' energy: -60.004
flat angles P-C4'-P energy: -35.731
tors. eta vs tors. theta energy: -76.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -813.922903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.922903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.922903 (E_RNA)
where:
Base-Base interactions energy: -568.631
where: short stacking energy: -259.247
Base-Backbone interact. energy: 3.519
local terms energy: -248.811424
where:
bonds (distance) C4'-P energy: -47.852
bonds (distance) P-C4' energy: -44.593
flat angles C4'-P-C4' energy: -43.728
flat angles P-C4'-P energy: -42.902
tors. eta vs tors. theta energy: -69.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -775.902315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.902315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.902315 (E_RNA)
where:
Base-Base interactions energy: -545.289
where: short stacking energy: -220.180
Base-Backbone interact. energy: 0.676
local terms energy: -231.289589
where:
bonds (distance) C4'-P energy: -37.593
bonds (distance) P-C4' energy: -41.330
flat angles C4'-P-C4' energy: -57.963
flat angles P-C4'-P energy: -33.855
tors. eta vs tors. theta energy: -60.549
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: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -715.132168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.132168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.132168 (E_RNA)
where:
Base-Base interactions energy: -480.651
where: short stacking energy: -197.373
Base-Backbone interact. energy: -0.364
local terms energy: -234.117757
where:
bonds (distance) C4'-P energy: -42.604
bonds (distance) P-C4' energy: -52.200
flat angles C4'-P-C4' energy: -46.066
flat angles P-C4'-P energy: -30.970
tors. eta vs tors. theta energy: -62.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -677.309683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.309683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.309683 (E_RNA)
where:
Base-Base interactions energy: -467.350
where: short stacking energy: -191.229
Base-Backbone interact. energy: 1.651
local terms energy: -211.610430
where:
bonds (distance) C4'-P energy: -38.255
bonds (distance) P-C4' energy: -45.979
flat angles C4'-P-C4' energy: -48.603
flat angles P-C4'-P energy: -32.713
tors. eta vs tors. theta energy: -46.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -449.134862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.134862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.134862 (E_RNA)
where:
Base-Base interactions energy: -273.755
where: short stacking energy: -143.448
Base-Backbone interact. energy: -1.463
local terms energy: -173.917057
where:
bonds (distance) C4'-P energy: -29.541
bonds (distance) P-C4' energy: -43.943
flat angles C4'-P-C4' energy: -49.253
flat angles P-C4'-P energy: -23.735
tors. eta vs tors. theta energy: -27.445
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: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -356.108066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.108066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.108066 (E_RNA)
where:
Base-Base interactions energy: -187.464
where: short stacking energy: -108.912
Base-Backbone interact. energy: 1.419
local terms energy: -170.063757
where:
bonds (distance) C4'-P energy: -40.618
bonds (distance) P-C4' energy: -48.602
flat angles C4'-P-C4' energy: -33.109
flat angles P-C4'-P energy: -35.233
tors. eta vs tors. theta energy: -12.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -971.529176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.529176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.529176 (E_RNA)
where:
Base-Base interactions energy: -674.795
where: short stacking energy: -274.428
Base-Backbone interact. energy: -0.983
local terms energy: -295.750755
where:
bonds (distance) C4'-P energy: -55.547
bonds (distance) P-C4' energy: -56.020
flat angles C4'-P-C4' energy: -59.444
flat angles P-C4'-P energy: -38.061
tors. eta vs tors. theta energy: -86.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -940.133132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.133132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.133132 (E_RNA)
where:
Base-Base interactions energy: -665.159
where: short stacking energy: -284.273
Base-Backbone interact. energy: -0.817
local terms energy: -274.157225
where:
bonds (distance) C4'-P energy: -45.549
bonds (distance) P-C4' energy: -48.354
flat angles C4'-P-C4' energy: -63.080
flat angles P-C4'-P energy: -40.638
tors. eta vs tors. theta energy: -76.537
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: 6
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -899.310726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.310726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.310726 (E_RNA)
where:
Base-Base interactions energy: -614.367
where: short stacking energy: -273.505
Base-Backbone interact. energy: -2.218
local terms energy: -282.725951
where:
bonds (distance) C4'-P energy: -52.151
bonds (distance) P-C4' energy: -48.853
flat angles C4'-P-C4' energy: -61.237
flat angles P-C4'-P energy: -44.991
tors. eta vs tors. theta energy: -75.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -871.078505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.078505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.078505 (E_RNA)
where:
Base-Base interactions energy: -601.281
where: short stacking energy: -267.927
Base-Backbone interact. energy: -0.408
local terms energy: -269.389377
where:
bonds (distance) C4'-P energy: -51.211
bonds (distance) P-C4' energy: -54.249
flat angles C4'-P-C4' energy: -53.639
flat angles P-C4'-P energy: -33.771
tors. eta vs tors. theta energy: -76.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -835.576471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.576471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.576471 (E_RNA)
where:
Base-Base interactions energy: -571.169
where: short stacking energy: -253.463
Base-Backbone interact. energy: 0.025
local terms energy: -264.433130
where:
bonds (distance) C4'-P energy: -43.462
bonds (distance) P-C4' energy: -50.232
flat angles C4'-P-C4' energy: -58.966
flat angles P-C4'-P energy: -39.082
tors. eta vs tors. theta energy: -72.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -789.066387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.066387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.066387 (E_RNA)
where:
Base-Base interactions energy: -537.268
where: short stacking energy: -238.983
Base-Backbone interact. energy: -1.045
local terms energy: -250.753263
where:
bonds (distance) C4'-P energy: -46.519
bonds (distance) P-C4' energy: -48.965
flat angles C4'-P-C4' energy: -51.373
flat angles P-C4'-P energy: -40.676
tors. eta vs tors. theta energy: -63.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -737.399342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.399342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.399342 (E_RNA)
where:
Base-Base interactions energy: -517.348
where: short stacking energy: -208.203
Base-Backbone interact. energy: -0.482
local terms energy: -219.569429
where:
bonds (distance) C4'-P energy: -38.195
bonds (distance) P-C4' energy: -49.150
flat angles C4'-P-C4' energy: -51.698
flat angles P-C4'-P energy: -27.040
tors. eta vs tors. theta energy: -53.486
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: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -673.585336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.585336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.585336 (E_RNA)
where:
Base-Base interactions energy: -465.609
where: short stacking energy: -172.768
Base-Backbone interact. energy: -1.248
local terms energy: -206.729114
where:
bonds (distance) C4'-P energy: -51.119
bonds (distance) P-C4' energy: -42.297
flat angles C4'-P-C4' energy: -39.418
flat angles P-C4'-P energy: -31.515
tors. eta vs tors. theta energy: -42.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -462.185976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.185976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.185976 (E_RNA)
where:
Base-Base interactions energy: -295.407
where: short stacking energy: -138.765
Base-Backbone interact. energy: 1.587
local terms energy: -168.366637
where:
bonds (distance) C4'-P energy: -29.220
bonds (distance) P-C4' energy: -45.424
flat angles C4'-P-C4' energy: -36.351
flat angles P-C4'-P energy: -33.069
tors. eta vs tors. theta energy: -24.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -287.633428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.633428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.633428 (E_RNA)
where:
Base-Base interactions energy: -128.688
where: short stacking energy: -81.326
Base-Backbone interact. energy: -1.588
local terms energy: -157.357663
where:
bonds (distance) C4'-P energy: -24.464
bonds (distance) P-C4' energy: -53.921
flat angles C4'-P-C4' energy: -52.263
flat angles P-C4'-P energy: -22.085
tors. eta vs tors. theta energy: -4.625
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: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -958.753192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.753192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.753192 (E_RNA)
where:
Base-Base interactions energy: -656.072
where: short stacking energy: -285.795
Base-Backbone interact. energy: -0.061
local terms energy: -302.619937
where:
bonds (distance) C4'-P energy: -51.633
bonds (distance) P-C4' energy: -55.218
flat angles C4'-P-C4' energy: -60.269
flat angles P-C4'-P energy: -49.460
tors. eta vs tors. theta energy: -86.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -932.519231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.519231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.519231 (E_RNA)
where:
Base-Base interactions energy: -644.437
where: short stacking energy: -290.996
Base-Backbone interact. energy: -1.087
local terms energy: -286.995203
where:
bonds (distance) C4'-P energy: -60.015
bonds (distance) P-C4' energy: -40.537
flat angles C4'-P-C4' energy: -64.685
flat angles P-C4'-P energy: -38.847
tors. eta vs tors. theta energy: -82.912
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: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -868.458580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.458580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.458580 (E_RNA)
where:
Base-Base interactions energy: -589.874
where: short stacking energy: -247.206
Base-Backbone interact. energy: 0.045
local terms energy: -278.629586
where:
bonds (distance) C4'-P energy: -54.141
bonds (distance) P-C4' energy: -50.892
flat angles C4'-P-C4' energy: -60.113
flat angles P-C4'-P energy: -37.006
tors. eta vs tors. theta energy: -76.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -856.487803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.487803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.487803 (E_RNA)
where:
Base-Base interactions energy: -580.864
where: short stacking energy: -245.915
Base-Backbone interact. energy: -0.451
local terms energy: -275.172950
where:
bonds (distance) C4'-P energy: -41.676
bonds (distance) P-C4' energy: -53.448
flat angles C4'-P-C4' energy: -62.861
flat angles P-C4'-P energy: -39.011
tors. eta vs tors. theta energy: -78.178
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: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -810.695870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.695870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.695870 (E_RNA)
where:
Base-Base interactions energy: -556.645
where: short stacking energy: -243.631
Base-Backbone interact. energy: 0.097
local terms energy: -254.147530
where:
bonds (distance) C4'-P energy: -42.662
bonds (distance) P-C4' energy: -48.315
flat angles C4'-P-C4' energy: -53.160
flat angles P-C4'-P energy: -34.360
tors. eta vs tors. theta energy: -75.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -773.393885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.393885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.393885 (E_RNA)
where:
Base-Base interactions energy: -518.902
where: short stacking energy: -208.188
Base-Backbone interact. energy: 0.501
local terms energy: -254.992561
where:
bonds (distance) C4'-P energy: -48.934
bonds (distance) P-C4' energy: -49.000
flat angles C4'-P-C4' energy: -44.560
flat angles P-C4'-P energy: -45.800
tors. eta vs tors. theta energy: -66.699
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: 9
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -773.331252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.331252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.331252 (E_RNA)
where:
Base-Base interactions energy: -537.481
where: short stacking energy: -226.800
Base-Backbone interact. energy: 0.759
local terms energy: -236.608830
where:
bonds (distance) C4'-P energy: -51.832
bonds (distance) P-C4' energy: -38.698
flat angles C4'-P-C4' energy: -49.481
flat angles P-C4'-P energy: -33.098
tors. eta vs tors. theta energy: -63.500
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: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -715.176644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.176644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.176644 (E_RNA)
where:
Base-Base interactions energy: -496.745
where: short stacking energy: -201.917
Base-Backbone interact. energy: 2.563
local terms energy: -220.994477
where:
bonds (distance) C4'-P energy: -35.436
bonds (distance) P-C4' energy: -46.622
flat angles C4'-P-C4' energy: -52.166
flat angles P-C4'-P energy: -40.903
tors. eta vs tors. theta energy: -45.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -461.225698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.225698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.225698 (E_RNA)
where:
Base-Base interactions energy: -286.698
where: short stacking energy: -136.652
Base-Backbone interact. energy: -1.019
local terms energy: -173.508591
where:
bonds (distance) C4'-P energy: -40.919
bonds (distance) P-C4' energy: -49.389
flat angles C4'-P-C4' energy: -49.470
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -22.628
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: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -301.173996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.173996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.173996 (E_RNA)
where:
Base-Base interactions energy: -145.784
where: short stacking energy: -81.934
Base-Backbone interact. energy: 7.859
local terms energy: -163.248266
where:
bonds (distance) C4'-P energy: -49.692
bonds (distance) P-C4' energy: -48.175
flat angles C4'-P-C4' energy: -32.546
flat angles P-C4'-P energy: -33.006
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -961.275100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.275100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.275100 (E_RNA)
where:
Base-Base interactions energy: -662.798
where: short stacking energy: -284.283
Base-Backbone interact. energy: -2.043
local terms energy: -296.433367
where:
bonds (distance) C4'-P energy: -54.523
bonds (distance) P-C4' energy: -54.216
flat angles C4'-P-C4' energy: -62.063
flat angles P-C4'-P energy: -40.444
tors. eta vs tors. theta energy: -85.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -934.801339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.801339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.801339 (E_RNA)
where:
Base-Base interactions energy: -650.199
where: short stacking energy: -281.717
Base-Backbone interact. energy: -0.352
local terms energy: -284.250013
where:
bonds (distance) C4'-P energy: -46.704
bonds (distance) P-C4' energy: -56.697
flat angles C4'-P-C4' energy: -53.523
flat angles P-C4'-P energy: -45.561
tors. eta vs tors. theta energy: -81.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -875.461688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.461688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.461688 (E_RNA)
where:
Base-Base interactions energy: -598.501
where: short stacking energy: -273.909
Base-Backbone interact. energy: -0.869
local terms energy: -276.092164
where:
bonds (distance) C4'-P energy: -42.090
bonds (distance) P-C4' energy: -56.568
flat angles C4'-P-C4' energy: -60.457
flat angles P-C4'-P energy: -39.425
tors. eta vs tors. theta energy: -77.553
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: 4, replica: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -841.595480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.595480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.595480 (E_RNA)
where:
Base-Base interactions energy: -575.915
where: short stacking energy: -255.186
Base-Backbone interact. energy: -0.720
local terms energy: -264.960133
where:
bonds (distance) C4'-P energy: -48.806
bonds (distance) P-C4' energy: -50.686
flat angles C4'-P-C4' energy: -52.967
flat angles P-C4'-P energy: -35.987
tors. eta vs tors. theta energy: -76.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -790.944742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.944742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.944742 (E_RNA)
where:
Base-Base interactions energy: -529.230
where: short stacking energy: -237.510
Base-Backbone interact. energy: -0.092
local terms energy: -261.622451
where:
bonds (distance) C4'-P energy: -60.053
bonds (distance) P-C4' energy: -52.957
flat angles C4'-P-C4' energy: -50.254
flat angles P-C4'-P energy: -31.023
tors. eta vs tors. theta energy: -67.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -790.954400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.954400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.954400 (E_RNA)
where:
Base-Base interactions energy: -550.076
where: short stacking energy: -224.207
Base-Backbone interact. energy: -0.316
local terms energy: -240.562436
where:
bonds (distance) C4'-P energy: -52.529
bonds (distance) P-C4' energy: -43.552
flat angles C4'-P-C4' energy: -53.531
flat angles P-C4'-P energy: -28.316
tors. eta vs tors. theta energy: -62.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -756.748453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.748453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.748453 (E_RNA)
where:
Base-Base interactions energy: -518.956
where: short stacking energy: -206.998
Base-Backbone interact. energy: -0.831
local terms energy: -236.960890
where:
bonds (distance) C4'-P energy: -42.152
bonds (distance) P-C4' energy: -43.215
flat angles C4'-P-C4' energy: -55.169
flat angles P-C4'-P energy: -35.790
tors. eta vs tors. theta energy: -60.635
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: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -694.895085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.895085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.895085 (E_RNA)
where:
Base-Base interactions energy: -476.025
where: short stacking energy: -194.860
Base-Backbone interact. energy: -1.578
local terms energy: -217.292176
where:
bonds (distance) C4'-P energy: -47.615
bonds (distance) P-C4' energy: -44.146
flat angles C4'-P-C4' energy: -43.162
flat angles P-C4'-P energy: -34.386
tors. eta vs tors. theta energy: -47.983
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: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -452.529347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.529347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.529347 (E_RNA)
where:
Base-Base interactions energy: -287.563
where: short stacking energy: -140.152
Base-Backbone interact. energy: -1.619
local terms energy: -163.347299
where:
bonds (distance) C4'-P energy: -40.557
bonds (distance) P-C4' energy: -40.215
flat angles C4'-P-C4' energy: -39.348
flat angles P-C4'-P energy: -26.066
tors. eta vs tors. theta energy: -17.161
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: 10, replica: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -282.794701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.794701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.794701 (E_RNA)
where:
Base-Base interactions energy: -114.294
where: short stacking energy: -71.912
Base-Backbone interact. energy: -0.097
local terms energy: -168.404131
where:
bonds (distance) C4'-P energy: -37.191
bonds (distance) P-C4' energy: -57.198
flat angles C4'-P-C4' energy: -42.451
flat angles P-C4'-P energy: -28.021
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -973.297368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.297368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.297368 (E_RNA)
where:
Base-Base interactions energy: -657.955
where: short stacking energy: -297.379
Base-Backbone interact. energy: -1.691
local terms energy: -313.651392
where:
bonds (distance) C4'-P energy: -49.189
bonds (distance) P-C4' energy: -62.165
flat angles C4'-P-C4' energy: -66.573
flat angles P-C4'-P energy: -45.260
tors. eta vs tors. theta energy: -90.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -921.719483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.719483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.719483 (E_RNA)
where:
Base-Base interactions energy: -638.432
where: short stacking energy: -269.316
Base-Backbone interact. energy: -0.086
local terms energy: -283.201983
where:
bonds (distance) C4'-P energy: -48.677
bonds (distance) P-C4' energy: -53.571
flat angles C4'-P-C4' energy: -56.635
flat angles P-C4'-P energy: -40.309
tors. eta vs tors. theta energy: -84.010
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: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -866.092291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.092291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.092291 (E_RNA)
where:
Base-Base interactions energy: -602.738
where: short stacking energy: -259.989
Base-Backbone interact. energy: -0.006
local terms energy: -263.347347
where:
bonds (distance) C4'-P energy: -42.842
bonds (distance) P-C4' energy: -52.169
flat angles C4'-P-C4' energy: -58.389
flat angles P-C4'-P energy: -36.998
tors. eta vs tors. theta energy: -72.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -868.952485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.952485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.952485 (E_RNA)
where:
Base-Base interactions energy: -600.459
where: short stacking energy: -264.743
Base-Backbone interact. energy: 1.471
local terms energy: -269.964304
where:
bonds (distance) C4'-P energy: -49.040
bonds (distance) P-C4' energy: -55.120
flat angles C4'-P-C4' energy: -58.019
flat angles P-C4'-P energy: -31.945
tors. eta vs tors. theta energy: -75.841
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: 5, replica: 9
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -806.237286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.237286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.237286 (E_RNA)
where:
Base-Base interactions energy: -548.798
where: short stacking energy: -235.877
Base-Backbone interact. energy: 0.724
local terms energy: -258.162820
where:
bonds (distance) C4'-P energy: -50.464
bonds (distance) P-C4' energy: -45.755
flat angles C4'-P-C4' energy: -58.762
flat angles P-C4'-P energy: -42.521
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: 6, replica: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -798.714132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.714132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.714132 (E_RNA)
where:
Base-Base interactions energy: -546.622
where: short stacking energy: -237.410
Base-Backbone interact. energy: -0.727
local terms energy: -251.364510
where:
bonds (distance) C4'-P energy: -49.226
bonds (distance) P-C4' energy: -46.789
flat angles C4'-P-C4' energy: -53.007
flat angles P-C4'-P energy: -28.896
tors. eta vs tors. theta energy: -73.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -749.163614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.163614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.163614 (E_RNA)
where:
Base-Base interactions energy: -527.684
where: short stacking energy: -211.065
Base-Backbone interact. energy: -0.604
local terms energy: -220.875141
where:
bonds (distance) C4'-P energy: -38.549
bonds (distance) P-C4' energy: -52.773
flat angles C4'-P-C4' energy: -37.816
flat angles P-C4'-P energy: -34.669
tors. eta vs tors. theta energy: -57.068
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: 8, replica: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -701.913585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.913585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.913585 (E_RNA)
where:
Base-Base interactions energy: -479.614
where: short stacking energy: -191.881
Base-Backbone interact. energy: -0.840
local terms energy: -221.459019
where:
bonds (distance) C4'-P energy: -42.335
bonds (distance) P-C4' energy: -45.039
flat angles C4'-P-C4' energy: -50.726
flat angles P-C4'-P energy: -33.910
tors. eta vs tors. theta energy: -49.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -445.291917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.291917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.291917 (E_RNA)
where:
Base-Base interactions energy: -269.412
where: short stacking energy: -126.988
Base-Backbone interact. energy: 4.265
local terms energy: -180.145330
where:
bonds (distance) C4'-P energy: -36.883
bonds (distance) P-C4' energy: -43.298
flat angles C4'-P-C4' energy: -46.229
flat angles P-C4'-P energy: -32.954
tors. eta vs tors. theta energy: -20.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -226.286922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.286922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.286922 (E_RNA)
where:
Base-Base interactions energy: -81.559
where: short stacking energy: -63.975
Base-Backbone interact. energy: 0.527
local terms energy: -145.254720
where:
bonds (distance) C4'-P energy: -39.517
bonds (distance) P-C4' energy: -40.434
flat angles C4'-P-C4' energy: -43.003
flat angles P-C4'-P energy: -26.210
tors. eta vs tors. theta energy: 3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -946.782549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.782549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.782549 (E_RNA)
where:
Base-Base interactions energy: -655.575
where: short stacking energy: -278.473
Base-Backbone interact. energy: -0.953
local terms energy: -290.254031
where:
bonds (distance) C4'-P energy: -48.027
bonds (distance) P-C4' energy: -56.561
flat angles C4'-P-C4' energy: -58.131
flat angles P-C4'-P energy: -45.378
tors. eta vs tors. theta energy: -82.157
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: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -928.611789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.611789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.611789 (E_RNA)
where:
Base-Base interactions energy: -630.244
where: short stacking energy: -270.936
Base-Backbone interact. energy: -0.706
local terms energy: -297.661544
where:
bonds (distance) C4'-P energy: -52.156
bonds (distance) P-C4' energy: -55.845
flat angles C4'-P-C4' energy: -64.712
flat angles P-C4'-P energy: -40.097
tors. eta vs tors. theta energy: -84.852
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: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -858.640228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.640228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.640228 (E_RNA)
where:
Base-Base interactions energy: -580.895
where: short stacking energy: -262.028
Base-Backbone interact. energy: -0.549
local terms energy: -277.196704
where:
bonds (distance) C4'-P energy: -52.512
bonds (distance) P-C4' energy: -48.816
flat angles C4'-P-C4' energy: -60.354
flat angles P-C4'-P energy: -41.636
tors. eta vs tors. theta energy: -73.879
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: 6
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -865.146209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.146209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.146209 (E_RNA)
where:
Base-Base interactions energy: -597.133
where: short stacking energy: -263.144
Base-Backbone interact. energy: -0.624
local terms energy: -267.389364
where:
bonds (distance) C4'-P energy: -48.439
bonds (distance) P-C4' energy: -51.220
flat angles C4'-P-C4' energy: -53.168
flat angles P-C4'-P energy: -38.723
tors. eta vs tors. theta energy: -75.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -774.479632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.479632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.479632 (E_RNA)
where:
Base-Base interactions energy: -542.271
where: short stacking energy: -229.450
Base-Backbone interact. energy: -0.487
local terms energy: -231.721155
where:
bonds (distance) C4'-P energy: -30.699
bonds (distance) P-C4' energy: -51.091
flat angles C4'-P-C4' energy: -49.908
flat angles P-C4'-P energy: -37.704
tors. eta vs tors. theta energy: -62.320
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: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -797.520947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.520947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.520947 (E_RNA)
where:
Base-Base interactions energy: -541.355
where: short stacking energy: -234.354
Base-Backbone interact. energy: 0.380
local terms energy: -256.546031
where:
bonds (distance) C4'-P energy: -45.566
bonds (distance) P-C4' energy: -50.102
flat angles C4'-P-C4' energy: -51.331
flat angles P-C4'-P energy: -37.097
tors. eta vs tors. theta energy: -72.450
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: 133
Temperature: 1.200000
Total energy: -701.914114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.914114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.914114 (E_RNA)
where:
Base-Base interactions energy: -480.446
where: short stacking energy: -201.686
Base-Backbone interact. energy: 1.452
local terms energy: -222.919328
where:
bonds (distance) C4'-P energy: -37.489
bonds (distance) P-C4' energy: -46.607
flat angles C4'-P-C4' energy: -44.047
flat angles P-C4'-P energy: -30.559
tors. eta vs tors. theta energy: -64.216
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: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -679.528483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.528483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.528483 (E_RNA)
where:
Base-Base interactions energy: -460.711
where: short stacking energy: -205.476
Base-Backbone interact. energy: 4.189
local terms energy: -223.006522
where:
bonds (distance) C4'-P energy: -39.646
bonds (distance) P-C4' energy: -42.331
flat angles C4'-P-C4' energy: -56.627
flat angles P-C4'-P energy: -27.468
tors. eta vs tors. theta energy: -56.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -476.964615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.964615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.964615 (E_RNA)
where:
Base-Base interactions energy: -291.868
where: short stacking energy: -140.889
Base-Backbone interact. energy: -0.973
local terms energy: -184.122819
where:
bonds (distance) C4'-P energy: -34.445
bonds (distance) P-C4' energy: -37.510
flat angles C4'-P-C4' energy: -46.715
flat angles P-C4'-P energy: -27.411
tors. eta vs tors. theta energy: -38.043
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: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -258.074733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.074733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.074733 (E_RNA)
where:
Base-Base interactions energy: -110.924
where: short stacking energy: -72.574
Base-Backbone interact. energy: -0.598
local terms energy: -146.553134
where:
bonds (distance) C4'-P energy: -43.417
bonds (distance) P-C4' energy: -40.408
flat angles C4'-P-C4' energy: -39.299
flat angles P-C4'-P energy: -25.596
tors. eta vs tors. theta energy: 2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -943.955137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.955137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.955137 (E_RNA)
where:
Base-Base interactions energy: -645.254
where: short stacking energy: -280.128
Base-Backbone interact. energy: 2.285
local terms energy: -300.985708
where:
bonds (distance) C4'-P energy: -57.408
bonds (distance) P-C4' energy: -56.414
flat angles C4'-P-C4' energy: -55.200
flat angles P-C4'-P energy: -45.824
tors. eta vs tors. theta energy: -86.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -918.098072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.098072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.098072 (E_RNA)
where:
Base-Base interactions energy: -627.379
where: short stacking energy: -274.098
Base-Backbone interact. energy: -0.214
local terms energy: -290.504195
where:
bonds (distance) C4'-P energy: -48.643
bonds (distance) P-C4' energy: -52.016
flat angles C4'-P-C4' energy: -66.746
flat angles P-C4'-P energy: -39.273
tors. eta vs tors. theta energy: -83.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -882.027731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.027731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.027731 (E_RNA)
where:
Base-Base interactions energy: -598.955
where: short stacking energy: -254.588
Base-Backbone interact. energy: -0.214
local terms energy: -282.858589
where:
bonds (distance) C4'-P energy: -54.595
bonds (distance) P-C4' energy: -44.802
flat angles C4'-P-C4' energy: -62.844
flat angles P-C4'-P energy: -42.054
tors. eta vs tors. theta energy: -78.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -845.058394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.058394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.058394 (E_RNA)
where:
Base-Base interactions energy: -576.540
where: short stacking energy: -265.162
Base-Backbone interact. energy: -1.462
local terms energy: -267.057080
where:
bonds (distance) C4'-P energy: -51.390
bonds (distance) P-C4' energy: -52.462
flat angles C4'-P-C4' energy: -56.099
flat angles P-C4'-P energy: -28.770
tors. eta vs tors. theta energy: -78.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -799.277536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.277536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.277536 (E_RNA)
where:
Base-Base interactions energy: -539.296
where: short stacking energy: -239.901
Base-Backbone interact. energy: -0.886
local terms energy: -259.095630
where:
bonds (distance) C4'-P energy: -43.920
bonds (distance) P-C4' energy: -48.879
flat angles C4'-P-C4' energy: -55.876
flat angles P-C4'-P energy: -38.471
tors. eta vs tors. theta energy: -71.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -762.270979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.270979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.270979 (E_RNA)
where:
Base-Base interactions energy: -537.989
where: short stacking energy: -218.751
Base-Backbone interact. energy: 2.377
local terms energy: -226.658912
where:
bonds (distance) C4'-P energy: -46.645
bonds (distance) P-C4' energy: -47.036
flat angles C4'-P-C4' energy: -46.182
flat angles P-C4'-P energy: -29.818
tors. eta vs tors. theta energy: -56.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -738.267010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.267010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.267010 (E_RNA)
where:
Base-Base interactions energy: -496.442
where: short stacking energy: -198.177
Base-Backbone interact. energy: -0.677
local terms energy: -241.147953
where:
bonds (distance) C4'-P energy: -47.175
bonds (distance) P-C4' energy: -57.752
flat angles C4'-P-C4' energy: -45.899
flat angles P-C4'-P energy: -35.104
tors. eta vs tors. theta energy: -55.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -660.075383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.075383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.075383 (E_RNA)
where:
Base-Base interactions energy: -446.634
where: short stacking energy: -177.829
Base-Backbone interact. energy: -1.417
local terms energy: -212.024284
where:
bonds (distance) C4'-P energy: -37.339
bonds (distance) P-C4' energy: -39.676
flat angles C4'-P-C4' energy: -49.291
flat angles P-C4'-P energy: -31.772
tors. eta vs tors. theta energy: -53.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -462.604349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.604349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.604349 (E_RNA)
where:
Base-Base interactions energy: -272.866
where: short stacking energy: -133.851
Base-Backbone interact. energy: 5.170
local terms energy: -194.908185
where:
bonds (distance) C4'-P energy: -43.899
bonds (distance) P-C4' energy: -53.764
flat angles C4'-P-C4' energy: -45.037
flat angles P-C4'-P energy: -30.046
tors. eta vs tors. theta energy: -22.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -251.805273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.805273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.805273 (E_RNA)
where:
Base-Base interactions energy: -130.659
where: short stacking energy: -77.440
Base-Backbone interact. energy: -0.618
local terms energy: -120.528961
where:
bonds (distance) C4'-P energy: -37.393
bonds (distance) P-C4' energy: -39.174
flat angles C4'-P-C4' energy: -29.782
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: 1.999
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: 135
Temperature: 0.900000
Total energy: -942.474431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.474431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.474431 (E_RNA)
where:
Base-Base interactions energy: -647.666
where: short stacking energy: -282.331
Base-Backbone interact. energy: -1.449
local terms energy: -293.359413
where:
bonds (distance) C4'-P energy: -53.824
bonds (distance) P-C4' energy: -59.036
flat angles C4'-P-C4' energy: -55.347
flat angles P-C4'-P energy: -42.487
tors. eta vs tors. theta energy: -82.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -923.044165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.044165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.044165 (E_RNA)
where:
Base-Base interactions energy: -637.200
where: short stacking energy: -274.237
Base-Backbone interact. energy: -1.128
local terms energy: -284.716341
where:
bonds (distance) C4'-P energy: -45.725
bonds (distance) P-C4' energy: -56.020
flat angles C4'-P-C4' energy: -57.151
flat angles P-C4'-P energy: -40.384
tors. eta vs tors. theta energy: -85.437
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: 3, replica: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -888.803210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.803210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.803210 (E_RNA)
where:
Base-Base interactions energy: -624.570
where: short stacking energy: -272.787
Base-Backbone interact. energy: 0.371
local terms energy: -264.604068
where:
bonds (distance) C4'-P energy: -41.585
bonds (distance) P-C4' energy: -46.603
flat angles C4'-P-C4' energy: -55.553
flat angles P-C4'-P energy: -36.548
tors. eta vs tors. theta energy: -84.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -859.740028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.740028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.740028 (E_RNA)
where:
Base-Base interactions energy: -588.672
where: short stacking energy: -269.354
Base-Backbone interact. energy: 1.231
local terms energy: -272.298889
where:
bonds (distance) C4'-P energy: -41.360
bonds (distance) P-C4' energy: -52.272
flat angles C4'-P-C4' energy: -64.342
flat angles P-C4'-P energy: -37.794
tors. eta vs tors. theta energy: -76.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -816.048841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.048841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.048841 (E_RNA)
where:
Base-Base interactions energy: -551.497
where: short stacking energy: -242.963
Base-Backbone interact. energy: -1.059
local terms energy: -263.492468
where:
bonds (distance) C4'-P energy: -55.769
bonds (distance) P-C4' energy: -43.665
flat angles C4'-P-C4' energy: -58.812
flat angles P-C4'-P energy: -34.935
tors. eta vs tors. theta energy: -70.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -766.833819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.833819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.833819 (E_RNA)
where:
Base-Base interactions energy: -527.307
where: short stacking energy: -211.873
Base-Backbone interact. energy: -2.065
local terms energy: -237.462224
where:
bonds (distance) C4'-P energy: -50.687
bonds (distance) P-C4' energy: -52.179
flat angles C4'-P-C4' energy: -48.253
flat angles P-C4'-P energy: -35.815
tors. eta vs tors. theta energy: -50.529
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: 135
Temperature: 1.200000
Total energy: -728.787649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.787649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.787649 (E_RNA)
where:
Base-Base interactions energy: -492.289
where: short stacking energy: -201.528
Base-Backbone interact. energy: -0.126
local terms energy: -236.372592
where:
bonds (distance) C4'-P energy: -34.408
bonds (distance) P-C4' energy: -52.747
flat angles C4'-P-C4' energy: -56.721
flat angles P-C4'-P energy: -27.306
tors. eta vs tors. theta energy: -65.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -634.758944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.758944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.758944 (E_RNA)
where:
Base-Base interactions energy: -432.180
where: short stacking energy: -191.079
Base-Backbone interact. energy: -0.560
local terms energy: -202.019335
where:
bonds (distance) C4'-P energy: -33.724
bonds (distance) P-C4' energy: -45.881
flat angles C4'-P-C4' energy: -52.566
flat angles P-C4'-P energy: -31.110
tors. eta vs tors. theta energy: -38.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -474.184549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.184549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.184549 (E_RNA)
where:
Base-Base interactions energy: -283.362
where: short stacking energy: -134.843
Base-Backbone interact. energy: -0.662
local terms energy: -190.160378
where:
bonds (distance) C4'-P energy: -40.357
bonds (distance) P-C4' energy: -51.313
flat angles C4'-P-C4' energy: -40.270
flat angles P-C4'-P energy: -29.320
tors. eta vs tors. theta energy: -28.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -226.120011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.120011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.120011 (E_RNA)
where:
Base-Base interactions energy: -81.008
where: short stacking energy: -75.479
Base-Backbone interact. energy: 1.695
local terms energy: -146.806715
where:
bonds (distance) C4'-P energy: -50.294
bonds (distance) P-C4' energy: -39.131
flat angles C4'-P-C4' energy: -38.203
flat angles P-C4'-P energy: -19.700
tors. eta vs tors. theta energy: 0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -951.784667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.784667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.784667 (E_RNA)
where:
Base-Base interactions energy: -649.195
where: short stacking energy: -279.982
Base-Backbone interact. energy: -1.047
local terms energy: -301.542411
where:
bonds (distance) C4'-P energy: -54.917
bonds (distance) P-C4' energy: -56.329
flat angles C4'-P-C4' energy: -66.587
flat angles P-C4'-P energy: -35.056
tors. eta vs tors. theta energy: -88.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -937.924666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.924666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.924666 (E_RNA)
where:
Base-Base interactions energy: -645.087
where: short stacking energy: -279.862
Base-Backbone interact. energy: -0.774
local terms energy: -292.063941
where:
bonds (distance) C4'-P energy: -50.005
bonds (distance) P-C4' energy: -51.559
flat angles C4'-P-C4' energy: -59.976
flat angles P-C4'-P energy: -45.789
tors. eta vs tors. theta energy: -84.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -917.522642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.522642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.522642 (E_RNA)
where:
Base-Base interactions energy: -631.599
where: short stacking energy: -278.126
Base-Backbone interact. energy: 1.275
local terms energy: -287.198302
where:
bonds (distance) C4'-P energy: -52.639
bonds (distance) P-C4' energy: -58.519
flat angles C4'-P-C4' energy: -53.451
flat angles P-C4'-P energy: -39.531
tors. eta vs tors. theta energy: -83.058
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: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -856.205794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.205794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.205794 (E_RNA)
where:
Base-Base interactions energy: -593.704
where: short stacking energy: -255.532
Base-Backbone interact. energy: 1.576
local terms energy: -264.077971
where:
bonds (distance) C4'-P energy: -48.849
bonds (distance) P-C4' energy: -51.324
flat angles C4'-P-C4' energy: -60.307
flat angles P-C4'-P energy: -31.903
tors. eta vs tors. theta energy: -71.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -803.502877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.502877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.502877 (E_RNA)
where:
Base-Base interactions energy: -547.756
where: short stacking energy: -247.004
Base-Backbone interact. energy: -0.053
local terms energy: -255.693532
where:
bonds (distance) C4'-P energy: -34.576
bonds (distance) P-C4' energy: -58.153
flat angles C4'-P-C4' energy: -48.470
flat angles P-C4'-P energy: -39.801
tors. eta vs tors. theta energy: -74.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -789.737340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.737340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.737340 (E_RNA)
where:
Base-Base interactions energy: -555.938
where: short stacking energy: -243.062
Base-Backbone interact. energy: -0.769
local terms energy: -233.030429
where:
bonds (distance) C4'-P energy: -46.098
bonds (distance) P-C4' energy: -51.494
flat angles C4'-P-C4' energy: -51.691
flat angles P-C4'-P energy: -22.986
tors. eta vs tors. theta energy: -60.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -743.739627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.739627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.739627 (E_RNA)
where:
Base-Base interactions energy: -506.127
where: short stacking energy: -212.471
Base-Backbone interact. energy: 3.838
local terms energy: -241.450243
where:
bonds (distance) C4'-P energy: -50.933
bonds (distance) P-C4' energy: -47.766
flat angles C4'-P-C4' energy: -54.931
flat angles P-C4'-P energy: -30.329
tors. eta vs tors. theta energy: -57.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -675.661546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.661546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.661546 (E_RNA)
where:
Base-Base interactions energy: -481.907
where: short stacking energy: -185.773
Base-Backbone interact. energy: -0.290
local terms energy: -193.464984
where:
bonds (distance) C4'-P energy: -41.882
bonds (distance) P-C4' energy: -38.947
flat angles C4'-P-C4' energy: -34.219
flat angles P-C4'-P energy: -32.735
tors. eta vs tors. theta energy: -45.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -453.207661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.207661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.207661 (E_RNA)
where:
Base-Base interactions energy: -288.829
where: short stacking energy: -134.050
Base-Backbone interact. energy: 1.614
local terms energy: -165.993178
where:
bonds (distance) C4'-P energy: -37.177
bonds (distance) P-C4' energy: -46.352
flat angles C4'-P-C4' energy: -44.843
flat angles P-C4'-P energy: -18.678
tors. eta vs tors. theta energy: -18.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -248.839474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.839474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.839474 (E_RNA)
where:
Base-Base interactions energy: -94.293
where: short stacking energy: -78.232
Base-Backbone interact. energy: 1.991
local terms energy: -156.538045
where:
bonds (distance) C4'-P energy: -42.262
bonds (distance) P-C4' energy: -46.861
flat angles C4'-P-C4' energy: -40.157
flat angles P-C4'-P energy: -19.887
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -946.067672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.067672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.067672 (E_RNA)
where:
Base-Base interactions energy: -668.665
where: short stacking energy: -299.267
Base-Backbone interact. energy: -1.482
local terms energy: -275.920304
where:
bonds (distance) C4'-P energy: -42.602
bonds (distance) P-C4' energy: -51.615
flat angles C4'-P-C4' energy: -58.153
flat angles P-C4'-P energy: -41.683
tors. eta vs tors. theta energy: -81.868
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: 6
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -948.811225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.811225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.811225 (E_RNA)
where:
Base-Base interactions energy: -648.951
where: short stacking energy: -289.002
Base-Backbone interact. energy: -0.850
local terms energy: -299.009971
where:
bonds (distance) C4'-P energy: -54.118
bonds (distance) P-C4' energy: -57.369
flat angles C4'-P-C4' energy: -57.557
flat angles P-C4'-P energy: -47.596
tors. eta vs tors. theta energy: -82.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -914.171317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.171317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.171317 (E_RNA)
where:
Base-Base interactions energy: -628.374
where: short stacking energy: -282.459
Base-Backbone interact. energy: 0.106
local terms energy: -285.903825
where:
bonds (distance) C4'-P energy: -53.568
bonds (distance) P-C4' energy: -52.731
flat angles C4'-P-C4' energy: -61.610
flat angles P-C4'-P energy: -34.421
tors. eta vs tors. theta energy: -83.573
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: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -859.320593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.320593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.320593 (E_RNA)
where:
Base-Base interactions energy: -583.933
where: short stacking energy: -268.464
Base-Backbone interact. energy: 0.060
local terms energy: -275.447050
where:
bonds (distance) C4'-P energy: -53.442
bonds (distance) P-C4' energy: -46.543
flat angles C4'-P-C4' energy: -55.724
flat angles P-C4'-P energy: -40.778
tors. eta vs tors. theta energy: -78.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -806.869610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.869610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.869610 (E_RNA)
where:
Base-Base interactions energy: -539.648
where: short stacking energy: -231.604
Base-Backbone interact. energy: -0.712
local terms energy: -266.508823
where:
bonds (distance) C4'-P energy: -43.855
bonds (distance) P-C4' energy: -56.624
flat angles C4'-P-C4' energy: -61.187
flat angles P-C4'-P energy: -36.219
tors. eta vs tors. theta energy: -68.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -769.652880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.652880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.652880 (E_RNA)
where:
Base-Base interactions energy: -538.616
where: short stacking energy: -215.654
Base-Backbone interact. energy: -0.234
local terms energy: -230.803048
where:
bonds (distance) C4'-P energy: -53.230
bonds (distance) P-C4' energy: -37.975
flat angles C4'-P-C4' energy: -55.257
flat angles P-C4'-P energy: -35.269
tors. eta vs tors. theta energy: -49.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -698.921440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.921440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.921440 (E_RNA)
where:
Base-Base interactions energy: -472.898
where: short stacking energy: -189.147
Base-Backbone interact. energy: -0.270
local terms energy: -225.753409
where:
bonds (distance) C4'-P energy: -47.473
bonds (distance) P-C4' energy: -41.184
flat angles C4'-P-C4' energy: -52.129
flat angles P-C4'-P energy: -35.977
tors. eta vs tors. theta energy: -48.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -687.734280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.734280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.734280 (E_RNA)
where:
Base-Base interactions energy: -473.337
where: short stacking energy: -192.474
Base-Backbone interact. energy: 0.844
local terms energy: -215.241061
where:
bonds (distance) C4'-P energy: -37.361
bonds (distance) P-C4' energy: -43.056
flat angles C4'-P-C4' energy: -48.948
flat angles P-C4'-P energy: -32.539
tors. eta vs tors. theta energy: -53.336
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: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -434.991018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.991018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.991018 (E_RNA)
where:
Base-Base interactions energy: -256.066
where: short stacking energy: -125.159
Base-Backbone interact. energy: 0.064
local terms energy: -178.989085
where:
bonds (distance) C4'-P energy: -37.323
bonds (distance) P-C4' energy: -50.178
flat angles C4'-P-C4' energy: -40.922
flat angles P-C4'-P energy: -31.791
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -221.414047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.414047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.414047 (E_RNA)
where:
Base-Base interactions energy: -87.932
where: short stacking energy: -53.048
Base-Backbone interact. energy: -1.053
local terms energy: -132.429388
where:
bonds (distance) C4'-P energy: -35.322
bonds (distance) P-C4' energy: -41.897
flat angles C4'-P-C4' energy: -42.310
flat angles P-C4'-P energy: -26.054
tors. eta vs tors. theta energy: 13.154
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: 6
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -948.706188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.706188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.706188 (E_RNA)
where:
Base-Base interactions energy: -648.268
where: short stacking energy: -290.160
Base-Backbone interact. energy: -1.881
local terms energy: -298.557469
where:
bonds (distance) C4'-P energy: -48.765
bonds (distance) P-C4' energy: -56.825
flat angles C4'-P-C4' energy: -65.101
flat angles P-C4'-P energy: -36.153
tors. eta vs tors. theta energy: -91.714
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: 2, replica: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -927.170112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.170112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.170112 (E_RNA)
where:
Base-Base interactions energy: -634.541
where: short stacking energy: -287.218
Base-Backbone interact. energy: -0.718
local terms energy: -291.910670
where:
bonds (distance) C4'-P energy: -44.017
bonds (distance) P-C4' energy: -50.914
flat angles C4'-P-C4' energy: -62.592
flat angles P-C4'-P energy: -46.335
tors. eta vs tors. theta energy: -88.054
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: 3, replica: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -920.495900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.495900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.495900 (E_RNA)
where:
Base-Base interactions energy: -650.229
where: short stacking energy: -276.318
Base-Backbone interact. energy: 0.174
local terms energy: -270.440662
where:
bonds (distance) C4'-P energy: -43.837
bonds (distance) P-C4' energy: -53.978
flat angles C4'-P-C4' energy: -53.209
flat angles P-C4'-P energy: -43.688
tors. eta vs tors. theta energy: -75.729
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: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -854.734497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.734497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.734497 (E_RNA)
where:
Base-Base interactions energy: -578.173
where: short stacking energy: -253.014
Base-Backbone interact. energy: -0.380
local terms energy: -276.181420
where:
bonds (distance) C4'-P energy: -62.184
bonds (distance) P-C4' energy: -51.408
flat angles C4'-P-C4' energy: -55.017
flat angles P-C4'-P energy: -31.228
tors. eta vs tors. theta energy: -76.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -825.250464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.250464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.250464 (E_RNA)
where:
Base-Base interactions energy: -550.426
where: short stacking energy: -226.956
Base-Backbone interact. energy: -0.689
local terms energy: -274.135815
where:
bonds (distance) C4'-P energy: -51.779
bonds (distance) P-C4' energy: -59.599
flat angles C4'-P-C4' energy: -53.274
flat angles P-C4'-P energy: -37.840
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: 6, replica: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -757.480301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.480301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.480301 (E_RNA)
where:
Base-Base interactions energy: -516.966
where: short stacking energy: -205.899
Base-Backbone interact. energy: -0.754
local terms energy: -239.759356
where:
bonds (distance) C4'-P energy: -48.313
bonds (distance) P-C4' energy: -41.076
flat angles C4'-P-C4' energy: -59.545
flat angles P-C4'-P energy: -42.522
tors. eta vs tors. theta energy: -48.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -697.057060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.057060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.057060 (E_RNA)
where:
Base-Base interactions energy: -492.310
where: short stacking energy: -202.751
Base-Backbone interact. energy: -1.099
local terms energy: -203.648078
where:
bonds (distance) C4'-P energy: -43.369
bonds (distance) P-C4' energy: -42.998
flat angles C4'-P-C4' energy: -39.339
flat angles P-C4'-P energy: -33.705
tors. eta vs tors. theta energy: -44.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -700.378417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.378417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.378417 (E_RNA)
where:
Base-Base interactions energy: -493.510
where: short stacking energy: -191.279
Base-Backbone interact. energy: -1.339
local terms energy: -205.529449
where:
bonds (distance) C4'-P energy: -38.104
bonds (distance) P-C4' energy: -47.962
flat angles C4'-P-C4' energy: -44.175
flat angles P-C4'-P energy: -30.394
tors. eta vs tors. theta energy: -44.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -479.277712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.277712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.277712 (E_RNA)
where:
Base-Base interactions energy: -288.144
where: short stacking energy: -139.675
Base-Backbone interact. energy: 1.524
local terms energy: -192.657394
where:
bonds (distance) C4'-P energy: -38.544
bonds (distance) P-C4' energy: -44.235
flat angles C4'-P-C4' energy: -49.163
flat angles P-C4'-P energy: -29.663
tors. eta vs tors. theta energy: -31.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -228.854622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.854622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.854622 (E_RNA)
where:
Base-Base interactions energy: -80.211
where: short stacking energy: -47.595
Base-Backbone interact. energy: -0.186
local terms energy: -148.457503
where:
bonds (distance) C4'-P energy: -48.423
bonds (distance) P-C4' energy: -54.352
flat angles C4'-P-C4' energy: -40.605
flat angles P-C4'-P energy: -26.375
tors. eta vs tors. theta energy: 21.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -928.404328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.404328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.404328 (E_RNA)
where:
Base-Base interactions energy: -635.740
where: short stacking energy: -276.044
Base-Backbone interact. energy: -0.949
local terms energy: -291.715559
where:
bonds (distance) C4'-P energy: -47.219
bonds (distance) P-C4' energy: -59.129
flat angles C4'-P-C4' energy: -58.853
flat angles P-C4'-P energy: -46.184
tors. eta vs tors. theta energy: -80.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -936.354656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.354656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.354656 (E_RNA)
where:
Base-Base interactions energy: -646.247
where: short stacking energy: -279.058
Base-Backbone interact. energy: -0.422
local terms energy: -289.686055
where:
bonds (distance) C4'-P energy: -51.206
bonds (distance) P-C4' energy: -46.537
flat angles C4'-P-C4' energy: -61.556
flat angles P-C4'-P energy: -46.663
tors. eta vs tors. theta energy: -83.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -899.273220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.273220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.273220 (E_RNA)
where:
Base-Base interactions energy: -619.474
where: short stacking energy: -262.123
Base-Backbone interact. energy: -0.998
local terms energy: -278.801509
where:
bonds (distance) C4'-P energy: -54.739
bonds (distance) P-C4' energy: -49.378
flat angles C4'-P-C4' energy: -58.180
flat angles P-C4'-P energy: -38.794
tors. eta vs tors. theta energy: -77.710
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: 5
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -837.528996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.528996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.528996 (E_RNA)
where:
Base-Base interactions energy: -565.689
where: short stacking energy: -245.550
Base-Backbone interact. energy: -1.037
local terms energy: -270.803625
where:
bonds (distance) C4'-P energy: -47.231
bonds (distance) P-C4' energy: -56.776
flat angles C4'-P-C4' energy: -51.236
flat angles P-C4'-P energy: -39.864
tors. eta vs tors. theta energy: -75.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -824.349373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.349373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.349373 (E_RNA)
where:
Base-Base interactions energy: -564.887
where: short stacking energy: -252.391
Base-Backbone interact. energy: -1.113
local terms energy: -258.348855
where:
bonds (distance) C4'-P energy: -37.767
bonds (distance) P-C4' energy: -54.322
flat angles C4'-P-C4' energy: -57.117
flat angles P-C4'-P energy: -34.800
tors. eta vs tors. theta energy: -74.343
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: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -788.310957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.310957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.310957 (E_RNA)
where:
Base-Base interactions energy: -540.948
where: short stacking energy: -226.946
Base-Backbone interact. energy: 2.745
local terms energy: -250.107857
where:
bonds (distance) C4'-P energy: -33.478
bonds (distance) P-C4' energy: -50.343
flat angles C4'-P-C4' energy: -53.558
flat angles P-C4'-P energy: -45.327
tors. eta vs tors. theta energy: -67.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -706.171855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.171855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.171855 (E_RNA)
where:
Base-Base interactions energy: -485.923
where: short stacking energy: -208.837
Base-Backbone interact. energy: 0.618
local terms energy: -220.867300
where:
bonds (distance) C4'-P energy: -40.483
bonds (distance) P-C4' energy: -49.321
flat angles C4'-P-C4' energy: -52.151
flat angles P-C4'-P energy: -30.591
tors. eta vs tors. theta energy: -48.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -713.039347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.039347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.039347 (E_RNA)
where:
Base-Base interactions energy: -491.544
where: short stacking energy: -210.498
Base-Backbone interact. energy: -0.673
local terms energy: -220.821845
where:
bonds (distance) C4'-P energy: -44.517
bonds (distance) P-C4' energy: -42.144
flat angles C4'-P-C4' energy: -48.327
flat angles P-C4'-P energy: -28.913
tors. eta vs tors. theta energy: -56.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -442.700814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.700814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.700814 (E_RNA)
where:
Base-Base interactions energy: -274.765
where: short stacking energy: -147.403
Base-Backbone interact. energy: 1.933
local terms energy: -169.869526
where:
bonds (distance) C4'-P energy: -32.961
bonds (distance) P-C4' energy: -42.067
flat angles C4'-P-C4' energy: -43.682
flat angles P-C4'-P energy: -24.460
tors. eta vs tors. theta energy: -26.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -248.253257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.253257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.253257 (E_RNA)
where:
Base-Base interactions energy: -92.577
where: short stacking energy: -76.290
Base-Backbone interact. energy: 0.022
local terms energy: -155.697702
where:
bonds (distance) C4'-P energy: -46.539
bonds (distance) P-C4' energy: -57.842
flat angles C4'-P-C4' energy: -37.889
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: 9.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -949.665754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.665754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.665754 (E_RNA)
where:
Base-Base interactions energy: -659.583
where: short stacking energy: -298.162
Base-Backbone interact. energy: -1.196
local terms energy: -288.886669
where:
bonds (distance) C4'-P energy: -48.651
bonds (distance) P-C4' energy: -51.005
flat angles C4'-P-C4' energy: -56.047
flat angles P-C4'-P energy: -41.788
tors. eta vs tors. theta energy: -91.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -923.915630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.915630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.915630 (E_RNA)
where:
Base-Base interactions energy: -660.302
where: short stacking energy: -295.538
Base-Backbone interact. energy: -0.717
local terms energy: -262.896634
where:
bonds (distance) C4'-P energy: -38.542
bonds (distance) P-C4' energy: -48.422
flat angles C4'-P-C4' energy: -59.096
flat angles P-C4'-P energy: -35.740
tors. eta vs tors. theta energy: -81.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -935.672228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.672228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.672228 (E_RNA)
where:
Base-Base interactions energy: -652.858
where: short stacking energy: -275.981
Base-Backbone interact. energy: -0.225
local terms energy: -282.589447
where:
bonds (distance) C4'-P energy: -48.968
bonds (distance) P-C4' energy: -48.864
flat angles C4'-P-C4' energy: -63.708
flat angles P-C4'-P energy: -42.088
tors. eta vs tors. theta energy: -78.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -855.425776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.425776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.425776 (E_RNA)
where:
Base-Base interactions energy: -611.287
where: short stacking energy: -254.420
Base-Backbone interact. energy: -0.576
local terms energy: -243.563160
where:
bonds (distance) C4'-P energy: -35.818
bonds (distance) P-C4' energy: -34.297
flat angles C4'-P-C4' energy: -52.643
flat angles P-C4'-P energy: -42.711
tors. eta vs tors. theta energy: -78.094
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: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -818.188771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.188771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.188771 (E_RNA)
where:
Base-Base interactions energy: -574.022
where: short stacking energy: -254.599
Base-Backbone interact. energy: -2.044
local terms energy: -242.123012
where:
bonds (distance) C4'-P energy: -32.739
bonds (distance) P-C4' energy: -40.291
flat angles C4'-P-C4' energy: -58.816
flat angles P-C4'-P energy: -32.378
tors. eta vs tors. theta energy: -77.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -769.303181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.303181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.303181 (E_RNA)
where:
Base-Base interactions energy: -525.597
where: short stacking energy: -221.030
Base-Backbone interact. energy: -0.961
local terms energy: -242.744934
where:
bonds (distance) C4'-P energy: -47.749
bonds (distance) P-C4' energy: -47.569
flat angles C4'-P-C4' energy: -55.385
flat angles P-C4'-P energy: -34.972
tors. eta vs tors. theta energy: -57.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -740.341451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.341451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.341451 (E_RNA)
where:
Base-Base interactions energy: -523.355
where: short stacking energy: -220.848
Base-Backbone interact. energy: -1.399
local terms energy: -215.587474
where:
bonds (distance) C4'-P energy: -41.062
bonds (distance) P-C4' energy: -44.915
flat angles C4'-P-C4' energy: -47.860
flat angles P-C4'-P energy: -25.875
tors. eta vs tors. theta energy: -55.876
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: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -720.945092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.945092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.945092 (E_RNA)
where:
Base-Base interactions energy: -488.765
where: short stacking energy: -206.392
Base-Backbone interact. energy: -0.295
local terms energy: -231.884309
where:
bonds (distance) C4'-P energy: -42.286
bonds (distance) P-C4' energy: -51.781
flat angles C4'-P-C4' energy: -49.383
flat angles P-C4'-P energy: -34.824
tors. eta vs tors. theta energy: -53.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -438.429069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.429069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.429069 (E_RNA)
where:
Base-Base interactions energy: -265.034
where: short stacking energy: -109.446
Base-Backbone interact. energy: -1.431
local terms energy: -171.963656
where:
bonds (distance) C4'-P energy: -40.390
bonds (distance) P-C4' energy: -39.507
flat angles C4'-P-C4' energy: -47.346
flat angles P-C4'-P energy: -23.001
tors. eta vs tors. theta energy: -21.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -228.479966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.479966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.479966 (E_RNA)
where:
Base-Base interactions energy: -89.780
where: short stacking energy: -79.155
Base-Backbone interact. energy: 0.335
local terms energy: -139.035101
where:
bonds (distance) C4'-P energy: -40.268
bonds (distance) P-C4' energy: -34.629
flat angles C4'-P-C4' energy: -40.161
flat angles P-C4'-P energy: -26.556
tors. eta vs tors. theta energy: 2.579
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: 6
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -936.548101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.548101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.548101 (E_RNA)
where:
Base-Base interactions energy: -641.507
where: short stacking energy: -286.351
Base-Backbone interact. energy: 0.507
local terms energy: -295.547551
where:
bonds (distance) C4'-P energy: -51.932
bonds (distance) P-C4' energy: -57.628
flat angles C4'-P-C4' energy: -61.520
flat angles P-C4'-P energy: -42.637
tors. eta vs tors. theta energy: -81.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -923.955984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.955984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.955984 (E_RNA)
where:
Base-Base interactions energy: -635.571
where: short stacking energy: -271.144
Base-Backbone interact. energy: 1.594
local terms energy: -289.979062
where:
bonds (distance) C4'-P energy: -51.830
bonds (distance) P-C4' energy: -54.876
flat angles C4'-P-C4' energy: -57.436
flat angles P-C4'-P energy: -46.130
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: 141
Temperature: 1.000000
Total energy: -929.486532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.486532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.486532 (E_RNA)
where:
Base-Base interactions energy: -655.093
where: short stacking energy: -277.597
Base-Backbone interact. energy: 1.385
local terms energy: -275.778536
where:
bonds (distance) C4'-P energy: -52.730
bonds (distance) P-C4' energy: -46.164
flat angles C4'-P-C4' energy: -55.093
flat angles P-C4'-P energy: -42.055
tors. eta vs tors. theta energy: -79.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -825.588924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.588924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.588924 (E_RNA)
where:
Base-Base interactions energy: -566.285
where: short stacking energy: -226.086
Base-Backbone interact. energy: -1.479
local terms energy: -257.824575
where:
bonds (distance) C4'-P energy: -41.472
bonds (distance) P-C4' energy: -58.057
flat angles C4'-P-C4' energy: -45.376
flat angles P-C4'-P energy: -38.606
tors. eta vs tors. theta energy: -74.314
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: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -816.963337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.963337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.963337 (E_RNA)
where:
Base-Base interactions energy: -558.177
where: short stacking energy: -238.830
Base-Backbone interact. energy: -0.504
local terms energy: -258.282197
where:
bonds (distance) C4'-P energy: -48.563
bonds (distance) P-C4' energy: -47.441
flat angles C4'-P-C4' energy: -53.538
flat angles P-C4'-P energy: -41.339
tors. eta vs tors. theta energy: -67.401
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: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -792.669826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.669826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.669826 (E_RNA)
where:
Base-Base interactions energy: -549.543
where: short stacking energy: -223.549
Base-Backbone interact. energy: -0.963
local terms energy: -242.164262
where:
bonds (distance) C4'-P energy: -51.080
bonds (distance) P-C4' energy: -46.921
flat angles C4'-P-C4' energy: -58.388
flat angles P-C4'-P energy: -22.884
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: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -712.570425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.570425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.570425 (E_RNA)
where:
Base-Base interactions energy: -501.824
where: short stacking energy: -191.328
Base-Backbone interact. energy: 0.560
local terms energy: -211.307359
where:
bonds (distance) C4'-P energy: -38.985
bonds (distance) P-C4' energy: -51.635
flat angles C4'-P-C4' energy: -42.395
flat angles P-C4'-P energy: -30.229
tors. eta vs tors. theta energy: -48.063
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: 8
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -690.011448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.011448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.011448 (E_RNA)
where:
Base-Base interactions energy: -468.855
where: short stacking energy: -169.056
Base-Backbone interact. energy: -0.662
local terms energy: -220.494318
where:
bonds (distance) C4'-P energy: -39.432
bonds (distance) P-C4' energy: -50.053
flat angles C4'-P-C4' energy: -53.065
flat angles P-C4'-P energy: -36.872
tors. eta vs tors. theta energy: -41.073
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: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -445.930112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.930112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.930112 (E_RNA)
where:
Base-Base interactions energy: -272.255
where: short stacking energy: -120.537
Base-Backbone interact. energy: -0.363
local terms energy: -173.312001
where:
bonds (distance) C4'-P energy: -53.576
bonds (distance) P-C4' energy: -47.305
flat angles C4'-P-C4' energy: -39.163
flat angles P-C4'-P energy: -23.216
tors. eta vs tors. theta energy: -10.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -218.287673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.287673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.287673 (E_RNA)
where:
Base-Base interactions energy: -77.338
where: short stacking energy: -60.583
Base-Backbone interact. energy: -1.611
local terms energy: -139.338332
where:
bonds (distance) C4'-P energy: -46.290
bonds (distance) P-C4' energy: -56.667
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -19.130
tors. eta vs tors. theta energy: 5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -942.646039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.646039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.646039 (E_RNA)
where:
Base-Base interactions energy: -644.418
where: short stacking energy: -289.091
Base-Backbone interact. energy: -0.512
local terms energy: -297.716367
where:
bonds (distance) C4'-P energy: -49.350
bonds (distance) P-C4' energy: -55.512
flat angles C4'-P-C4' energy: -62.583
flat angles P-C4'-P energy: -42.708
tors. eta vs tors. theta energy: -87.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -911.710084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.710084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.710084 (E_RNA)
where:
Base-Base interactions energy: -629.738
where: short stacking energy: -263.550
Base-Backbone interact. energy: 3.764
local terms energy: -285.736180
where:
bonds (distance) C4'-P energy: -47.720
bonds (distance) P-C4' energy: -50.118
flat angles C4'-P-C4' energy: -59.247
flat angles P-C4'-P energy: -47.330
tors. eta vs tors. theta energy: -81.321
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: 3, replica: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -915.333302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.333302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.333302 (E_RNA)
where:
Base-Base interactions energy: -634.736
where: short stacking energy: -264.085
Base-Backbone interact. energy: -1.016
local terms energy: -279.581931
where:
bonds (distance) C4'-P energy: -49.182
bonds (distance) P-C4' energy: -54.485
flat angles C4'-P-C4' energy: -50.619
flat angles P-C4'-P energy: -43.235
tors. eta vs tors. theta energy: -82.060
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: 142
Temperature: 1.050000
Total energy: -827.327094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.327094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.327094 (E_RNA)
where:
Base-Base interactions energy: -586.143
where: short stacking energy: -244.473
Base-Backbone interact. energy: 3.143
local terms energy: -244.326658
where:
bonds (distance) C4'-P energy: -38.594
bonds (distance) P-C4' energy: -49.936
flat angles C4'-P-C4' energy: -54.760
flat angles P-C4'-P energy: -36.544
tors. eta vs tors. theta energy: -64.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -832.487846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.487846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.487846 (E_RNA)
where:
Base-Base interactions energy: -561.233
where: short stacking energy: -254.895
Base-Backbone interact. energy: -0.708
local terms energy: -270.547092
where:
bonds (distance) C4'-P energy: -56.403
bonds (distance) P-C4' energy: -39.822
flat angles C4'-P-C4' energy: -61.620
flat angles P-C4'-P energy: -42.507
tors. eta vs tors. theta energy: -70.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -753.757586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.757586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.757586 (E_RNA)
where:
Base-Base interactions energy: -531.984
where: short stacking energy: -205.987
Base-Backbone interact. energy: -1.232
local terms energy: -220.541106
where:
bonds (distance) C4'-P energy: -37.526
bonds (distance) P-C4' energy: -47.656
flat angles C4'-P-C4' energy: -45.743
flat angles P-C4'-P energy: -27.764
tors. eta vs tors. theta energy: -61.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -716.178940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.178940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.178940 (E_RNA)
where:
Base-Base interactions energy: -510.319
where: short stacking energy: -195.257
Base-Backbone interact. energy: -1.266
local terms energy: -204.594532
where:
bonds (distance) C4'-P energy: -33.470
bonds (distance) P-C4' energy: -48.093
flat angles C4'-P-C4' energy: -55.209
flat angles P-C4'-P energy: -25.494
tors. eta vs tors. theta energy: -42.328
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: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -688.652031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.652031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.652031 (E_RNA)
where:
Base-Base interactions energy: -463.409
where: short stacking energy: -181.756
Base-Backbone interact. energy: -0.278
local terms energy: -224.965557
where:
bonds (distance) C4'-P energy: -47.266
bonds (distance) P-C4' energy: -47.720
flat angles C4'-P-C4' energy: -46.867
flat angles P-C4'-P energy: -34.156
tors. eta vs tors. theta energy: -48.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -460.177316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.177316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.177316 (E_RNA)
where:
Base-Base interactions energy: -278.758
where: short stacking energy: -131.553
Base-Backbone interact. energy: -0.323
local terms energy: -181.096339
where:
bonds (distance) C4'-P energy: -37.410
bonds (distance) P-C4' energy: -52.552
flat angles C4'-P-C4' energy: -40.605
flat angles P-C4'-P energy: -29.312
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -226.462925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.462925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.462925 (E_RNA)
where:
Base-Base interactions energy: -82.390
where: short stacking energy: -47.514
Base-Backbone interact. energy: -0.582
local terms energy: -143.490956
where:
bonds (distance) C4'-P energy: -50.995
bonds (distance) P-C4' energy: -47.365
flat angles C4'-P-C4' energy: -37.369
flat angles P-C4'-P energy: -22.068
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: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -947.683157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.683157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.683157 (E_RNA)
where:
Base-Base interactions energy: -657.932
where: short stacking energy: -297.773
Base-Backbone interact. energy: -1.478
local terms energy: -288.272670
where:
bonds (distance) C4'-P energy: -50.853
bonds (distance) P-C4' energy: -51.748
flat angles C4'-P-C4' energy: -53.805
flat angles P-C4'-P energy: -46.596
tors. eta vs tors. theta energy: -85.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -937.219466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.219466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.219466 (E_RNA)
where:
Base-Base interactions energy: -645.032
where: short stacking energy: -298.100
Base-Backbone interact. energy: -0.326
local terms energy: -291.862274
where:
bonds (distance) C4'-P energy: -58.402
bonds (distance) P-C4' energy: -51.317
flat angles C4'-P-C4' energy: -59.280
flat angles P-C4'-P energy: -40.691
tors. eta vs tors. theta energy: -82.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -890.944227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.944227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.944227 (E_RNA)
where:
Base-Base interactions energy: -621.896
where: short stacking energy: -276.588
Base-Backbone interact. energy: 3.210
local terms energy: -272.257829
where:
bonds (distance) C4'-P energy: -49.547
bonds (distance) P-C4' energy: -50.250
flat angles C4'-P-C4' energy: -57.092
flat angles P-C4'-P energy: -33.302
tors. eta vs tors. theta energy: -82.068
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: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -845.838749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.838749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.838749 (E_RNA)
where:
Base-Base interactions energy: -586.097
where: short stacking energy: -262.238
Base-Backbone interact. energy: -0.360
local terms energy: -259.381673
where:
bonds (distance) C4'-P energy: -51.777
bonds (distance) P-C4' energy: -49.963
flat angles C4'-P-C4' energy: -54.593
flat angles P-C4'-P energy: -31.075
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: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -821.737194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.737194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.737194 (E_RNA)
where:
Base-Base interactions energy: -564.251
where: short stacking energy: -232.947
Base-Backbone interact. energy: -0.246
local terms energy: -257.239800
where:
bonds (distance) C4'-P energy: -50.739
bonds (distance) P-C4' energy: -50.786
flat angles C4'-P-C4' energy: -56.068
flat angles P-C4'-P energy: -30.938
tors. eta vs tors. theta energy: -68.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -749.720467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.720467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.720467 (E_RNA)
where:
Base-Base interactions energy: -509.101
where: short stacking energy: -222.777
Base-Backbone interact. energy: 0.043
local terms energy: -240.662681
where:
bonds (distance) C4'-P energy: -42.136
bonds (distance) P-C4' energy: -50.650
flat angles C4'-P-C4' energy: -45.413
flat angles P-C4'-P energy: -38.563
tors. eta vs tors. theta energy: -63.901
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: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -741.657495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.657495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.657495 (E_RNA)
where:
Base-Base interactions energy: -521.696
where: short stacking energy: -210.017
Base-Backbone interact. energy: 1.725
local terms energy: -221.686118
where:
bonds (distance) C4'-P energy: -42.254
bonds (distance) P-C4' energy: -46.810
flat angles C4'-P-C4' energy: -41.365
flat angles P-C4'-P energy: -34.480
tors. eta vs tors. theta energy: -56.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -687.643722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.643722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.643722 (E_RNA)
where:
Base-Base interactions energy: -479.378
where: short stacking energy: -197.308
Base-Backbone interact. energy: -0.313
local terms energy: -207.952817
where:
bonds (distance) C4'-P energy: -33.982
bonds (distance) P-C4' energy: -53.688
flat angles C4'-P-C4' energy: -52.782
flat angles P-C4'-P energy: -23.911
tors. eta vs tors. theta energy: -43.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -453.145049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.145049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.145049 (E_RNA)
where:
Base-Base interactions energy: -280.173
where: short stacking energy: -116.940
Base-Backbone interact. energy: -0.418
local terms energy: -172.554652
where:
bonds (distance) C4'-P energy: -37.299
bonds (distance) P-C4' energy: -42.095
flat angles C4'-P-C4' energy: -48.659
flat angles P-C4'-P energy: -26.870
tors. eta vs tors. theta energy: -17.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -227.294028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.294028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.294028 (E_RNA)
where:
Base-Base interactions energy: -91.747
where: short stacking energy: -77.591
Base-Backbone interact. energy: 1.606
local terms energy: -137.153675
where:
bonds (distance) C4'-P energy: -48.933
bonds (distance) P-C4' energy: -45.963
flat angles C4'-P-C4' energy: -31.987
flat angles P-C4'-P energy: -20.267
tors. eta vs tors. theta energy: 9.996
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: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -955.705664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.705664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.705664 (E_RNA)
where:
Base-Base interactions energy: -663.982
where: short stacking energy: -286.218
Base-Backbone interact. energy: -0.743
local terms energy: -290.980682
where:
bonds (distance) C4'-P energy: -51.244
bonds (distance) P-C4' energy: -53.133
flat angles C4'-P-C4' energy: -57.578
flat angles P-C4'-P energy: -44.214
tors. eta vs tors. theta energy: -84.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -949.498567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.498567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.498567 (E_RNA)
where:
Base-Base interactions energy: -652.284
where: short stacking energy: -288.440
Base-Backbone interact. energy: -1.088
local terms energy: -296.126628
where:
bonds (distance) C4'-P energy: -52.273
bonds (distance) P-C4' energy: -47.491
flat angles C4'-P-C4' energy: -58.182
flat angles P-C4'-P energy: -45.354
tors. eta vs tors. theta energy: -92.827
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: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -887.266176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.266176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.266176 (E_RNA)
where:
Base-Base interactions energy: -617.959
where: short stacking energy: -272.192
Base-Backbone interact. energy: -1.047
local terms energy: -268.260058
where:
bonds (distance) C4'-P energy: -44.087
bonds (distance) P-C4' energy: -52.899
flat angles C4'-P-C4' energy: -58.304
flat angles P-C4'-P energy: -32.395
tors. eta vs tors. theta energy: -80.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -853.828059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.828059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.828059 (E_RNA)
where:
Base-Base interactions energy: -571.134
where: short stacking energy: -251.638
Base-Backbone interact. energy: -0.555
local terms energy: -282.139818
where:
bonds (distance) C4'-P energy: -52.362
bonds (distance) P-C4' energy: -51.072
flat angles C4'-P-C4' energy: -61.602
flat angles P-C4'-P energy: -40.704
tors. eta vs tors. theta energy: -76.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -799.828725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.828725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.828725 (E_RNA)
where:
Base-Base interactions energy: -555.972
where: short stacking energy: -233.790
Base-Backbone interact. energy: 0.355
local terms energy: -244.211022
where:
bonds (distance) C4'-P energy: -33.478
bonds (distance) P-C4' energy: -52.108
flat angles C4'-P-C4' energy: -54.133
flat angles P-C4'-P energy: -37.004
tors. eta vs tors. theta energy: -67.488
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: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -747.692743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.692743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.692743 (E_RNA)
where:
Base-Base interactions energy: -510.691
where: short stacking energy: -218.173
Base-Backbone interact. energy: -1.785
local terms energy: -235.216645
where:
bonds (distance) C4'-P energy: -47.557
bonds (distance) P-C4' energy: -42.193
flat angles C4'-P-C4' energy: -51.348
flat angles P-C4'-P energy: -33.270
tors. eta vs tors. theta energy: -60.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -731.494061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.494061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.494061 (E_RNA)
where:
Base-Base interactions energy: -511.295
where: short stacking energy: -208.591
Base-Backbone interact. energy: -0.149
local terms energy: -220.049683
where:
bonds (distance) C4'-P energy: -44.856
bonds (distance) P-C4' energy: -35.379
flat angles C4'-P-C4' energy: -49.414
flat angles P-C4'-P energy: -34.760
tors. eta vs tors. theta energy: -55.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -713.071084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.071084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.071084 (E_RNA)
where:
Base-Base interactions energy: -483.484
where: short stacking energy: -196.107
Base-Backbone interact. energy: -0.395
local terms energy: -229.192520
where:
bonds (distance) C4'-P energy: -52.528
bonds (distance) P-C4' energy: -54.819
flat angles C4'-P-C4' energy: -54.610
flat angles P-C4'-P energy: -23.498
tors. eta vs tors. theta energy: -43.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -468.917143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.917143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.917143 (E_RNA)
where:
Base-Base interactions energy: -289.757
where: short stacking energy: -124.878
Base-Backbone interact. energy: -1.213
local terms energy: -177.946989
where:
bonds (distance) C4'-P energy: -37.377
bonds (distance) P-C4' energy: -45.533
flat angles C4'-P-C4' energy: -33.422
flat angles P-C4'-P energy: -37.355
tors. eta vs tors. theta energy: -24.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -214.315551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.315551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.315551 (E_RNA)
where:
Base-Base interactions energy: -82.463
where: short stacking energy: -67.586
Base-Backbone interact. energy: -0.722
local terms energy: -131.130108
where:
bonds (distance) C4'-P energy: -34.124
bonds (distance) P-C4' energy: -48.647
flat angles C4'-P-C4' energy: -25.111
flat angles P-C4'-P energy: -21.068
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: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -952.320275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.320275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.320275 (E_RNA)
where:
Base-Base interactions energy: -664.091
where: short stacking energy: -283.806
Base-Backbone interact. energy: -0.784
local terms energy: -287.445579
where:
bonds (distance) C4'-P energy: -38.762
bonds (distance) P-C4' energy: -58.227
flat angles C4'-P-C4' energy: -59.722
flat angles P-C4'-P energy: -39.990
tors. eta vs tors. theta energy: -90.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -925.126930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.126930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.126930 (E_RNA)
where:
Base-Base interactions energy: -635.652
where: short stacking energy: -274.592
Base-Backbone interact. energy: -0.357
local terms energy: -289.117868
where:
bonds (distance) C4'-P energy: -57.742
bonds (distance) P-C4' energy: -48.663
flat angles C4'-P-C4' energy: -58.385
flat angles P-C4'-P energy: -42.671
tors. eta vs tors. theta energy: -81.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -884.467565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.467565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.467565 (E_RNA)
where:
Base-Base interactions energy: -600.072
where: short stacking energy: -275.132
Base-Backbone interact. energy: 1.598
local terms energy: -285.993227
where:
bonds (distance) C4'-P energy: -57.652
bonds (distance) P-C4' energy: -51.109
flat angles C4'-P-C4' energy: -60.141
flat angles P-C4'-P energy: -34.940
tors. eta vs tors. theta energy: -82.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -851.382837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.382837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.382837 (E_RNA)
where:
Base-Base interactions energy: -567.990
where: short stacking energy: -250.055
Base-Backbone interact. energy: -0.232
local terms energy: -283.160559
where:
bonds (distance) C4'-P energy: -49.470
bonds (distance) P-C4' energy: -52.600
flat angles C4'-P-C4' energy: -58.196
flat angles P-C4'-P energy: -47.000
tors. eta vs tors. theta energy: -75.895
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: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -800.660570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.660570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.660570 (E_RNA)
where:
Base-Base interactions energy: -549.098
where: short stacking energy: -225.297
Base-Backbone interact. energy: -0.061
local terms energy: -251.501571
where:
bonds (distance) C4'-P energy: -45.926
bonds (distance) P-C4' energy: -45.753
flat angles C4'-P-C4' energy: -54.541
flat angles P-C4'-P energy: -35.354
tors. eta vs tors. theta energy: -69.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -724.666604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.666604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.666604 (E_RNA)
where:
Base-Base interactions energy: -492.843
where: short stacking energy: -214.734
Base-Backbone interact. energy: 0.184
local terms energy: -232.008205
where:
bonds (distance) C4'-P energy: -31.483
bonds (distance) P-C4' energy: -52.262
flat angles C4'-P-C4' energy: -52.265
flat angles P-C4'-P energy: -37.971
tors. eta vs tors. theta energy: -58.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -764.249994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.249994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.249994 (E_RNA)
where:
Base-Base interactions energy: -523.198
where: short stacking energy: -240.551
Base-Backbone interact. energy: 0.324
local terms energy: -241.376427
where:
bonds (distance) C4'-P energy: -49.308
bonds (distance) P-C4' energy: -49.623
flat angles C4'-P-C4' energy: -49.055
flat angles P-C4'-P energy: -29.595
tors. eta vs tors. theta energy: -63.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -703.267142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.267142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.267142 (E_RNA)
where:
Base-Base interactions energy: -487.691
where: short stacking energy: -217.139
Base-Backbone interact. energy: 0.968
local terms energy: -216.543808
where:
bonds (distance) C4'-P energy: -46.223
bonds (distance) P-C4' energy: -46.180
flat angles C4'-P-C4' energy: -46.531
flat angles P-C4'-P energy: -19.403
tors. eta vs tors. theta energy: -58.207
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: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -483.487595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.487595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.487595 (E_RNA)
where:
Base-Base interactions energy: -275.040
where: short stacking energy: -134.313
Base-Backbone interact. energy: -0.266
local terms energy: -208.181447
where:
bonds (distance) C4'-P energy: -39.594
bonds (distance) P-C4' energy: -50.177
flat angles C4'-P-C4' energy: -43.273
flat angles P-C4'-P energy: -36.743
tors. eta vs tors. theta energy: -38.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -221.108269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.108269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.108269 (E_RNA)
where:
Base-Base interactions energy: -69.643
where: short stacking energy: -54.906
Base-Backbone interact. energy: -0.958
local terms energy: -150.507546
where:
bonds (distance) C4'-P energy: -41.052
bonds (distance) P-C4' energy: -51.189
flat angles C4'-P-C4' energy: -38.930
flat angles P-C4'-P energy: -24.880
tors. eta vs tors. theta energy: 5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -943.388673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.388673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.388673 (E_RNA)
where:
Base-Base interactions energy: -656.774
where: short stacking energy: -285.134
Base-Backbone interact. energy: -0.938
local terms energy: -285.677007
where:
bonds (distance) C4'-P energy: -43.823
bonds (distance) P-C4' energy: -57.097
flat angles C4'-P-C4' energy: -64.996
flat angles P-C4'-P energy: -34.501
tors. eta vs tors. theta energy: -85.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -939.086643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.086643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.086643 (E_RNA)
where:
Base-Base interactions energy: -642.184
where: short stacking energy: -286.963
Base-Backbone interact. energy: 1.119
local terms energy: -298.021577
where:
bonds (distance) C4'-P energy: -54.136
bonds (distance) P-C4' energy: -50.991
flat angles C4'-P-C4' energy: -59.766
flat angles P-C4'-P energy: -46.391
tors. eta vs tors. theta energy: -86.737
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: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -870.594485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.594485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.594485 (E_RNA)
where:
Base-Base interactions energy: -597.471
where: short stacking energy: -269.470
Base-Backbone interact. energy: -0.101
local terms energy: -273.021935
where:
bonds (distance) C4'-P energy: -44.117
bonds (distance) P-C4' energy: -46.522
flat angles C4'-P-C4' energy: -57.925
flat angles P-C4'-P energy: -44.100
tors. eta vs tors. theta energy: -80.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -853.130598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.130598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.130598 (E_RNA)
where:
Base-Base interactions energy: -582.742
where: short stacking energy: -252.091
Base-Backbone interact. energy: -1.009
local terms energy: -269.379557
where:
bonds (distance) C4'-P energy: -40.251
bonds (distance) P-C4' energy: -56.034
flat angles C4'-P-C4' energy: -59.743
flat angles P-C4'-P energy: -36.846
tors. eta vs tors. theta energy: -76.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -799.242152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.242152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.242152 (E_RNA)
where:
Base-Base interactions energy: -543.880
where: short stacking energy: -231.314
Base-Backbone interact. energy: -1.267
local terms energy: -254.094976
where:
bonds (distance) C4'-P energy: -50.081
bonds (distance) P-C4' energy: -46.307
flat angles C4'-P-C4' energy: -47.686
flat angles P-C4'-P energy: -37.436
tors. eta vs tors. theta energy: -72.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -729.561044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.561044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.561044 (E_RNA)
where:
Base-Base interactions energy: -521.643
where: short stacking energy: -215.160
Base-Backbone interact. energy: 1.078
local terms energy: -208.996715
where:
bonds (distance) C4'-P energy: -43.931
bonds (distance) P-C4' energy: -46.251
flat angles C4'-P-C4' energy: -36.792
flat angles P-C4'-P energy: -31.490
tors. eta vs tors. theta energy: -50.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -737.459591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.459591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.459591 (E_RNA)
where:
Base-Base interactions energy: -488.701
where: short stacking energy: -220.437
Base-Backbone interact. energy: -0.303
local terms energy: -248.454943
where:
bonds (distance) C4'-P energy: -43.451
bonds (distance) P-C4' energy: -54.398
flat angles C4'-P-C4' energy: -53.038
flat angles P-C4'-P energy: -34.511
tors. eta vs tors. theta energy: -63.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -659.916619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.916619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.916619 (E_RNA)
where:
Base-Base interactions energy: -432.900
where: short stacking energy: -173.459
Base-Backbone interact. energy: -0.522
local terms energy: -226.494262
where:
bonds (distance) C4'-P energy: -40.891
bonds (distance) P-C4' energy: -53.131
flat angles C4'-P-C4' energy: -51.575
flat angles P-C4'-P energy: -36.082
tors. eta vs tors. theta energy: -44.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -453.977097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.977097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.977097 (E_RNA)
where:
Base-Base interactions energy: -284.496
where: short stacking energy: -128.582
Base-Backbone interact. energy: -0.814
local terms energy: -168.667660
where:
bonds (distance) C4'-P energy: -43.823
bonds (distance) P-C4' energy: -32.816
flat angles C4'-P-C4' energy: -41.563
flat angles P-C4'-P energy: -23.415
tors. eta vs tors. theta energy: -27.051
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: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -219.314696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.314696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.314696 (E_RNA)
where:
Base-Base interactions energy: -80.122
where: short stacking energy: -73.620
Base-Backbone interact. energy: -0.780
local terms energy: -138.412693
where:
bonds (distance) C4'-P energy: -35.966
bonds (distance) P-C4' energy: -39.111
flat angles C4'-P-C4' energy: -45.978
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -5.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -953.613054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.613054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.613054 (E_RNA)
where:
Base-Base interactions energy: -644.974
where: short stacking energy: -284.492
Base-Backbone interact. energy: -1.602
local terms energy: -307.037604
where:
bonds (distance) C4'-P energy: -58.990
bonds (distance) P-C4' energy: -56.195
flat angles C4'-P-C4' energy: -62.161
flat angles P-C4'-P energy: -45.312
tors. eta vs tors. theta energy: -84.380
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: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -935.229726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.229726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.229726 (E_RNA)
where:
Base-Base interactions energy: -649.581
where: short stacking energy: -287.385
Base-Backbone interact. energy: -0.662
local terms energy: -284.986793
where:
bonds (distance) C4'-P energy: -44.983
bonds (distance) P-C4' energy: -50.109
flat angles C4'-P-C4' energy: -65.755
flat angles P-C4'-P energy: -38.638
tors. eta vs tors. theta energy: -85.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -862.129954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.129954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.129954 (E_RNA)
where:
Base-Base interactions energy: -590.244
where: short stacking energy: -261.411
Base-Backbone interact. energy: 3.596
local terms energy: -275.481962
where:
bonds (distance) C4'-P energy: -52.080
bonds (distance) P-C4' energy: -47.800
flat angles C4'-P-C4' energy: -58.254
flat angles P-C4'-P energy: -39.677
tors. eta vs tors. theta energy: -77.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -850.426228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.426228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.426228 (E_RNA)
where:
Base-Base interactions energy: -589.661
where: short stacking energy: -251.843
Base-Backbone interact. energy: -1.338
local terms energy: -259.427693
where:
bonds (distance) C4'-P energy: -51.897
bonds (distance) P-C4' energy: -40.650
flat angles C4'-P-C4' energy: -57.024
flat angles P-C4'-P energy: -35.966
tors. eta vs tors. theta energy: -73.891
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: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -788.770864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.770864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.770864 (E_RNA)
where:
Base-Base interactions energy: -547.545
where: short stacking energy: -210.113
Base-Backbone interact. energy: -0.269
local terms energy: -240.956931
where:
bonds (distance) C4'-P energy: -44.576
bonds (distance) P-C4' energy: -48.959
flat angles C4'-P-C4' energy: -50.568
flat angles P-C4'-P energy: -37.080
tors. eta vs tors. theta energy: -59.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -759.050592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.050592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.050592 (E_RNA)
where:
Base-Base interactions energy: -506.177
where: short stacking energy: -213.900
Base-Backbone interact. energy: -0.624
local terms energy: -252.250312
where:
bonds (distance) C4'-P energy: -38.038
bonds (distance) P-C4' energy: -53.277
flat angles C4'-P-C4' energy: -57.966
flat angles P-C4'-P energy: -38.680
tors. eta vs tors. theta energy: -64.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -702.102971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.102971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.102971 (E_RNA)
where:
Base-Base interactions energy: -476.724
where: short stacking energy: -189.784
Base-Backbone interact. energy: -0.577
local terms energy: -224.802159
where:
bonds (distance) C4'-P energy: -36.805
bonds (distance) P-C4' energy: -50.370
flat angles C4'-P-C4' energy: -58.450
flat angles P-C4'-P energy: -31.192
tors. eta vs tors. theta energy: -47.986
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: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -620.616006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.616006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.616006 (E_RNA)
where:
Base-Base interactions energy: -435.394
where: short stacking energy: -176.222
Base-Backbone interact. energy: -0.494
local terms energy: -184.728163
where:
bonds (distance) C4'-P energy: -36.578
bonds (distance) P-C4' energy: -43.522
flat angles C4'-P-C4' energy: -43.784
flat angles P-C4'-P energy: -26.925
tors. eta vs tors. theta energy: -33.919
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: 9, replica: 7
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -496.411293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.411293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.411293 (E_RNA)
where:
Base-Base interactions energy: -319.887
where: short stacking energy: -147.007
Base-Backbone interact. energy: 1.556
local terms energy: -178.079959
where:
bonds (distance) C4'-P energy: -39.228
bonds (distance) P-C4' energy: -40.310
flat angles C4'-P-C4' energy: -36.823
flat angles P-C4'-P energy: -32.666
tors. eta vs tors. theta energy: -29.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -228.915654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.915654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.915654 (E_RNA)
where:
Base-Base interactions energy: -88.184
where: short stacking energy: -55.678
Base-Backbone interact. energy: 0.476
local terms energy: -141.207260
where:
bonds (distance) C4'-P energy: -47.842
bonds (distance) P-C4' energy: -41.109
flat angles C4'-P-C4' energy: -31.830
flat angles P-C4'-P energy: -24.350
tors. eta vs tors. theta energy: 3.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -945.298079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.298079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.298079 (E_RNA)
where:
Base-Base interactions energy: -631.575
where: short stacking energy: -274.957
Base-Backbone interact. energy: -1.756
local terms energy: -311.967075
where:
bonds (distance) C4'-P energy: -55.685
bonds (distance) P-C4' energy: -65.501
flat angles C4'-P-C4' energy: -61.310
flat angles P-C4'-P energy: -47.525
tors. eta vs tors. theta energy: -81.946
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: 148
Temperature: 0.950000
Total energy: -937.289280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.289280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.289280 (E_RNA)
where:
Base-Base interactions energy: -657.781
where: short stacking energy: -296.298
Base-Backbone interact. energy: -0.805
local terms energy: -278.703913
where:
bonds (distance) C4'-P energy: -39.382
bonds (distance) P-C4' energy: -55.460
flat angles C4'-P-C4' energy: -57.309
flat angles P-C4'-P energy: -38.455
tors. eta vs tors. theta energy: -88.098
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: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -883.295484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.295484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.295484 (E_RNA)
where:
Base-Base interactions energy: -610.025
where: short stacking energy: -277.353
Base-Backbone interact. energy: -1.363
local terms energy: -271.907546
where:
bonds (distance) C4'-P energy: -52.128
bonds (distance) P-C4' energy: -47.884
flat angles C4'-P-C4' energy: -49.970
flat angles P-C4'-P energy: -44.107
tors. eta vs tors. theta energy: -77.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -876.810855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.810855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.810855 (E_RNA)
where:
Base-Base interactions energy: -606.752
where: short stacking energy: -262.676
Base-Backbone interact. energy: -1.359
local terms energy: -268.699963
where:
bonds (distance) C4'-P energy: -49.223
bonds (distance) P-C4' energy: -47.587
flat angles C4'-P-C4' energy: -55.463
flat angles P-C4'-P energy: -35.231
tors. eta vs tors. theta energy: -81.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -783.477897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.477897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.477897 (E_RNA)
where:
Base-Base interactions energy: -512.338
where: short stacking energy: -216.725
Base-Backbone interact. energy: -0.674
local terms energy: -270.465271
where:
bonds (distance) C4'-P energy: -49.626
bonds (distance) P-C4' energy: -53.289
flat angles C4'-P-C4' energy: -51.118
flat angles P-C4'-P energy: -44.293
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: 6, replica: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -763.750772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.750772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.750772 (E_RNA)
where:
Base-Base interactions energy: -515.651
where: short stacking energy: -202.886
Base-Backbone interact. energy: -0.153
local terms energy: -247.946710
where:
bonds (distance) C4'-P energy: -46.826
bonds (distance) P-C4' energy: -40.004
flat angles C4'-P-C4' energy: -58.597
flat angles P-C4'-P energy: -37.122
tors. eta vs tors. theta energy: -65.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -717.040298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.040298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.040298 (E_RNA)
where:
Base-Base interactions energy: -492.065
where: short stacking energy: -194.824
Base-Backbone interact. energy: -0.550
local terms energy: -224.425043
where:
bonds (distance) C4'-P energy: -53.412
bonds (distance) P-C4' energy: -41.447
flat angles C4'-P-C4' energy: -43.712
flat angles P-C4'-P energy: -28.942
tors. eta vs tors. theta energy: -56.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -589.368657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.368657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.368657 (E_RNA)
where:
Base-Base interactions energy: -383.900
where: short stacking energy: -163.534
Base-Backbone interact. energy: 1.112
local terms energy: -206.581010
where:
bonds (distance) C4'-P energy: -42.781
bonds (distance) P-C4' energy: -42.722
flat angles C4'-P-C4' energy: -57.735
flat angles P-C4'-P energy: -27.065
tors. eta vs tors. theta energy: -36.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -490.641961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.641961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.641961 (E_RNA)
where:
Base-Base interactions energy: -285.494
where: short stacking energy: -129.010
Base-Backbone interact. energy: -0.059
local terms energy: -205.089500
where:
bonds (distance) C4'-P energy: -44.034
bonds (distance) P-C4' energy: -48.888
flat angles C4'-P-C4' energy: -45.567
flat angles P-C4'-P energy: -33.885
tors. eta vs tors. theta energy: -32.715
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: 148
Temperature: 1.350000
Total energy: -226.016379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.016379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.016379 (E_RNA)
where:
Base-Base interactions energy: -91.163
where: short stacking energy: -72.679
Base-Backbone interact. energy: -0.853
local terms energy: -134.000192
where:
bonds (distance) C4'-P energy: -46.904
bonds (distance) P-C4' energy: -36.118
flat angles C4'-P-C4' energy: -23.699
flat angles P-C4'-P energy: -25.404
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -933.579727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.579727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.579727 (E_RNA)
where:
Base-Base interactions energy: -652.593
where: short stacking energy: -289.290
Base-Backbone interact. energy: -0.441
local terms energy: -280.545109
where:
bonds (distance) C4'-P energy: -45.087
bonds (distance) P-C4' energy: -54.882
flat angles C4'-P-C4' energy: -56.198
flat angles P-C4'-P energy: -44.273
tors. eta vs tors. theta energy: -80.105
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: 2, replica: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -937.344323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.344323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.344323 (E_RNA)
where:
Base-Base interactions energy: -646.087
where: short stacking energy: -287.678
Base-Backbone interact. energy: -0.728
local terms energy: -290.528998
where:
bonds (distance) C4'-P energy: -50.683
bonds (distance) P-C4' energy: -51.531
flat angles C4'-P-C4' energy: -58.658
flat angles P-C4'-P energy: -40.789
tors. eta vs tors. theta energy: -88.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -883.461339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.461339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.461339 (E_RNA)
where:
Base-Base interactions energy: -602.165
where: short stacking energy: -270.289
Base-Backbone interact. energy: -0.653
local terms energy: -280.642892
where:
bonds (distance) C4'-P energy: -50.447
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -57.036
flat angles P-C4'-P energy: -44.849
tors. eta vs tors. theta energy: -78.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -861.879080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.879080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.879080 (E_RNA)
where:
Base-Base interactions energy: -590.754
where: short stacking energy: -247.030
Base-Backbone interact. energy: -1.181
local terms energy: -269.943862
where:
bonds (distance) C4'-P energy: -46.317
bonds (distance) P-C4' energy: -47.566
flat angles C4'-P-C4' energy: -56.041
flat angles P-C4'-P energy: -46.075
tors. eta vs tors. theta energy: -73.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -829.110129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.110129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.110129 (E_RNA)
where:
Base-Base interactions energy: -560.283
where: short stacking energy: -254.181
Base-Backbone interact. energy: -0.641
local terms energy: -268.185664
where:
bonds (distance) C4'-P energy: -47.073
bonds (distance) P-C4' energy: -45.744
flat angles C4'-P-C4' energy: -57.955
flat angles P-C4'-P energy: -36.307
tors. eta vs tors. theta energy: -81.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -744.759702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.759702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.759702 (E_RNA)
where:
Base-Base interactions energy: -511.193
where: short stacking energy: -213.276
Base-Backbone interact. energy: -1.285
local terms energy: -232.281628
where:
bonds (distance) C4'-P energy: -50.828
bonds (distance) P-C4' energy: -51.126
flat angles C4'-P-C4' energy: -44.700
flat angles P-C4'-P energy: -33.158
tors. eta vs tors. theta energy: -52.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -749.720994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.720994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.720994 (E_RNA)
where:
Base-Base interactions energy: -518.074
where: short stacking energy: -223.864
Base-Backbone interact. energy: -0.286
local terms energy: -231.361518
where:
bonds (distance) C4'-P energy: -39.292
bonds (distance) P-C4' energy: -45.375
flat angles C4'-P-C4' energy: -54.362
flat angles P-C4'-P energy: -28.654
tors. eta vs tors. theta energy: -63.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -539.250920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.250920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.250920 (E_RNA)
where:
Base-Base interactions energy: -349.768
where: short stacking energy: -160.034
Base-Backbone interact. energy: 0.255
local terms energy: -189.737368
where:
bonds (distance) C4'-P energy: -48.361
bonds (distance) P-C4' energy: -47.044
flat angles C4'-P-C4' energy: -40.730
flat angles P-C4'-P energy: -19.383
tors. eta vs tors. theta energy: -34.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -516.325075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.325075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.325075 (E_RNA)
where:
Base-Base interactions energy: -317.016
where: short stacking energy: -138.347
Base-Backbone interact. energy: -0.465
local terms energy: -198.844994
where:
bonds (distance) C4'-P energy: -31.295
bonds (distance) P-C4' energy: -53.553
flat angles C4'-P-C4' energy: -49.014
flat angles P-C4'-P energy: -32.454
tors. eta vs tors. theta energy: -32.528
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: 149
Temperature: 1.350000
Total energy: -227.376811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.376811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.376811 (E_RNA)
where:
Base-Base interactions energy: -86.323
where: short stacking energy: -60.287
Base-Backbone interact. energy: 1.280
local terms energy: -142.334125
where:
bonds (distance) C4'-P energy: -35.761
bonds (distance) P-C4' energy: -45.077
flat angles C4'-P-C4' energy: -44.471
flat angles P-C4'-P energy: -28.738
tors. eta vs tors. theta energy: 11.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -955.834640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.834640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.834640 (E_RNA)
where:
Base-Base interactions energy: -663.165
where: short stacking energy: -299.241
Base-Backbone interact. energy: -2.183
local terms energy: -290.486417
where:
bonds (distance) C4'-P energy: -47.194
bonds (distance) P-C4' energy: -48.453
flat angles C4'-P-C4' energy: -60.046
flat angles P-C4'-P energy: -43.095
tors. eta vs tors. theta energy: -91.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -924.302817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.302817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.302817 (E_RNA)
where:
Base-Base interactions energy: -634.658
where: short stacking energy: -263.744
Base-Backbone interact. energy: -0.222
local terms energy: -289.422192
where:
bonds (distance) C4'-P energy: -59.215
bonds (distance) P-C4' energy: -45.875
flat angles C4'-P-C4' energy: -65.434
flat angles P-C4'-P energy: -45.226
tors. eta vs tors. theta energy: -73.672
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: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -890.231450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.231450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.231450 (E_RNA)
where:
Base-Base interactions energy: -610.606
where: short stacking energy: -266.593
Base-Backbone interact. energy: 3.165
local terms energy: -282.790345
where:
bonds (distance) C4'-P energy: -57.295
bonds (distance) P-C4' energy: -45.547
flat angles C4'-P-C4' energy: -59.146
flat angles P-C4'-P energy: -42.713
tors. eta vs tors. theta energy: -78.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -827.892919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.892919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.892919 (E_RNA)
where:
Base-Base interactions energy: -559.187
where: short stacking energy: -252.029
Base-Backbone interact. energy: -0.203
local terms energy: -268.503270
where:
bonds (distance) C4'-P energy: -55.035
bonds (distance) P-C4' energy: -52.015
flat angles C4'-P-C4' energy: -53.582
flat angles P-C4'-P energy: -40.002
tors. eta vs tors. theta energy: -67.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -760.287657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.287657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.287657 (E_RNA)
where:
Base-Base interactions energy: -520.582
where: short stacking energy: -212.908
Base-Backbone interact. energy: -0.363
local terms energy: -239.343009
where:
bonds (distance) C4'-P energy: -44.899
bonds (distance) P-C4' energy: -47.831
flat angles C4'-P-C4' energy: -58.904
flat angles P-C4'-P energy: -34.328
tors. eta vs tors. theta energy: -53.381
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: 6, replica: 9
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -755.354948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.354948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.354948 (E_RNA)
where:
Base-Base interactions energy: -507.256
where: short stacking energy: -216.655
Base-Backbone interact. energy: 0.673
local terms energy: -248.771891
where:
bonds (distance) C4'-P energy: -51.410
bonds (distance) P-C4' energy: -52.619
flat angles C4'-P-C4' energy: -45.114
flat angles P-C4'-P energy: -40.313
tors. eta vs tors. theta energy: -59.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -710.937725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.937725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.937725 (E_RNA)
where:
Base-Base interactions energy: -482.368
where: short stacking energy: -199.079
Base-Backbone interact. energy: -1.328
local terms energy: -227.241710
where:
bonds (distance) C4'-P energy: -40.972
bonds (distance) P-C4' energy: -41.982
flat angles C4'-P-C4' energy: -52.560
flat angles P-C4'-P energy: -39.730
tors. eta vs tors. theta energy: -51.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -541.580665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.580665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.580665 (E_RNA)
where:
Base-Base interactions energy: -344.472
where: short stacking energy: -174.854
Base-Backbone interact. energy: -0.481
local terms energy: -196.627655
where:
bonds (distance) C4'-P energy: -39.248
bonds (distance) P-C4' energy: -43.358
flat angles C4'-P-C4' energy: -40.604
flat angles P-C4'-P energy: -31.320
tors. eta vs tors. theta energy: -42.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -525.711287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.711287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.711287 (E_RNA)
where:
Base-Base interactions energy: -322.572
where: short stacking energy: -160.422
Base-Backbone interact. energy: -2.193
local terms energy: -200.946201
where:
bonds (distance) C4'-P energy: -44.058
bonds (distance) P-C4' energy: -49.692
flat angles C4'-P-C4' energy: -48.214
flat angles P-C4'-P energy: -21.771
tors. eta vs tors. theta energy: -37.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -216.805694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.805694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.805694 (E_RNA)
where:
Base-Base interactions energy: -75.124
where: short stacking energy: -66.658
Base-Backbone interact. energy: -0.620
local terms energy: -141.061408
where:
bonds (distance) C4'-P energy: -46.408
bonds (distance) P-C4' energy: -48.204
flat angles C4'-P-C4' energy: -38.181
flat angles P-C4'-P energy: -18.175
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: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -957.554603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.554603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.554603 (E_RNA)
where:
Base-Base interactions energy: -654.556
where: short stacking energy: -288.133
Base-Backbone interact. energy: -1.203
local terms energy: -301.796160
where:
bonds (distance) C4'-P energy: -58.049
bonds (distance) P-C4' energy: -54.926
flat angles C4'-P-C4' energy: -60.797
flat angles P-C4'-P energy: -39.221
tors. eta vs tors. theta energy: -88.803
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: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -900.534676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.534676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.534676 (E_RNA)
where:
Base-Base interactions energy: -606.363
where: short stacking energy: -255.881
Base-Backbone interact. energy: -1.169
local terms energy: -293.001981
where:
bonds (distance) C4'-P energy: -48.431
bonds (distance) P-C4' energy: -61.302
flat angles C4'-P-C4' energy: -59.340
flat angles P-C4'-P energy: -42.685
tors. eta vs tors. theta energy: -81.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -892.444822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.444822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.444822 (E_RNA)
where:
Base-Base interactions energy: -615.184
where: short stacking energy: -270.307
Base-Backbone interact. energy: -0.817
local terms energy: -276.443545
where:
bonds (distance) C4'-P energy: -52.371
bonds (distance) P-C4' energy: -51.377
flat angles C4'-P-C4' energy: -54.699
flat angles P-C4'-P energy: -41.576
tors. eta vs tors. theta energy: -76.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -857.561676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.561676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.561676 (E_RNA)
where:
Base-Base interactions energy: -603.497
where: short stacking energy: -276.087
Base-Backbone interact. energy: -0.327
local terms energy: -253.737748
where:
bonds (distance) C4'-P energy: -51.554
bonds (distance) P-C4' energy: -41.572
flat angles C4'-P-C4' energy: -56.384
flat angles P-C4'-P energy: -31.999
tors. eta vs tors. theta energy: -72.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -791.113450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.113450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.113450 (E_RNA)
where:
Base-Base interactions energy: -560.181
where: short stacking energy: -248.880
Base-Backbone interact. energy: -0.183
local terms energy: -230.750252
where:
bonds (distance) C4'-P energy: -37.812
bonds (distance) P-C4' energy: -42.668
flat angles C4'-P-C4' energy: -60.973
flat angles P-C4'-P energy: -22.995
tors. eta vs tors. theta energy: -66.302
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: 9
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -744.128823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.128823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.128823 (E_RNA)
where:
Base-Base interactions energy: -494.647
where: short stacking energy: -224.077
Base-Backbone interact. energy: -0.273
local terms energy: -249.208723
where:
bonds (distance) C4'-P energy: -44.307
bonds (distance) P-C4' energy: -55.734
flat angles C4'-P-C4' energy: -50.358
flat angles P-C4'-P energy: -38.813
tors. eta vs tors. theta energy: -59.997
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: 5
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -750.877987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.877987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.877987 (E_RNA)
where:
Base-Base interactions energy: -519.439
where: short stacking energy: -207.482
Base-Backbone interact. energy: -1.033
local terms energy: -230.406298
where:
bonds (distance) C4'-P energy: -46.039
bonds (distance) P-C4' energy: -47.182
flat angles C4'-P-C4' energy: -49.448
flat angles P-C4'-P energy: -31.003
tors. eta vs tors. theta energy: -56.734
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: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -545.910452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.910452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.910452 (E_RNA)
where:
Base-Base interactions energy: -338.050
where: short stacking energy: -173.843
Base-Backbone interact. energy: 1.075
local terms energy: -208.936414
where:
bonds (distance) C4'-P energy: -46.750
bonds (distance) P-C4' energy: -51.282
flat angles C4'-P-C4' energy: -47.591
flat angles P-C4'-P energy: -21.324
tors. eta vs tors. theta energy: -41.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -463.107611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.107611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.107611 (E_RNA)
where:
Base-Base interactions energy: -265.692
where: short stacking energy: -126.296
Base-Backbone interact. energy: -0.601
local terms energy: -196.814886
where:
bonds (distance) C4'-P energy: -48.976
bonds (distance) P-C4' energy: -46.578
flat angles C4'-P-C4' energy: -53.054
flat angles P-C4'-P energy: -22.275
tors. eta vs tors. theta energy: -25.931
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: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -225.966974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.966974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.966974 (E_RNA)
where:
Base-Base interactions energy: -74.318
where: short stacking energy: -70.781
Base-Backbone interact. energy: -1.026
local terms energy: -150.622742
where:
bonds (distance) C4'-P energy: -44.543
bonds (distance) P-C4' energy: -47.261
flat angles C4'-P-C4' energy: -46.087
flat angles P-C4'-P energy: -22.915
tors. eta vs tors. theta energy: 10.182
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: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -956.547275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.547275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.547275 (E_RNA)
where:
Base-Base interactions energy: -647.470
where: short stacking energy: -291.731
Base-Backbone interact. energy: -0.561
local terms energy: -308.515990
where:
bonds (distance) C4'-P energy: -53.152
bonds (distance) P-C4' energy: -57.148
flat angles C4'-P-C4' energy: -62.057
flat angles P-C4'-P energy: -45.648
tors. eta vs tors. theta energy: -90.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -904.157578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.157578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.157578 (E_RNA)
where:
Base-Base interactions energy: -609.756
where: short stacking energy: -269.781
Base-Backbone interact. energy: -2.098
local terms energy: -292.303891
where:
bonds (distance) C4'-P energy: -54.330
bonds (distance) P-C4' energy: -59.067
flat angles C4'-P-C4' energy: -58.509
flat angles P-C4'-P energy: -40.684
tors. eta vs tors. theta energy: -79.714
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: 6
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -885.215877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.215877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.215877 (E_RNA)
where:
Base-Base interactions energy: -608.952
where: short stacking energy: -257.683
Base-Backbone interact. energy: 0.006
local terms energy: -276.269423
where:
bonds (distance) C4'-P energy: -46.821
bonds (distance) P-C4' energy: -55.388
flat angles C4'-P-C4' energy: -56.537
flat angles P-C4'-P energy: -36.561
tors. eta vs tors. theta energy: -80.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -840.046025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.046025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.046025 (E_RNA)
where:
Base-Base interactions energy: -582.194
where: short stacking energy: -261.422
Base-Backbone interact. energy: -0.292
local terms energy: -257.559734
where:
bonds (distance) C4'-P energy: -46.937
bonds (distance) P-C4' energy: -49.327
flat angles C4'-P-C4' energy: -52.096
flat angles P-C4'-P energy: -39.118
tors. eta vs tors. theta energy: -70.082
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: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -785.264316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.264316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.264316 (E_RNA)
where:
Base-Base interactions energy: -548.319
where: short stacking energy: -236.801
Base-Backbone interact. energy: 0.078
local terms energy: -237.022811
where:
bonds (distance) C4'-P energy: -42.292
bonds (distance) P-C4' energy: -45.982
flat angles C4'-P-C4' energy: -55.965
flat angles P-C4'-P energy: -29.532
tors. eta vs tors. theta energy: -63.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -744.768656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.768656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.768656 (E_RNA)
where:
Base-Base interactions energy: -510.587
where: short stacking energy: -218.594
Base-Backbone interact. energy: -0.533
local terms energy: -233.648766
where:
bonds (distance) C4'-P energy: -48.511
bonds (distance) P-C4' energy: -41.163
flat angles C4'-P-C4' energy: -47.685
flat angles P-C4'-P energy: -38.387
tors. eta vs tors. theta energy: -57.903
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: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -720.901960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.901960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.901960 (E_RNA)
where:
Base-Base interactions energy: -490.746
where: short stacking energy: -217.018
Base-Backbone interact. energy: -0.377
local terms energy: -229.778648
where:
bonds (distance) C4'-P energy: -33.684
bonds (distance) P-C4' energy: -51.853
flat angles C4'-P-C4' energy: -51.946
flat angles P-C4'-P energy: -30.862
tors. eta vs tors. theta energy: -61.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -534.916922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.916922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.916922 (E_RNA)
where:
Base-Base interactions energy: -326.713
where: short stacking energy: -140.609
Base-Backbone interact. energy: -0.722
local terms energy: -207.481918
where:
bonds (distance) C4'-P energy: -51.082
bonds (distance) P-C4' energy: -49.857
flat angles C4'-P-C4' energy: -44.459
flat angles P-C4'-P energy: -31.881
tors. eta vs tors. theta energy: -30.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -414.915668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.915668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.915668 (E_RNA)
where:
Base-Base interactions energy: -245.399
where: short stacking energy: -122.476
Base-Backbone interact. energy: -1.741
local terms energy: -167.775782
where:
bonds (distance) C4'-P energy: -45.514
bonds (distance) P-C4' energy: -45.123
flat angles C4'-P-C4' energy: -42.555
flat angles P-C4'-P energy: -22.294
tors. eta vs tors. theta energy: -12.291
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: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -227.795105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.795105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.795105 (E_RNA)
where:
Base-Base interactions energy: -68.449
where: short stacking energy: -64.891
Base-Backbone interact. energy: -0.996
local terms energy: -158.349678
where:
bonds (distance) C4'-P energy: -46.251
bonds (distance) P-C4' energy: -43.787
flat angles C4'-P-C4' energy: -34.874
flat angles P-C4'-P energy: -33.244
tors. eta vs tors. theta energy: -0.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -964.198179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.198179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.198179 (E_RNA)
where:
Base-Base interactions energy: -686.308
where: short stacking energy: -290.198
Base-Backbone interact. energy: -0.780
local terms energy: -277.109903
where:
bonds (distance) C4'-P energy: -46.992
bonds (distance) P-C4' energy: -56.834
flat angles C4'-P-C4' energy: -54.718
flat angles P-C4'-P energy: -38.671
tors. eta vs tors. theta energy: -79.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -908.969871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.969871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.969871 (E_RNA)
where:
Base-Base interactions energy: -636.322
where: short stacking energy: -277.219
Base-Backbone interact. energy: 1.728
local terms energy: -274.375575
where:
bonds (distance) C4'-P energy: -43.924
bonds (distance) P-C4' energy: -57.486
flat angles C4'-P-C4' energy: -58.650
flat angles P-C4'-P energy: -33.387
tors. eta vs tors. theta energy: -80.929
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: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -885.497044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.497044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.497044 (E_RNA)
where:
Base-Base interactions energy: -619.171
where: short stacking energy: -249.238
Base-Backbone interact. energy: -1.725
local terms energy: -264.601157
where:
bonds (distance) C4'-P energy: -46.583
bonds (distance) P-C4' energy: -47.285
flat angles C4'-P-C4' energy: -51.374
flat angles P-C4'-P energy: -41.367
tors. eta vs tors. theta energy: -77.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -826.710003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.710003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.710003 (E_RNA)
where:
Base-Base interactions energy: -587.588
where: short stacking energy: -261.912
Base-Backbone interact. energy: 0.859
local terms energy: -239.980709
where:
bonds (distance) C4'-P energy: -44.023
bonds (distance) P-C4' energy: -41.236
flat angles C4'-P-C4' energy: -49.108
flat angles P-C4'-P energy: -34.244
tors. eta vs tors. theta energy: -71.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -785.837580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.837580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.837580 (E_RNA)
where:
Base-Base interactions energy: -538.957
where: short stacking energy: -242.873
Base-Backbone interact. energy: -0.503
local terms energy: -246.377572
where:
bonds (distance) C4'-P energy: -56.646
bonds (distance) P-C4' energy: -45.376
flat angles C4'-P-C4' energy: -51.840
flat angles P-C4'-P energy: -29.661
tors. eta vs tors. theta energy: -62.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -768.331739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.331739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.331739 (E_RNA)
where:
Base-Base interactions energy: -526.006
where: short stacking energy: -233.469
Base-Backbone interact. energy: 1.388
local terms energy: -243.713523
where:
bonds (distance) C4'-P energy: -46.990
bonds (distance) P-C4' energy: -48.561
flat angles C4'-P-C4' energy: -55.108
flat angles P-C4'-P energy: -30.920
tors. eta vs tors. theta energy: -62.135
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: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -728.976328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.976328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.976328 (E_RNA)
where:
Base-Base interactions energy: -487.433
where: short stacking energy: -223.296
Base-Backbone interact. energy: -0.382
local terms energy: -241.161479
where:
bonds (distance) C4'-P energy: -39.455
bonds (distance) P-C4' energy: -52.459
flat angles C4'-P-C4' energy: -56.052
flat angles P-C4'-P energy: -31.634
tors. eta vs tors. theta energy: -61.561
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: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -502.567695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.567695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.567695 (E_RNA)
where:
Base-Base interactions energy: -322.675
where: short stacking energy: -158.310
Base-Backbone interact. energy: -0.283
local terms energy: -179.609755
where:
bonds (distance) C4'-P energy: -45.731
bonds (distance) P-C4' energy: -38.263
flat angles C4'-P-C4' energy: -36.171
flat angles P-C4'-P energy: -23.907
tors. eta vs tors. theta energy: -35.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -439.461232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.461232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.461232 (E_RNA)
where:
Base-Base interactions energy: -276.292
where: short stacking energy: -128.493
Base-Backbone interact. energy: 0.327
local terms energy: -163.496819
where:
bonds (distance) C4'-P energy: -41.278
bonds (distance) P-C4' energy: -39.561
flat angles C4'-P-C4' energy: -46.153
flat angles P-C4'-P energy: -30.811
tors. eta vs tors. theta energy: -5.693
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: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -238.574177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.574177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.574177 (E_RNA)
where:
Base-Base interactions energy: -100.081
where: short stacking energy: -88.140
Base-Backbone interact. energy: 1.397
local terms energy: -139.889750
where:
bonds (distance) C4'-P energy: -40.343
bonds (distance) P-C4' energy: -46.219
flat angles C4'-P-C4' energy: -31.485
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -6.434
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: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -956.198111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.198111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.198111 (E_RNA)
where:
Base-Base interactions energy: -657.053
where: short stacking energy: -284.192
Base-Backbone interact. energy: -1.043
local terms energy: -298.101814
where:
bonds (distance) C4'-P energy: -55.415
bonds (distance) P-C4' energy: -58.531
flat angles C4'-P-C4' energy: -63.038
flat angles P-C4'-P energy: -38.546
tors. eta vs tors. theta energy: -82.572
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: 6
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -903.884262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.884262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.884262 (E_RNA)
where:
Base-Base interactions energy: -616.024
where: short stacking energy: -265.863
Base-Backbone interact. energy: -1.229
local terms energy: -286.631018
where:
bonds (distance) C4'-P energy: -53.162
bonds (distance) P-C4' energy: -51.874
flat angles C4'-P-C4' energy: -58.448
flat angles P-C4'-P energy: -35.418
tors. eta vs tors. theta energy: -87.730
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: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -899.567963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.567963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.567963 (E_RNA)
where:
Base-Base interactions energy: -617.751
where: short stacking energy: -269.133
Base-Backbone interact. energy: -0.873
local terms energy: -280.943832
where:
bonds (distance) C4'-P energy: -48.304
bonds (distance) P-C4' energy: -62.029
flat angles C4'-P-C4' energy: -47.181
flat angles P-C4'-P energy: -36.688
tors. eta vs tors. theta energy: -86.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -825.239204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.239204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.239204 (E_RNA)
where:
Base-Base interactions energy: -578.936
where: short stacking energy: -263.856
Base-Backbone interact. energy: -0.215
local terms energy: -246.088624
where:
bonds (distance) C4'-P energy: -44.880
bonds (distance) P-C4' energy: -38.214
flat angles C4'-P-C4' energy: -60.313
flat angles P-C4'-P energy: -32.458
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: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -783.171576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.171576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.171576 (E_RNA)
where:
Base-Base interactions energy: -533.423
where: short stacking energy: -241.378
Base-Backbone interact. energy: -0.347
local terms energy: -249.401322
where:
bonds (distance) C4'-P energy: -51.307
bonds (distance) P-C4' energy: -43.511
flat angles C4'-P-C4' energy: -47.925
flat angles P-C4'-P energy: -41.394
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: 6, replica: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -773.487903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.487903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.487903 (E_RNA)
where:
Base-Base interactions energy: -550.937
where: short stacking energy: -244.809
Base-Backbone interact. energy: -0.996
local terms energy: -221.554887
where:
bonds (distance) C4'-P energy: -36.657
bonds (distance) P-C4' energy: -43.247
flat angles C4'-P-C4' energy: -39.094
flat angles P-C4'-P energy: -37.744
tors. eta vs tors. theta energy: -64.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -730.279225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.279225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.279225 (E_RNA)
where:
Base-Base interactions energy: -492.381
where: short stacking energy: -197.170
Base-Backbone interact. energy: 1.146
local terms energy: -239.044230
where:
bonds (distance) C4'-P energy: -41.609
bonds (distance) P-C4' energy: -50.794
flat angles C4'-P-C4' energy: -48.737
flat angles P-C4'-P energy: -43.346
tors. eta vs tors. theta energy: -54.558
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: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -513.974694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.974694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.974694 (E_RNA)
where:
Base-Base interactions energy: -324.017
where: short stacking energy: -133.015
Base-Backbone interact. energy: -1.208
local terms energy: -188.749747
where:
bonds (distance) C4'-P energy: -31.294
bonds (distance) P-C4' energy: -53.711
flat angles C4'-P-C4' energy: -46.533
flat angles P-C4'-P energy: -28.748
tors. eta vs tors. theta energy: -28.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -445.280463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.280463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.280463 (E_RNA)
where:
Base-Base interactions energy: -279.728
where: short stacking energy: -145.796
Base-Backbone interact. energy: -0.289
local terms energy: -165.263866
where:
bonds (distance) C4'-P energy: -24.115
bonds (distance) P-C4' energy: -48.049
flat angles C4'-P-C4' energy: -38.707
flat angles P-C4'-P energy: -25.827
tors. eta vs tors. theta energy: -28.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -298.641357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.641357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.641357 (E_RNA)
where:
Base-Base interactions energy: -137.273
where: short stacking energy: -83.381
Base-Backbone interact. energy: -0.623
local terms energy: -160.745647
where:
bonds (distance) C4'-P energy: -47.574
bonds (distance) P-C4' energy: -56.241
flat angles C4'-P-C4' energy: -39.186
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -4.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -946.376308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.376308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.376308 (E_RNA)
where:
Base-Base interactions energy: -651.221
where: short stacking energy: -284.159
Base-Backbone interact. energy: -1.009
local terms energy: -294.146429
where:
bonds (distance) C4'-P energy: -52.560
bonds (distance) P-C4' energy: -56.985
flat angles C4'-P-C4' energy: -55.942
flat angles P-C4'-P energy: -38.296
tors. eta vs tors. theta energy: -90.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -916.482681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.482681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.482681 (E_RNA)
where:
Base-Base interactions energy: -629.980
where: short stacking energy: -270.610
Base-Backbone interact. energy: -1.083
local terms energy: -285.419318
where:
bonds (distance) C4'-P energy: -53.696
bonds (distance) P-C4' energy: -52.471
flat angles C4'-P-C4' energy: -54.660
flat angles P-C4'-P energy: -40.993
tors. eta vs tors. theta energy: -83.598
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: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -905.729183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.729183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.729183 (E_RNA)
where:
Base-Base interactions energy: -619.276
where: short stacking energy: -274.421
Base-Backbone interact. energy: -1.189
local terms energy: -285.263841
where:
bonds (distance) C4'-P energy: -57.769
bonds (distance) P-C4' energy: -44.288
flat angles C4'-P-C4' energy: -62.257
flat angles P-C4'-P energy: -44.059
tors. eta vs tors. theta energy: -76.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -844.966579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.966579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.966579 (E_RNA)
where:
Base-Base interactions energy: -562.401
where: short stacking energy: -254.864
Base-Backbone interact. energy: 0.714
local terms energy: -283.279294
where:
bonds (distance) C4'-P energy: -43.704
bonds (distance) P-C4' energy: -60.824
flat angles C4'-P-C4' energy: -63.251
flat angles P-C4'-P energy: -43.224
tors. eta vs tors. theta energy: -72.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -825.565151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.565151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.565151 (E_RNA)
where:
Base-Base interactions energy: -562.359
where: short stacking energy: -249.663
Base-Backbone interact. energy: -1.101
local terms energy: -262.105999
where:
bonds (distance) C4'-P energy: -57.129
bonds (distance) P-C4' energy: -44.014
flat angles C4'-P-C4' energy: -53.517
flat angles P-C4'-P energy: -36.530
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: 6, replica: 9
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -780.260644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.260644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.260644 (E_RNA)
where:
Base-Base interactions energy: -539.530
where: short stacking energy: -236.952
Base-Backbone interact. energy: -0.216
local terms energy: -240.514708
where:
bonds (distance) C4'-P energy: -35.371
bonds (distance) P-C4' energy: -39.906
flat angles C4'-P-C4' energy: -55.530
flat angles P-C4'-P energy: -39.353
tors. eta vs tors. theta energy: -70.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -733.648524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.648524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.648524 (E_RNA)
where:
Base-Base interactions energy: -504.859
where: short stacking energy: -197.755
Base-Backbone interact. energy: 0.399
local terms energy: -229.188224
where:
bonds (distance) C4'-P energy: -44.133
bonds (distance) P-C4' energy: -47.182
flat angles C4'-P-C4' energy: -54.591
flat angles P-C4'-P energy: -30.266
tors. eta vs tors. theta energy: -53.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -499.919877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.919877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.919877 (E_RNA)
where:
Base-Base interactions energy: -325.483
where: short stacking energy: -144.619
Base-Backbone interact. energy: -0.633
local terms energy: -173.803828
where:
bonds (distance) C4'-P energy: -43.638
bonds (distance) P-C4' energy: -37.516
flat angles C4'-P-C4' energy: -45.854
flat angles P-C4'-P energy: -20.205
tors. eta vs tors. theta energy: -26.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -453.043122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.043122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.043122 (E_RNA)
where:
Base-Base interactions energy: -266.216
where: short stacking energy: -127.289
Base-Backbone interact. energy: 0.422
local terms energy: -187.249125
where:
bonds (distance) C4'-P energy: -42.314
bonds (distance) P-C4' energy: -49.470
flat angles C4'-P-C4' energy: -42.650
flat angles P-C4'-P energy: -26.284
tors. eta vs tors. theta energy: -26.532
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: 155
Temperature: 1.350000
Total energy: -302.505708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.505708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.505708 (E_RNA)
where:
Base-Base interactions energy: -141.174
where: short stacking energy: -79.955
Base-Backbone interact. energy: -0.699
local terms energy: -160.633217
where:
bonds (distance) C4'-P energy: -40.026
bonds (distance) P-C4' energy: -53.404
flat angles C4'-P-C4' energy: -33.789
flat angles P-C4'-P energy: -31.724
tors. eta vs tors. theta energy: -1.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -946.740694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.740694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.740694 (E_RNA)
where:
Base-Base interactions energy: -657.641
where: short stacking energy: -300.784
Base-Backbone interact. energy: -1.016
local terms energy: -288.083234
where:
bonds (distance) C4'-P energy: -53.589
bonds (distance) P-C4' energy: -45.363
flat angles C4'-P-C4' energy: -64.085
flat angles P-C4'-P energy: -37.570
tors. eta vs tors. theta energy: -87.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -909.641996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.641996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.641996 (E_RNA)
where:
Base-Base interactions energy: -634.670
where: short stacking energy: -267.115
Base-Backbone interact. energy: -1.190
local terms energy: -273.781800
where:
bonds (distance) C4'-P energy: -48.588
bonds (distance) P-C4' energy: -50.530
flat angles C4'-P-C4' energy: -60.846
flat angles P-C4'-P energy: -37.223
tors. eta vs tors. theta energy: -76.594
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: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -919.714967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.714967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.714967 (E_RNA)
where:
Base-Base interactions energy: -625.806
where: short stacking energy: -284.531
Base-Backbone interact. energy: -1.393
local terms energy: -292.516523
where:
bonds (distance) C4'-P energy: -52.046
bonds (distance) P-C4' energy: -45.330
flat angles C4'-P-C4' energy: -65.970
flat angles P-C4'-P energy: -45.266
tors. eta vs tors. theta energy: -83.905
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: 4, replica: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -821.262995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.262995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.262995 (E_RNA)
where:
Base-Base interactions energy: -557.128
where: short stacking energy: -253.238
Base-Backbone interact. energy: -0.544
local terms energy: -263.590867
where:
bonds (distance) C4'-P energy: -44.133
bonds (distance) P-C4' energy: -49.354
flat angles C4'-P-C4' energy: -57.497
flat angles P-C4'-P energy: -38.810
tors. eta vs tors. theta energy: -73.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -809.734836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.734836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.734836 (E_RNA)
where:
Base-Base interactions energy: -553.161
where: short stacking energy: -246.228
Base-Backbone interact. energy: -0.389
local terms energy: -256.185071
where:
bonds (distance) C4'-P energy: -47.225
bonds (distance) P-C4' energy: -44.193
flat angles C4'-P-C4' energy: -52.668
flat angles P-C4'-P energy: -42.426
tors. eta vs tors. theta energy: -69.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -786.431296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.431296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.431296 (E_RNA)
where:
Base-Base interactions energy: -537.137
where: short stacking energy: -224.063
Base-Backbone interact. energy: 1.273
local terms energy: -250.568078
where:
bonds (distance) C4'-P energy: -54.079
bonds (distance) P-C4' energy: -46.404
flat angles C4'-P-C4' energy: -47.189
flat angles P-C4'-P energy: -38.846
tors. eta vs tors. theta energy: -64.050
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: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -733.185907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.185907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.185907 (E_RNA)
where:
Base-Base interactions energy: -514.219
where: short stacking energy: -197.215
Base-Backbone interact. energy: -2.135
local terms energy: -216.832315
where:
bonds (distance) C4'-P energy: -42.765
bonds (distance) P-C4' energy: -36.025
flat angles C4'-P-C4' energy: -50.513
flat angles P-C4'-P energy: -33.286
tors. eta vs tors. theta energy: -54.244
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: 156
Temperature: 1.250000
Total energy: -538.864017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.864017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.864017 (E_RNA)
where:
Base-Base interactions energy: -339.180
where: short stacking energy: -164.431
Base-Backbone interact. energy: -0.687
local terms energy: -198.996483
where:
bonds (distance) C4'-P energy: -40.822
bonds (distance) P-C4' energy: -42.533
flat angles C4'-P-C4' energy: -46.365
flat angles P-C4'-P energy: -24.214
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: 9, replica: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -471.467758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.467758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.467758 (E_RNA)
where:
Base-Base interactions energy: -297.409
where: short stacking energy: -137.873
Base-Backbone interact. energy: -0.292
local terms energy: -173.766884
where:
bonds (distance) C4'-P energy: -49.117
bonds (distance) P-C4' energy: -44.517
flat angles C4'-P-C4' energy: -38.152
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -30.059
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: 156
Temperature: 1.350000
Total energy: -349.082553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.082553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.082553 (E_RNA)
where:
Base-Base interactions energy: -186.177
where: short stacking energy: -87.285
Base-Backbone interact. energy: -0.389
local terms energy: -162.516027
where:
bonds (distance) C4'-P energy: -42.664
bonds (distance) P-C4' energy: -48.060
flat angles C4'-P-C4' energy: -31.068
flat angles P-C4'-P energy: -28.452
tors. eta vs tors. theta energy: -12.272
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: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -947.833834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.833834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.833834 (E_RNA)
where:
Base-Base interactions energy: -659.711
where: short stacking energy: -298.353
Base-Backbone interact. energy: -0.025
local terms energy: -288.097959
where:
bonds (distance) C4'-P energy: -46.600
bonds (distance) P-C4' energy: -57.032
flat angles C4'-P-C4' energy: -59.962
flat angles P-C4'-P energy: -42.577
tors. eta vs tors. theta energy: -81.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -919.501131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.501131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.501131 (E_RNA)
where:
Base-Base interactions energy: -620.031
where: short stacking energy: -273.497
Base-Backbone interact. energy: 0.640
local terms energy: -300.110679
where:
bonds (distance) C4'-P energy: -61.412
bonds (distance) P-C4' energy: -58.647
flat angles C4'-P-C4' energy: -56.687
flat angles P-C4'-P energy: -42.944
tors. eta vs tors. theta energy: -80.421
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: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -888.215622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.215622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.215622 (E_RNA)
where:
Base-Base interactions energy: -621.241
where: short stacking energy: -275.069
Base-Backbone interact. energy: 0.288
local terms energy: -267.263116
where:
bonds (distance) C4'-P energy: -48.230
bonds (distance) P-C4' energy: -53.763
flat angles C4'-P-C4' energy: -51.193
flat angles P-C4'-P energy: -38.309
tors. eta vs tors. theta energy: -75.768
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: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -826.036424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.036424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.036424 (E_RNA)
where:
Base-Base interactions energy: -561.574
where: short stacking energy: -232.356
Base-Backbone interact. energy: -1.053
local terms energy: -263.408809
where:
bonds (distance) C4'-P energy: -46.670
bonds (distance) P-C4' energy: -41.628
flat angles C4'-P-C4' energy: -61.149
flat angles P-C4'-P energy: -39.774
tors. eta vs tors. theta energy: -74.188
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: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -810.867400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.867400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.867400 (E_RNA)
where:
Base-Base interactions energy: -549.592
where: short stacking energy: -232.106
Base-Backbone interact. energy: -2.721
local terms energy: -258.554271
where:
bonds (distance) C4'-P energy: -51.130
bonds (distance) P-C4' energy: -45.613
flat angles C4'-P-C4' energy: -59.173
flat angles P-C4'-P energy: -31.422
tors. eta vs tors. theta energy: -71.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -786.574960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.574960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.574960 (E_RNA)
where:
Base-Base interactions energy: -539.445
where: short stacking energy: -226.195
Base-Backbone interact. energy: -0.508
local terms energy: -246.622132
where:
bonds (distance) C4'-P energy: -47.202
bonds (distance) P-C4' energy: -48.437
flat angles C4'-P-C4' energy: -50.255
flat angles P-C4'-P energy: -30.503
tors. eta vs tors. theta energy: -70.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -765.347895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.347895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.347895 (E_RNA)
where:
Base-Base interactions energy: -543.083
where: short stacking energy: -243.422
Base-Backbone interact. energy: -1.189
local terms energy: -221.076327
where:
bonds (distance) C4'-P energy: -42.346
bonds (distance) P-C4' energy: -44.457
flat angles C4'-P-C4' energy: -44.473
flat angles P-C4'-P energy: -29.600
tors. eta vs tors. theta energy: -60.201
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: 157
Temperature: 1.250000
Total energy: -511.120900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.120900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.120900 (E_RNA)
where:
Base-Base interactions energy: -312.454
where: short stacking energy: -133.927
Base-Backbone interact. energy: 0.362
local terms energy: -199.029784
where:
bonds (distance) C4'-P energy: -41.851
bonds (distance) P-C4' energy: -40.562
flat angles C4'-P-C4' energy: -54.558
flat angles P-C4'-P energy: -36.210
tors. eta vs tors. theta energy: -25.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -515.350853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.350853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.350853 (E_RNA)
where:
Base-Base interactions energy: -321.540
where: short stacking energy: -153.222
Base-Backbone interact. energy: -0.632
local terms energy: -193.179628
where:
bonds (distance) C4'-P energy: -45.510
bonds (distance) P-C4' energy: -52.178
flat angles C4'-P-C4' energy: -39.232
flat angles P-C4'-P energy: -30.279
tors. eta vs tors. theta energy: -25.981
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: 157
Temperature: 1.350000
Total energy: -351.810469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.810469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.810469 (E_RNA)
where:
Base-Base interactions energy: -182.973
where: short stacking energy: -93.340
Base-Backbone interact. energy: 1.182
local terms energy: -170.018810
where:
bonds (distance) C4'-P energy: -41.566
bonds (distance) P-C4' energy: -38.810
flat angles C4'-P-C4' energy: -45.346
flat angles P-C4'-P energy: -28.539
tors. eta vs tors. theta energy: -15.758
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: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -971.234570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.234570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.234570 (E_RNA)
where:
Base-Base interactions energy: -670.857
where: short stacking energy: -295.238
Base-Backbone interact. energy: -1.332
local terms energy: -299.045057
where:
bonds (distance) C4'-P energy: -54.239
bonds (distance) P-C4' energy: -52.600
flat angles C4'-P-C4' energy: -64.404
flat angles P-C4'-P energy: -40.440
tors. eta vs tors. theta energy: -87.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -937.148939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.148939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.148939 (E_RNA)
where:
Base-Base interactions energy: -657.392
where: short stacking energy: -276.916
Base-Backbone interact. energy: -0.758
local terms energy: -278.998328
where:
bonds (distance) C4'-P energy: -51.784
bonds (distance) P-C4' energy: -51.419
flat angles C4'-P-C4' energy: -56.276
flat angles P-C4'-P energy: -37.073
tors. eta vs tors. theta energy: -82.446
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: 6
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -926.935970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.935970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.935970 (E_RNA)
where:
Base-Base interactions energy: -628.694
where: short stacking energy: -273.379
Base-Backbone interact. energy: 0.202
local terms energy: -298.444892
where:
bonds (distance) C4'-P energy: -46.815
bonds (distance) P-C4' energy: -56.119
flat angles C4'-P-C4' energy: -65.354
flat angles P-C4'-P energy: -40.363
tors. eta vs tors. theta energy: -89.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -820.638675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.638675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.638675 (E_RNA)
where:
Base-Base interactions energy: -561.351
where: short stacking energy: -250.202
Base-Backbone interact. energy: -0.378
local terms energy: -258.909430
where:
bonds (distance) C4'-P energy: -54.331
bonds (distance) P-C4' energy: -51.343
flat angles C4'-P-C4' energy: -51.067
flat angles P-C4'-P energy: -35.156
tors. eta vs tors. theta energy: -67.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -812.093672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.093672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.093672 (E_RNA)
where:
Base-Base interactions energy: -550.544
where: short stacking energy: -244.308
Base-Backbone interact. energy: 0.711
local terms energy: -262.260349
where:
bonds (distance) C4'-P energy: -39.829
bonds (distance) P-C4' energy: -55.052
flat angles C4'-P-C4' energy: -55.556
flat angles P-C4'-P energy: -35.007
tors. eta vs tors. theta energy: -76.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -770.312308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.312308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.312308 (E_RNA)
where:
Base-Base interactions energy: -534.381
where: short stacking energy: -235.304
Base-Backbone interact. energy: 1.084
local terms energy: -237.015527
where:
bonds (distance) C4'-P energy: -39.994
bonds (distance) P-C4' energy: -42.516
flat angles C4'-P-C4' energy: -49.826
flat angles P-C4'-P energy: -34.810
tors. eta vs tors. theta energy: -69.869
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: 9
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -756.304014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.304014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.304014 (E_RNA)
where:
Base-Base interactions energy: -524.682
where: short stacking energy: -223.357
Base-Backbone interact. energy: -0.308
local terms energy: -231.313918
where:
bonds (distance) C4'-P energy: -41.372
bonds (distance) P-C4' energy: -37.547
flat angles C4'-P-C4' energy: -53.341
flat angles P-C4'-P energy: -33.859
tors. eta vs tors. theta energy: -65.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -508.113863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.113863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.113863 (E_RNA)
where:
Base-Base interactions energy: -324.962
where: short stacking energy: -143.661
Base-Backbone interact. energy: -0.755
local terms energy: -182.396539
where:
bonds (distance) C4'-P energy: -49.725
bonds (distance) P-C4' energy: -45.357
flat angles C4'-P-C4' energy: -36.216
flat angles P-C4'-P energy: -32.367
tors. eta vs tors. theta energy: -18.732
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: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -500.171015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.171015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.171015 (E_RNA)
where:
Base-Base interactions energy: -312.311
where: short stacking energy: -140.741
Base-Backbone interact. energy: -0.410
local terms energy: -187.449705
where:
bonds (distance) C4'-P energy: -50.367
bonds (distance) P-C4' energy: -45.732
flat angles C4'-P-C4' energy: -43.063
flat angles P-C4'-P energy: -27.902
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -393.546177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.546177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.546177 (E_RNA)
where:
Base-Base interactions energy: -211.531
where: short stacking energy: -103.192
Base-Backbone interact. energy: -1.633
local terms energy: -180.381902
where:
bonds (distance) C4'-P energy: -39.733
bonds (distance) P-C4' energy: -54.181
flat angles C4'-P-C4' energy: -51.539
flat angles P-C4'-P energy: -21.796
tors. eta vs tors. theta energy: -13.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -966.541422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.541422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.541422 (E_RNA)
where:
Base-Base interactions energy: -662.806
where: short stacking energy: -290.479
Base-Backbone interact. energy: -1.639
local terms energy: -302.096845
where:
bonds (distance) C4'-P energy: -52.208
bonds (distance) P-C4' energy: -59.847
flat angles C4'-P-C4' energy: -62.106
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -85.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -947.412024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.412024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.412024 (E_RNA)
where:
Base-Base interactions energy: -659.597
where: short stacking energy: -278.825
Base-Backbone interact. energy: -1.328
local terms energy: -286.487332
where:
bonds (distance) C4'-P energy: -57.771
bonds (distance) P-C4' energy: -41.030
flat angles C4'-P-C4' energy: -58.842
flat angles P-C4'-P energy: -43.746
tors. eta vs tors. theta energy: -85.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -904.158620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.158620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.158620 (E_RNA)
where:
Base-Base interactions energy: -619.419
where: short stacking energy: -290.281
Base-Backbone interact. energy: 0.513
local terms energy: -285.252168
where:
bonds (distance) C4'-P energy: -54.061
bonds (distance) P-C4' energy: -54.975
flat angles C4'-P-C4' energy: -55.135
flat angles P-C4'-P energy: -40.104
tors. eta vs tors. theta energy: -80.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -837.269940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.269940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.269940 (E_RNA)
where:
Base-Base interactions energy: -565.218
where: short stacking energy: -245.617
Base-Backbone interact. energy: -0.676
local terms energy: -271.376447
where:
bonds (distance) C4'-P energy: -50.911
bonds (distance) P-C4' energy: -54.952
flat angles C4'-P-C4' energy: -53.728
flat angles P-C4'-P energy: -40.139
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: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -813.685220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.685220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.685220 (E_RNA)
where:
Base-Base interactions energy: -533.499
where: short stacking energy: -240.512
Base-Backbone interact. energy: -0.149
local terms energy: -280.037209
where:
bonds (distance) C4'-P energy: -56.026
bonds (distance) P-C4' energy: -55.392
flat angles C4'-P-C4' energy: -55.012
flat angles P-C4'-P energy: -45.407
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: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -748.490044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.490044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.490044 (E_RNA)
where:
Base-Base interactions energy: -507.310
where: short stacking energy: -209.226
Base-Backbone interact. energy: -0.027
local terms energy: -241.152631
where:
bonds (distance) C4'-P energy: -53.230
bonds (distance) P-C4' energy: -45.558
flat angles C4'-P-C4' energy: -51.619
flat angles P-C4'-P energy: -36.773
tors. eta vs tors. theta energy: -53.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -774.541242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.541242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.541242 (E_RNA)
where:
Base-Base interactions energy: -525.298
where: short stacking energy: -231.588
Base-Backbone interact. energy: 0.723
local terms energy: -249.966198
where:
bonds (distance) C4'-P energy: -47.007
bonds (distance) P-C4' energy: -48.084
flat angles C4'-P-C4' energy: -50.940
flat angles P-C4'-P energy: -38.537
tors. eta vs tors. theta energy: -65.398
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: 159
Temperature: 1.250000
Total energy: -501.901900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.901900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.901900 (E_RNA)
where:
Base-Base interactions energy: -308.547
where: short stacking energy: -162.705
Base-Backbone interact. energy: -0.038
local terms energy: -193.317430
where:
bonds (distance) C4'-P energy: -43.202
bonds (distance) P-C4' energy: -43.428
flat angles C4'-P-C4' energy: -47.237
flat angles P-C4'-P energy: -24.319
tors. eta vs tors. theta energy: -35.133
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: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -475.718755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.718755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.718755 (E_RNA)
where:
Base-Base interactions energy: -290.039
where: short stacking energy: -143.538
Base-Backbone interact. energy: -2.110
local terms energy: -183.569999
where:
bonds (distance) C4'-P energy: -40.387
bonds (distance) P-C4' energy: -48.608
flat angles C4'-P-C4' energy: -42.793
flat angles P-C4'-P energy: -25.292
tors. eta vs tors. theta energy: -26.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -388.050015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.050015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.050015 (E_RNA)
where:
Base-Base interactions energy: -244.860
where: short stacking energy: -117.432
Base-Backbone interact. energy: 4.783
local terms energy: -147.972185
where:
bonds (distance) C4'-P energy: -36.140
bonds (distance) P-C4' energy: -41.676
flat angles C4'-P-C4' energy: -29.996
flat angles P-C4'-P energy: -25.645
tors. eta vs tors. theta energy: -14.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -958.991050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.991050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.991050 (E_RNA)
where:
Base-Base interactions energy: -656.696
where: short stacking energy: -294.275
Base-Backbone interact. energy: -0.618
local terms energy: -301.677098
where:
bonds (distance) C4'-P energy: -48.223
bonds (distance) P-C4' energy: -50.735
flat angles C4'-P-C4' energy: -63.179
flat angles P-C4'-P energy: -48.580
tors. eta vs tors. theta energy: -90.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -935.816878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.816878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.816878 (E_RNA)
where:
Base-Base interactions energy: -654.342
where: short stacking energy: -279.058
Base-Backbone interact. energy: -0.564
local terms energy: -280.910544
where:
bonds (distance) C4'-P energy: -48.513
bonds (distance) P-C4' energy: -43.981
flat angles C4'-P-C4' energy: -62.627
flat angles P-C4'-P energy: -41.673
tors. eta vs tors. theta energy: -84.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -911.976797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.976797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.976797 (E_RNA)
where:
Base-Base interactions energy: -627.246
where: short stacking energy: -275.130
Base-Backbone interact. energy: -0.873
local terms energy: -283.857530
where:
bonds (distance) C4'-P energy: -52.249
bonds (distance) P-C4' energy: -50.083
flat angles C4'-P-C4' energy: -56.348
flat angles P-C4'-P energy: -41.707
tors. eta vs tors. theta energy: -83.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -844.531919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.531919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.531919 (E_RNA)
where:
Base-Base interactions energy: -585.664
where: short stacking energy: -260.705
Base-Backbone interact. energy: 0.049
local terms energy: -258.916858
where:
bonds (distance) C4'-P energy: -34.398
bonds (distance) P-C4' energy: -48.354
flat angles C4'-P-C4' energy: -58.214
flat angles P-C4'-P energy: -40.318
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: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -795.149902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.149902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.149902 (E_RNA)
where:
Base-Base interactions energy: -545.130
where: short stacking energy: -246.194
Base-Backbone interact. energy: -0.730
local terms energy: -249.289796
where:
bonds (distance) C4'-P energy: -38.476
bonds (distance) P-C4' energy: -46.414
flat angles C4'-P-C4' energy: -54.537
flat angles P-C4'-P energy: -39.469
tors. eta vs tors. theta energy: -70.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -757.674739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.674739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.674739 (E_RNA)
where:
Base-Base interactions energy: -511.612
where: short stacking energy: -226.266
Base-Backbone interact. energy: 1.029
local terms energy: -247.091610
where:
bonds (distance) C4'-P energy: -49.733
bonds (distance) P-C4' energy: -42.931
flat angles C4'-P-C4' energy: -49.637
flat angles P-C4'-P energy: -37.711
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: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -789.365360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.365360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.365360 (E_RNA)
where:
Base-Base interactions energy: -550.785
where: short stacking energy: -229.917
Base-Backbone interact. energy: -0.316
local terms energy: -238.264491
where:
bonds (distance) C4'-P energy: -41.624
bonds (distance) P-C4' energy: -36.270
flat angles C4'-P-C4' energy: -55.838
flat angles P-C4'-P energy: -37.731
tors. eta vs tors. theta energy: -66.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -458.327719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.327719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.327719 (E_RNA)
where:
Base-Base interactions energy: -263.572
where: short stacking energy: -145.795
Base-Backbone interact. energy: -0.163
local terms energy: -194.592311
where:
bonds (distance) C4'-P energy: -42.512
bonds (distance) P-C4' energy: -50.968
flat angles C4'-P-C4' energy: -52.180
flat angles P-C4'-P energy: -24.331
tors. eta vs tors. theta energy: -24.601
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: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -507.303626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.303626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.303626 (E_RNA)
where:
Base-Base interactions energy: -337.355
where: short stacking energy: -145.601
Base-Backbone interact. energy: 0.019
local terms energy: -169.967897
where:
bonds (distance) C4'-P energy: -39.800
bonds (distance) P-C4' energy: -49.468
flat angles C4'-P-C4' energy: -36.491
flat angles P-C4'-P energy: -26.785
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -368.084760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.084760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.084760 (E_RNA)
where:
Base-Base interactions energy: -203.209
where: short stacking energy: -107.666
Base-Backbone interact. energy: 0.481
local terms energy: -165.356691
where:
bonds (distance) C4'-P energy: -43.573
bonds (distance) P-C4' energy: -46.038
flat angles C4'-P-C4' energy: -48.698
flat angles P-C4'-P energy: -24.558
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -945.463551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.463551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.463551 (E_RNA)
where:
Base-Base interactions energy: -648.077
where: short stacking energy: -290.931
Base-Backbone interact. energy: -2.245
local terms energy: -295.142026
where:
bonds (distance) C4'-P energy: -51.000
bonds (distance) P-C4' energy: -50.819
flat angles C4'-P-C4' energy: -62.148
flat angles P-C4'-P energy: -42.935
tors. eta vs tors. theta energy: -88.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -951.104771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.104771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.104771 (E_RNA)
where:
Base-Base interactions energy: -663.320
where: short stacking energy: -290.200
Base-Backbone interact. energy: -1.100
local terms energy: -286.685121
where:
bonds (distance) C4'-P energy: -52.748
bonds (distance) P-C4' energy: -47.413
flat angles C4'-P-C4' energy: -58.111
flat angles P-C4'-P energy: -44.537
tors. eta vs tors. theta energy: -83.878
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: 6
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -923.291196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.291196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.291196 (E_RNA)
where:
Base-Base interactions energy: -627.014
where: short stacking energy: -280.318
Base-Backbone interact. energy: -1.137
local terms energy: -295.140492
where:
bonds (distance) C4'-P energy: -49.167
bonds (distance) P-C4' energy: -54.480
flat angles C4'-P-C4' energy: -61.553
flat angles P-C4'-P energy: -44.992
tors. eta vs tors. theta energy: -84.949
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: 161
Temperature: 1.050000
Total energy: -816.009422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.009422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.009422 (E_RNA)
where:
Base-Base interactions energy: -555.152
where: short stacking energy: -232.042
Base-Backbone interact. energy: 2.375
local terms energy: -263.231717
where:
bonds (distance) C4'-P energy: -54.073
bonds (distance) P-C4' energy: -42.557
flat angles C4'-P-C4' energy: -58.221
flat angles P-C4'-P energy: -37.912
tors. eta vs tors. theta energy: -70.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -820.704099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.704099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.704099 (E_RNA)
where:
Base-Base interactions energy: -557.942
where: short stacking energy: -251.535
Base-Backbone interact. energy: -0.367
local terms energy: -262.395396
where:
bonds (distance) C4'-P energy: -54.066
bonds (distance) P-C4' energy: -48.004
flat angles C4'-P-C4' energy: -52.758
flat angles P-C4'-P energy: -35.542
tors. eta vs tors. theta energy: -72.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -803.404491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.404491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.404491 (E_RNA)
where:
Base-Base interactions energy: -535.701
where: short stacking energy: -237.740
Base-Backbone interact. energy: -0.170
local terms energy: -267.533484
where:
bonds (distance) C4'-P energy: -52.985
bonds (distance) P-C4' energy: -48.115
flat angles C4'-P-C4' energy: -59.689
flat angles P-C4'-P energy: -38.920
tors. eta vs tors. theta energy: -67.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -749.324691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.324691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.324691 (E_RNA)
where:
Base-Base interactions energy: -510.289
where: short stacking energy: -240.649
Base-Backbone interact. energy: 0.092
local terms energy: -239.127285
where:
bonds (distance) C4'-P energy: -53.238
bonds (distance) P-C4' energy: -44.322
flat angles C4'-P-C4' energy: -48.367
flat angles P-C4'-P energy: -29.932
tors. eta vs tors. theta energy: -63.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -472.592694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.592694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.592694 (E_RNA)
where:
Base-Base interactions energy: -289.662
where: short stacking energy: -139.201
Base-Backbone interact. energy: -2.450
local terms energy: -180.481190
where:
bonds (distance) C4'-P energy: -35.778
bonds (distance) P-C4' energy: -39.157
flat angles C4'-P-C4' energy: -53.720
flat angles P-C4'-P energy: -28.691
tors. eta vs tors. theta energy: -23.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -441.693114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.693114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.693114 (E_RNA)
where:
Base-Base interactions energy: -264.623
where: short stacking energy: -133.932
Base-Backbone interact. energy: -1.484
local terms energy: -175.585556
where:
bonds (distance) C4'-P energy: -47.201
bonds (distance) P-C4' energy: -43.474
flat angles C4'-P-C4' energy: -39.957
flat angles P-C4'-P energy: -19.656
tors. eta vs tors. theta energy: -25.298
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: 161
Temperature: 1.350000
Total energy: -359.009639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.009639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.009639 (E_RNA)
where:
Base-Base interactions energy: -206.092
where: short stacking energy: -96.643
Base-Backbone interact. energy: -1.576
local terms energy: -151.341639
where:
bonds (distance) C4'-P energy: -36.512
bonds (distance) P-C4' energy: -51.791
flat angles C4'-P-C4' energy: -42.898
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -7.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -969.213776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.213776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.213776 (E_RNA)
where:
Base-Base interactions energy: -671.052
where: short stacking energy: -284.281
Base-Backbone interact. energy: -0.738
local terms energy: -297.424210
where:
bonds (distance) C4'-P energy: -50.608
bonds (distance) P-C4' energy: -58.222
flat angles C4'-P-C4' energy: -64.007
flat angles P-C4'-P energy: -44.723
tors. eta vs tors. theta energy: -79.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -931.211527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.211527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.211527 (E_RNA)
where:
Base-Base interactions energy: -645.720
where: short stacking energy: -283.064
Base-Backbone interact. energy: -1.070
local terms energy: -284.421865
where:
bonds (distance) C4'-P energy: -50.038
bonds (distance) P-C4' energy: -46.861
flat angles C4'-P-C4' energy: -61.562
flat angles P-C4'-P energy: -38.580
tors. eta vs tors. theta energy: -87.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -921.385062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.385062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.385062 (E_RNA)
where:
Base-Base interactions energy: -633.264
where: short stacking energy: -283.699
Base-Backbone interact. energy: 0.408
local terms energy: -288.528935
where:
bonds (distance) C4'-P energy: -50.899
bonds (distance) P-C4' energy: -54.324
flat angles C4'-P-C4' energy: -61.259
flat angles P-C4'-P energy: -35.571
tors. eta vs tors. theta energy: -86.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -809.370579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.370579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.370579 (E_RNA)
where:
Base-Base interactions energy: -556.827
where: short stacking energy: -240.614
Base-Backbone interact. energy: -0.834
local terms energy: -251.710135
where:
bonds (distance) C4'-P energy: -35.360
bonds (distance) P-C4' energy: -49.420
flat angles C4'-P-C4' energy: -54.630
flat angles P-C4'-P energy: -45.137
tors. eta vs tors. theta energy: -67.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -841.095751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.095751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.095751 (E_RNA)
where:
Base-Base interactions energy: -593.257
where: short stacking energy: -261.094
Base-Backbone interact. energy: 0.895
local terms energy: -248.733344
where:
bonds (distance) C4'-P energy: -40.300
bonds (distance) P-C4' energy: -54.581
flat angles C4'-P-C4' energy: -47.249
flat angles P-C4'-P energy: -36.633
tors. eta vs tors. theta energy: -69.971
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: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -802.524714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.524714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.524714 (E_RNA)
where:
Base-Base interactions energy: -548.395
where: short stacking energy: -241.741
Base-Backbone interact. energy: -1.955
local terms energy: -252.174052
where:
bonds (distance) C4'-P energy: -39.835
bonds (distance) P-C4' energy: -48.394
flat angles C4'-P-C4' energy: -56.121
flat angles P-C4'-P energy: -35.068
tors. eta vs tors. theta energy: -72.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -732.799252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.799252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.799252 (E_RNA)
where:
Base-Base interactions energy: -503.961
where: short stacking energy: -209.644
Base-Backbone interact. energy: -0.586
local terms energy: -228.252369
where:
bonds (distance) C4'-P energy: -47.746
bonds (distance) P-C4' energy: -51.585
flat angles C4'-P-C4' energy: -44.984
flat angles P-C4'-P energy: -30.916
tors. eta vs tors. theta energy: -53.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -477.765117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.765117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.765117 (E_RNA)
where:
Base-Base interactions energy: -285.120
where: short stacking energy: -131.470
Base-Backbone interact. energy: 2.305
local terms energy: -194.950950
where:
bonds (distance) C4'-P energy: -40.917
bonds (distance) P-C4' energy: -44.700
flat angles C4'-P-C4' energy: -44.117
flat angles P-C4'-P energy: -37.193
tors. eta vs tors. theta energy: -28.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -355.400662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.400662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.400662 (E_RNA)
where:
Base-Base interactions energy: -202.118
where: short stacking energy: -106.660
Base-Backbone interact. energy: -0.642
local terms energy: -152.641140
where:
bonds (distance) C4'-P energy: -48.937
bonds (distance) P-C4' energy: -28.966
flat angles C4'-P-C4' energy: -46.797
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -14.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -497.939806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.939806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.939806 (E_RNA)
where:
Base-Base interactions energy: -303.576
where: short stacking energy: -136.632
Base-Backbone interact. energy: 0.901
local terms energy: -195.264470
where:
bonds (distance) C4'-P energy: -46.448
bonds (distance) P-C4' energy: -54.131
flat angles C4'-P-C4' energy: -49.539
flat angles P-C4'-P energy: -21.623
tors. eta vs tors. theta energy: -23.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -957.302952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.302952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.302952 (E_RNA)
where:
Base-Base interactions energy: -663.819
where: short stacking energy: -294.924
Base-Backbone interact. energy: 0.178
local terms energy: -293.661668
where:
bonds (distance) C4'-P energy: -49.307
bonds (distance) P-C4' energy: -57.686
flat angles C4'-P-C4' energy: -60.261
flat angles P-C4'-P energy: -42.636
tors. eta vs tors. theta energy: -83.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -922.237122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.237122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.237122 (E_RNA)
where:
Base-Base interactions energy: -645.114
where: short stacking energy: -281.154
Base-Backbone interact. energy: -0.963
local terms energy: -276.160287
where:
bonds (distance) C4'-P energy: -52.054
bonds (distance) P-C4' energy: -49.966
flat angles C4'-P-C4' energy: -57.408
flat angles P-C4'-P energy: -33.056
tors. eta vs tors. theta energy: -83.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -910.953271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.953271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.953271 (E_RNA)
where:
Base-Base interactions energy: -626.112
where: short stacking energy: -280.244
Base-Backbone interact. energy: 1.169
local terms energy: -286.011155
where:
bonds (distance) C4'-P energy: -50.857
bonds (distance) P-C4' energy: -58.529
flat angles C4'-P-C4' energy: -61.006
flat angles P-C4'-P energy: -38.055
tors. eta vs tors. theta energy: -77.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -868.430341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.430341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.430341 (E_RNA)
where:
Base-Base interactions energy: -601.702
where: short stacking energy: -260.092
Base-Backbone interact. energy: -0.564
local terms energy: -266.164030
where:
bonds (distance) C4'-P energy: -47.387
bonds (distance) P-C4' energy: -56.406
flat angles C4'-P-C4' energy: -46.051
flat angles P-C4'-P energy: -36.917
tors. eta vs tors. theta energy: -79.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -839.104134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.104134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.104134 (E_RNA)
where:
Base-Base interactions energy: -566.387
where: short stacking energy: -260.535
Base-Backbone interact. energy: 1.502
local terms energy: -274.218653
where:
bonds (distance) C4'-P energy: -43.341
bonds (distance) P-C4' energy: -46.978
flat angles C4'-P-C4' energy: -59.804
flat angles P-C4'-P energy: -40.859
tors. eta vs tors. theta energy: -83.236
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: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -784.650435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.650435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.650435 (E_RNA)
where:
Base-Base interactions energy: -536.645
where: short stacking energy: -230.219
Base-Backbone interact. energy: 1.257
local terms energy: -249.263252
where:
bonds (distance) C4'-P energy: -50.779
bonds (distance) P-C4' energy: -50.239
flat angles C4'-P-C4' energy: -56.531
flat angles P-C4'-P energy: -28.898
tors. eta vs tors. theta energy: -62.817
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: 2
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -711.478874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.478874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.478874 (E_RNA)
where:
Base-Base interactions energy: -483.759
where: short stacking energy: -209.364
Base-Backbone interact. energy: -0.015
local terms energy: -227.704922
where:
bonds (distance) C4'-P energy: -38.957
bonds (distance) P-C4' energy: -51.008
flat angles C4'-P-C4' energy: -43.521
flat angles P-C4'-P energy: -36.569
tors. eta vs tors. theta energy: -57.651
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: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -473.338043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.338043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.338043 (E_RNA)
where:
Base-Base interactions energy: -292.899
where: short stacking energy: -140.567
Base-Backbone interact. energy: 1.168
local terms energy: -181.607548
where:
bonds (distance) C4'-P energy: -39.182
bonds (distance) P-C4' energy: -47.481
flat angles C4'-P-C4' energy: -45.587
flat angles P-C4'-P energy: -20.221
tors. eta vs tors. theta energy: -29.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -372.820385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.820385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.820385 (E_RNA)
where:
Base-Base interactions energy: -210.632
where: short stacking energy: -126.590
Base-Backbone interact. energy: -0.626
local terms energy: -161.562702
where:
bonds (distance) C4'-P energy: -41.287
bonds (distance) P-C4' energy: -40.577
flat angles C4'-P-C4' energy: -34.831
flat angles P-C4'-P energy: -22.413
tors. eta vs tors. theta energy: -22.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -484.622825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.622825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.622825 (E_RNA)
where:
Base-Base interactions energy: -299.795
where: short stacking energy: -136.602
Base-Backbone interact. energy: 0.704
local terms energy: -185.532011
where:
bonds (distance) C4'-P energy: -53.561
bonds (distance) P-C4' energy: -43.401
flat angles C4'-P-C4' energy: -44.236
flat angles P-C4'-P energy: -18.362
tors. eta vs tors. theta energy: -25.973
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: 164
Temperature: 0.900000
Total energy: -951.200708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.200708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.200708 (E_RNA)
where:
Base-Base interactions energy: -659.615
where: short stacking energy: -299.633
Base-Backbone interact. energy: -1.082
local terms energy: -290.503896
where:
bonds (distance) C4'-P energy: -50.934
bonds (distance) P-C4' energy: -54.245
flat angles C4'-P-C4' energy: -62.865
flat angles P-C4'-P energy: -40.352
tors. eta vs tors. theta energy: -82.107
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: 6
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -924.465191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.465191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.465191 (E_RNA)
where:
Base-Base interactions energy: -637.495
where: short stacking energy: -282.399
Base-Backbone interact. energy: 0.876
local terms energy: -287.846379
where:
bonds (distance) C4'-P energy: -48.138
bonds (distance) P-C4' energy: -53.534
flat angles C4'-P-C4' energy: -59.624
flat angles P-C4'-P energy: -45.261
tors. eta vs tors. theta energy: -81.290
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: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -914.057995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.057995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.057995 (E_RNA)
where:
Base-Base interactions energy: -634.877
where: short stacking energy: -260.787
Base-Backbone interact. energy: 0.756
local terms energy: -279.937194
where:
bonds (distance) C4'-P energy: -48.555
bonds (distance) P-C4' energy: -44.304
flat angles C4'-P-C4' energy: -60.575
flat angles P-C4'-P energy: -39.902
tors. eta vs tors. theta energy: -86.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -843.728178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.728178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.728178 (E_RNA)
where:
Base-Base interactions energy: -582.114
where: short stacking energy: -241.915
Base-Backbone interact. energy: -0.819
local terms energy: -260.794970
where:
bonds (distance) C4'-P energy: -56.497
bonds (distance) P-C4' energy: -50.929
flat angles C4'-P-C4' energy: -50.494
flat angles P-C4'-P energy: -33.754
tors. eta vs tors. theta energy: -69.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -806.444034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.444034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.444034 (E_RNA)
where:
Base-Base interactions energy: -543.476
where: short stacking energy: -231.100
Base-Backbone interact. energy: -1.185
local terms energy: -261.783181
where:
bonds (distance) C4'-P energy: -42.228
bonds (distance) P-C4' energy: -54.508
flat angles C4'-P-C4' energy: -57.644
flat angles P-C4'-P energy: -39.206
tors. eta vs tors. theta energy: -68.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -788.119139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.119139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.119139 (E_RNA)
where:
Base-Base interactions energy: -541.134
where: short stacking energy: -238.961
Base-Backbone interact. energy: -1.007
local terms energy: -245.978009
where:
bonds (distance) C4'-P energy: -47.841
bonds (distance) P-C4' energy: -51.557
flat angles C4'-P-C4' energy: -46.941
flat angles P-C4'-P energy: -37.916
tors. eta vs tors. theta energy: -61.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -752.429834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.429834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.429834 (E_RNA)
where:
Base-Base interactions energy: -513.848
where: short stacking energy: -216.488
Base-Backbone interact. energy: 1.296
local terms energy: -239.878110
where:
bonds (distance) C4'-P energy: -41.778
bonds (distance) P-C4' energy: -47.544
flat angles C4'-P-C4' energy: -48.562
flat angles P-C4'-P energy: -37.954
tors. eta vs tors. theta energy: -64.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -469.429074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.429074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.429074 (E_RNA)
where:
Base-Base interactions energy: -286.966
where: short stacking energy: -142.247
Base-Backbone interact. energy: -1.943
local terms energy: -180.519331
where:
bonds (distance) C4'-P energy: -44.449
bonds (distance) P-C4' energy: -44.711
flat angles C4'-P-C4' energy: -46.502
flat angles P-C4'-P energy: -19.351
tors. eta vs tors. theta energy: -25.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -541.427414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.427414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.427414 (E_RNA)
where:
Base-Base interactions energy: -343.769
where: short stacking energy: -158.132
Base-Backbone interact. energy: -0.463
local terms energy: -197.195310
where:
bonds (distance) C4'-P energy: -42.406
bonds (distance) P-C4' energy: -52.339
flat angles C4'-P-C4' energy: -52.184
flat angles P-C4'-P energy: -20.849
tors. eta vs tors. theta energy: -29.417
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: 164
Temperature: 1.350000
Total energy: -350.770472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.770472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.770472 (E_RNA)
where:
Base-Base interactions energy: -177.252
where: short stacking energy: -100.147
Base-Backbone interact. energy: 0.227
local terms energy: -173.745240
where:
bonds (distance) C4'-P energy: -48.455
bonds (distance) P-C4' energy: -38.742
flat angles C4'-P-C4' energy: -41.967
flat angles P-C4'-P energy: -32.542
tors. eta vs tors. theta energy: -12.038
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: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -944.695506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.695506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.695506 (E_RNA)
where:
Base-Base interactions energy: -652.248
where: short stacking energy: -283.728
Base-Backbone interact. energy: -0.666
local terms energy: -291.781413
where:
bonds (distance) C4'-P energy: -51.222
bonds (distance) P-C4' energy: -53.249
flat angles C4'-P-C4' energy: -59.544
flat angles P-C4'-P energy: -41.550
tors. eta vs tors. theta energy: -86.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -920.509796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.509796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.509796 (E_RNA)
where:
Base-Base interactions energy: -630.481
where: short stacking energy: -280.116
Base-Backbone interact. energy: -1.061
local terms energy: -288.967122
where:
bonds (distance) C4'-P energy: -47.662
bonds (distance) P-C4' energy: -53.349
flat angles C4'-P-C4' energy: -64.092
flat angles P-C4'-P energy: -38.479
tors. eta vs tors. theta energy: -85.385
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: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -899.275628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.275628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.275628 (E_RNA)
where:
Base-Base interactions energy: -628.152
where: short stacking energy: -279.246
Base-Backbone interact. energy: -0.330
local terms energy: -270.793574
where:
bonds (distance) C4'-P energy: -47.055
bonds (distance) P-C4' energy: -48.898
flat angles C4'-P-C4' energy: -53.800
flat angles P-C4'-P energy: -36.293
tors. eta vs tors. theta energy: -84.747
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: 4, replica: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -831.042680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.042680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.042680 (E_RNA)
where:
Base-Base interactions energy: -561.450
where: short stacking energy: -262.668
Base-Backbone interact. energy: -1.278
local terms energy: -268.315063
where:
bonds (distance) C4'-P energy: -50.124
bonds (distance) P-C4' energy: -52.292
flat angles C4'-P-C4' energy: -55.890
flat angles P-C4'-P energy: -38.426
tors. eta vs tors. theta energy: -71.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -842.771197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.771197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.771197 (E_RNA)
where:
Base-Base interactions energy: -559.724
where: short stacking energy: -242.668
Base-Backbone interact. energy: 0.645
local terms energy: -283.692298
where:
bonds (distance) C4'-P energy: -52.453
bonds (distance) P-C4' energy: -51.065
flat angles C4'-P-C4' energy: -61.909
flat angles P-C4'-P energy: -41.799
tors. eta vs tors. theta energy: -76.467
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: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -769.739447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.739447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.739447 (E_RNA)
where:
Base-Base interactions energy: -524.599
where: short stacking energy: -227.664
Base-Backbone interact. energy: 0.266
local terms energy: -245.406210
where:
bonds (distance) C4'-P energy: -36.169
bonds (distance) P-C4' energy: -54.541
flat angles C4'-P-C4' energy: -59.393
flat angles P-C4'-P energy: -35.552
tors. eta vs tors. theta energy: -59.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -739.211517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.211517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.211517 (E_RNA)
where:
Base-Base interactions energy: -505.067
where: short stacking energy: -224.926
Base-Backbone interact. energy: 0.634
local terms energy: -234.778759
where:
bonds (distance) C4'-P energy: -51.799
bonds (distance) P-C4' energy: -45.496
flat angles C4'-P-C4' energy: -43.904
flat angles P-C4'-P energy: -31.441
tors. eta vs tors. theta energy: -62.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -525.393739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.393739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.393739 (E_RNA)
where:
Base-Base interactions energy: -339.561
where: short stacking energy: -139.208
Base-Backbone interact. energy: 0.125
local terms energy: -185.958432
where:
bonds (distance) C4'-P energy: -45.977
bonds (distance) P-C4' energy: -45.443
flat angles C4'-P-C4' energy: -39.196
flat angles P-C4'-P energy: -27.807
tors. eta vs tors. theta energy: -27.535
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: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -457.549875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.549875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.549875 (E_RNA)
where:
Base-Base interactions energy: -292.755
where: short stacking energy: -134.498
Base-Backbone interact. energy: -0.875
local terms energy: -163.920571
where:
bonds (distance) C4'-P energy: -39.094
bonds (distance) P-C4' energy: -43.745
flat angles C4'-P-C4' energy: -33.699
flat angles P-C4'-P energy: -25.319
tors. eta vs tors. theta energy: -22.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -350.196326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.196326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.196326 (E_RNA)
where:
Base-Base interactions energy: -173.951
where: short stacking energy: -93.058
Base-Backbone interact. energy: -0.534
local terms energy: -175.710751
where:
bonds (distance) C4'-P energy: -48.662
bonds (distance) P-C4' energy: -46.880
flat angles C4'-P-C4' energy: -39.613
flat angles P-C4'-P energy: -32.671
tors. eta vs tors. theta energy: -7.884
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: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -969.793708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.793708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.793708 (E_RNA)
where:
Base-Base interactions energy: -666.209
where: short stacking energy: -285.129
Base-Backbone interact. energy: -1.509
local terms energy: -302.076052
where:
bonds (distance) C4'-P energy: -55.356
bonds (distance) P-C4' energy: -51.762
flat angles C4'-P-C4' energy: -61.598
flat angles P-C4'-P energy: -46.256
tors. eta vs tors. theta energy: -87.104
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: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -908.965102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.965102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.965102 (E_RNA)
where:
Base-Base interactions energy: -639.541
where: short stacking energy: -275.195
Base-Backbone interact. energy: -0.908
local terms energy: -268.515909
where:
bonds (distance) C4'-P energy: -49.952
bonds (distance) P-C4' energy: -45.004
flat angles C4'-P-C4' energy: -55.253
flat angles P-C4'-P energy: -33.353
tors. eta vs tors. theta energy: -84.953
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: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -890.330459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.330459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.330459 (E_RNA)
where:
Base-Base interactions energy: -643.437
where: short stacking energy: -269.786
Base-Backbone interact. energy: -0.621
local terms energy: -246.272783
where:
bonds (distance) C4'-P energy: -31.012
bonds (distance) P-C4' energy: -34.846
flat angles C4'-P-C4' energy: -62.273
flat angles P-C4'-P energy: -39.677
tors. eta vs tors. theta energy: -78.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -802.579358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.579358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.579358 (E_RNA)
where:
Base-Base interactions energy: -530.088
where: short stacking energy: -236.405
Base-Backbone interact. energy: -0.310
local terms energy: -272.181866
where:
bonds (distance) C4'-P energy: -52.163
bonds (distance) P-C4' energy: -54.935
flat angles C4'-P-C4' energy: -59.657
flat angles P-C4'-P energy: -32.272
tors. eta vs tors. theta energy: -73.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -810.534253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.534253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.534253 (E_RNA)
where:
Base-Base interactions energy: -545.920
where: short stacking energy: -237.266
Base-Backbone interact. energy: -0.405
local terms energy: -264.209255
where:
bonds (distance) C4'-P energy: -42.521
bonds (distance) P-C4' energy: -50.021
flat angles C4'-P-C4' energy: -59.687
flat angles P-C4'-P energy: -35.611
tors. eta vs tors. theta energy: -76.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -757.719321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.719321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.719321 (E_RNA)
where:
Base-Base interactions energy: -516.730
where: short stacking energy: -230.269
Base-Backbone interact. energy: -0.233
local terms energy: -240.755552
where:
bonds (distance) C4'-P energy: -37.287
bonds (distance) P-C4' energy: -51.772
flat angles C4'-P-C4' energy: -54.330
flat angles P-C4'-P energy: -28.922
tors. eta vs tors. theta energy: -68.446
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: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -741.864091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.864091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.864091 (E_RNA)
where:
Base-Base interactions energy: -515.182
where: short stacking energy: -221.275
Base-Backbone interact. energy: -0.600
local terms energy: -226.082048
where:
bonds (distance) C4'-P energy: -45.017
bonds (distance) P-C4' energy: -43.116
flat angles C4'-P-C4' energy: -42.175
flat angles P-C4'-P energy: -31.022
tors. eta vs tors. theta energy: -64.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -543.492908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.492908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.492908 (E_RNA)
where:
Base-Base interactions energy: -345.377
where: short stacking energy: -151.935
Base-Backbone interact. energy: 0.088
local terms energy: -198.203615
where:
bonds (distance) C4'-P energy: -47.186
bonds (distance) P-C4' energy: -45.059
flat angles C4'-P-C4' energy: -44.744
flat angles P-C4'-P energy: -28.094
tors. eta vs tors. theta energy: -33.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -436.351668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.351668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.351668 (E_RNA)
where:
Base-Base interactions energy: -245.115
where: short stacking energy: -115.641
Base-Backbone interact. energy: -1.222
local terms energy: -190.014465
where:
bonds (distance) C4'-P energy: -42.531
bonds (distance) P-C4' energy: -51.307
flat angles C4'-P-C4' energy: -47.595
flat angles P-C4'-P energy: -28.464
tors. eta vs tors. theta energy: -20.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -339.167424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.167424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.167424 (E_RNA)
where:
Base-Base interactions energy: -173.692
where: short stacking energy: -95.947
Base-Backbone interact. energy: -1.240
local terms energy: -164.236028
where:
bonds (distance) C4'-P energy: -41.463
bonds (distance) P-C4' energy: -53.853
flat angles C4'-P-C4' energy: -39.846
flat angles P-C4'-P energy: -24.284
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -961.853422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.853422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.853422 (E_RNA)
where:
Base-Base interactions energy: -658.143
where: short stacking energy: -284.873
Base-Backbone interact. energy: -1.417
local terms energy: -302.293276
where:
bonds (distance) C4'-P energy: -58.597
bonds (distance) P-C4' energy: -56.439
flat angles C4'-P-C4' energy: -58.841
flat angles P-C4'-P energy: -41.366
tors. eta vs tors. theta energy: -87.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -917.185277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.185277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.185277 (E_RNA)
where:
Base-Base interactions energy: -623.050
where: short stacking energy: -266.067
Base-Backbone interact. energy: -0.561
local terms energy: -293.573777
where:
bonds (distance) C4'-P energy: -54.331
bonds (distance) P-C4' energy: -55.175
flat angles C4'-P-C4' energy: -60.615
flat angles P-C4'-P energy: -48.006
tors. eta vs tors. theta energy: -75.446
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: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -875.258616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.258616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.258616 (E_RNA)
where:
Base-Base interactions energy: -600.154
where: short stacking energy: -266.174
Base-Backbone interact. energy: 0.116
local terms energy: -275.220918
where:
bonds (distance) C4'-P energy: -49.455
bonds (distance) P-C4' energy: -56.801
flat angles C4'-P-C4' energy: -56.472
flat angles P-C4'-P energy: -36.717
tors. eta vs tors. theta energy: -75.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -851.650240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.650240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.650240 (E_RNA)
where:
Base-Base interactions energy: -578.683
where: short stacking energy: -243.507
Base-Backbone interact. energy: -0.534
local terms energy: -272.432808
where:
bonds (distance) C4'-P energy: -40.746
bonds (distance) P-C4' energy: -46.784
flat angles C4'-P-C4' energy: -61.119
flat angles P-C4'-P energy: -48.152
tors. eta vs tors. theta energy: -75.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -794.412834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.412834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.412834 (E_RNA)
where:
Base-Base interactions energy: -557.631
where: short stacking energy: -248.077
Base-Backbone interact. energy: -1.346
local terms energy: -235.435376
where:
bonds (distance) C4'-P energy: -34.581
bonds (distance) P-C4' energy: -51.790
flat angles C4'-P-C4' energy: -53.627
flat angles P-C4'-P energy: -30.844
tors. eta vs tors. theta energy: -64.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -744.544943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.544943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.544943 (E_RNA)
where:
Base-Base interactions energy: -497.383
where: short stacking energy: -206.857
Base-Backbone interact. energy: -0.357
local terms energy: -246.805180
where:
bonds (distance) C4'-P energy: -37.648
bonds (distance) P-C4' energy: -53.085
flat angles C4'-P-C4' energy: -58.307
flat angles P-C4'-P energy: -38.145
tors. eta vs tors. theta energy: -59.619
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: 2
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -717.890273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.890273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.890273 (E_RNA)
where:
Base-Base interactions energy: -501.254
where: short stacking energy: -222.244
Base-Backbone interact. energy: 0.400
local terms energy: -217.036667
where:
bonds (distance) C4'-P energy: -47.180
bonds (distance) P-C4' energy: -44.313
flat angles C4'-P-C4' energy: -47.980
flat angles P-C4'-P energy: -23.510
tors. eta vs tors. theta energy: -54.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -535.861283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.861283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.861283 (E_RNA)
where:
Base-Base interactions energy: -329.415
where: short stacking energy: -143.287
Base-Backbone interact. energy: -0.318
local terms energy: -206.128980
where:
bonds (distance) C4'-P energy: -43.523
bonds (distance) P-C4' energy: -48.185
flat angles C4'-P-C4' energy: -48.050
flat angles P-C4'-P energy: -27.430
tors. eta vs tors. theta energy: -38.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -458.943955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.943955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.943955 (E_RNA)
where:
Base-Base interactions energy: -300.115
where: short stacking energy: -131.702
Base-Backbone interact. energy: -2.485
local terms energy: -156.343658
where:
bonds (distance) C4'-P energy: -34.545
bonds (distance) P-C4' energy: -45.802
flat angles C4'-P-C4' energy: -38.135
flat angles P-C4'-P energy: -18.556
tors. eta vs tors. theta energy: -19.307
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: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -316.227517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.227517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.227517 (E_RNA)
where:
Base-Base interactions energy: -166.641
where: short stacking energy: -94.503
Base-Backbone interact. energy: 1.071
local terms energy: -150.656625
where:
bonds (distance) C4'-P energy: -33.168
bonds (distance) P-C4' energy: -43.912
flat angles C4'-P-C4' energy: -38.046
flat angles P-C4'-P energy: -27.457
tors. eta vs tors. theta energy: -8.073
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: 3
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -968.404075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.404075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.404075 (E_RNA)
where:
Base-Base interactions energy: -666.266
where: short stacking energy: -298.803
Base-Backbone interact. energy: -0.991
local terms energy: -301.146635
where:
bonds (distance) C4'-P energy: -51.923
bonds (distance) P-C4' energy: -52.132
flat angles C4'-P-C4' energy: -58.546
flat angles P-C4'-P energy: -46.108
tors. eta vs tors. theta energy: -92.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -946.396731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.396731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.396731 (E_RNA)
where:
Base-Base interactions energy: -662.990
where: short stacking energy: -292.998
Base-Backbone interact. energy: 1.331
local terms energy: -284.737897
where:
bonds (distance) C4'-P energy: -51.572
bonds (distance) P-C4' energy: -50.239
flat angles C4'-P-C4' energy: -58.967
flat angles P-C4'-P energy: -34.880
tors. eta vs tors. theta energy: -89.080
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: 6
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -866.696858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.696858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.696858 (E_RNA)
where:
Base-Base interactions energy: -596.428
where: short stacking energy: -270.120
Base-Backbone interact. energy: -0.673
local terms energy: -269.595639
where:
bonds (distance) C4'-P energy: -46.168
bonds (distance) P-C4' energy: -54.511
flat angles C4'-P-C4' energy: -56.596
flat angles P-C4'-P energy: -38.096
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: 4, replica: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -847.716327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.716327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.716327 (E_RNA)
where:
Base-Base interactions energy: -571.716
where: short stacking energy: -251.117
Base-Backbone interact. energy: -0.961
local terms energy: -275.040020
where:
bonds (distance) C4'-P energy: -48.475
bonds (distance) P-C4' energy: -56.450
flat angles C4'-P-C4' energy: -57.939
flat angles P-C4'-P energy: -42.369
tors. eta vs tors. theta energy: -69.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -802.767778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.767778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.767778 (E_RNA)
where:
Base-Base interactions energy: -535.203
where: short stacking energy: -243.834
Base-Backbone interact. energy: -0.301
local terms energy: -267.263786
where:
bonds (distance) C4'-P energy: -49.672
bonds (distance) P-C4' energy: -54.605
flat angles C4'-P-C4' energy: -57.131
flat angles P-C4'-P energy: -35.811
tors. eta vs tors. theta energy: -70.045
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: 9
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -755.190726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.190726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.190726 (E_RNA)
where:
Base-Base interactions energy: -526.332
where: short stacking energy: -226.420
Base-Backbone interact. energy: -0.408
local terms energy: -228.449925
where:
bonds (distance) C4'-P energy: -43.013
bonds (distance) P-C4' energy: -37.061
flat angles C4'-P-C4' energy: -56.713
flat angles P-C4'-P energy: -26.779
tors. eta vs tors. theta energy: -64.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -707.282860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.282860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.282860 (E_RNA)
where:
Base-Base interactions energy: -486.000
where: short stacking energy: -211.394
Base-Backbone interact. energy: 2.612
local terms energy: -223.894234
where:
bonds (distance) C4'-P energy: -53.006
bonds (distance) P-C4' energy: -46.258
flat angles C4'-P-C4' energy: -53.713
flat angles P-C4'-P energy: -15.955
tors. eta vs tors. theta energy: -54.962
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: 168
Temperature: 1.250000
Total energy: -556.787677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.787677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.787677 (E_RNA)
where:
Base-Base interactions energy: -369.273
where: short stacking energy: -162.262
Base-Backbone interact. energy: 1.007
local terms energy: -188.521069
where:
bonds (distance) C4'-P energy: -42.513
bonds (distance) P-C4' energy: -43.149
flat angles C4'-P-C4' energy: -45.895
flat angles P-C4'-P energy: -25.342
tors. eta vs tors. theta energy: -31.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -515.110814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.110814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.110814 (E_RNA)
where:
Base-Base interactions energy: -317.080
where: short stacking energy: -154.661
Base-Backbone interact. energy: -0.702
local terms energy: -197.329357
where:
bonds (distance) C4'-P energy: -36.262
bonds (distance) P-C4' energy: -45.822
flat angles C4'-P-C4' energy: -52.592
flat angles P-C4'-P energy: -29.851
tors. eta vs tors. theta energy: -32.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -263.997586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.997586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.997586 (E_RNA)
where:
Base-Base interactions energy: -114.401
where: short stacking energy: -67.884
Base-Backbone interact. energy: -0.295
local terms energy: -149.301191
where:
bonds (distance) C4'-P energy: -41.943
bonds (distance) P-C4' energy: -46.070
flat angles C4'-P-C4' energy: -43.801
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: 4.287
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: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -957.368437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.368437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.368437 (E_RNA)
where:
Base-Base interactions energy: -670.216
where: short stacking energy: -292.306
Base-Backbone interact. energy: -1.146
local terms energy: -286.006526
where:
bonds (distance) C4'-P energy: -53.156
bonds (distance) P-C4' energy: -46.755
flat angles C4'-P-C4' energy: -59.579
flat angles P-C4'-P energy: -36.699
tors. eta vs tors. theta energy: -89.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -939.682064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.682064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.682064 (E_RNA)
where:
Base-Base interactions energy: -656.313
where: short stacking energy: -286.396
Base-Backbone interact. energy: 2.019
local terms energy: -285.387618
where:
bonds (distance) C4'-P energy: -47.420
bonds (distance) P-C4' energy: -52.097
flat angles C4'-P-C4' energy: -58.885
flat angles P-C4'-P energy: -38.022
tors. eta vs tors. theta energy: -88.963
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: 6
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -884.913082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.913082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.913082 (E_RNA)
where:
Base-Base interactions energy: -611.856
where: short stacking energy: -263.693
Base-Backbone interact. energy: 0.539
local terms energy: -273.596178
where:
bonds (distance) C4'-P energy: -54.039
bonds (distance) P-C4' energy: -50.264
flat angles C4'-P-C4' energy: -55.206
flat angles P-C4'-P energy: -41.477
tors. eta vs tors. theta energy: -72.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -804.548300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.548300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.548300 (E_RNA)
where:
Base-Base interactions energy: -517.739
where: short stacking energy: -219.858
Base-Backbone interact. energy: 0.141
local terms energy: -286.950244
where:
bonds (distance) C4'-P energy: -55.522
bonds (distance) P-C4' energy: -53.965
flat angles C4'-P-C4' energy: -61.539
flat angles P-C4'-P energy: -45.905
tors. eta vs tors. theta energy: -70.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -830.929114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.929114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.929114 (E_RNA)
where:
Base-Base interactions energy: -577.960
where: short stacking energy: -234.424
Base-Backbone interact. energy: -1.370
local terms energy: -251.598712
where:
bonds (distance) C4'-P energy: -51.738
bonds (distance) P-C4' energy: -48.084
flat angles C4'-P-C4' energy: -50.669
flat angles P-C4'-P energy: -34.254
tors. eta vs tors. theta energy: -66.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -767.353726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.353726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.353726 (E_RNA)
where:
Base-Base interactions energy: -511.335
where: short stacking energy: -242.546
Base-Backbone interact. energy: -0.473
local terms energy: -255.544933
where:
bonds (distance) C4'-P energy: -53.253
bonds (distance) P-C4' energy: -51.236
flat angles C4'-P-C4' energy: -55.821
flat angles P-C4'-P energy: -24.475
tors. eta vs tors. theta energy: -70.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -724.666869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.666869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.666869 (E_RNA)
where:
Base-Base interactions energy: -499.791
where: short stacking energy: -215.969
Base-Backbone interact. energy: 0.933
local terms energy: -225.809531
where:
bonds (distance) C4'-P energy: -41.256
bonds (distance) P-C4' energy: -50.566
flat angles C4'-P-C4' energy: -53.435
flat angles P-C4'-P energy: -22.645
tors. eta vs tors. theta energy: -57.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -572.946634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.946634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.946634 (E_RNA)
where:
Base-Base interactions energy: -377.817
where: short stacking energy: -149.213
Base-Backbone interact. energy: 1.312
local terms energy: -196.441752
where:
bonds (distance) C4'-P energy: -48.407
bonds (distance) P-C4' energy: -45.007
flat angles C4'-P-C4' energy: -37.338
flat angles P-C4'-P energy: -35.410
tors. eta vs tors. theta energy: -30.280
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: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -490.245055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.245055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.245055 (E_RNA)
where:
Base-Base interactions energy: -318.499
where: short stacking energy: -128.782
Base-Backbone interact. energy: 0.227
local terms energy: -171.973256
where:
bonds (distance) C4'-P energy: -36.784
bonds (distance) P-C4' energy: -49.693
flat angles C4'-P-C4' energy: -44.101
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -22.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -299.844093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.844093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.844093 (E_RNA)
where:
Base-Base interactions energy: -147.161
where: short stacking energy: -101.659
Base-Backbone interact. energy: -0.792
local terms energy: -151.891830
where:
bonds (distance) C4'-P energy: -50.508
bonds (distance) P-C4' energy: -34.867
flat angles C4'-P-C4' energy: -33.613
flat angles P-C4'-P energy: -22.214
tors. eta vs tors. theta energy: -10.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -970.064754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.064754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.064754 (E_RNA)
where:
Base-Base interactions energy: -678.402
where: short stacking energy: -284.667
Base-Backbone interact. energy: -0.617
local terms energy: -291.045845
where:
bonds (distance) C4'-P energy: -53.591
bonds (distance) P-C4' energy: -55.713
flat angles C4'-P-C4' energy: -55.121
flat angles P-C4'-P energy: -39.283
tors. eta vs tors. theta energy: -87.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -942.954425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.954425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.954425 (E_RNA)
where:
Base-Base interactions energy: -640.576
where: short stacking energy: -291.585
Base-Backbone interact. energy: -2.034
local terms energy: -300.344295
where:
bonds (distance) C4'-P energy: -56.664
bonds (distance) P-C4' energy: -55.217
flat angles C4'-P-C4' energy: -58.216
flat angles P-C4'-P energy: -38.928
tors. eta vs tors. theta energy: -91.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -876.637855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.637855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.637855 (E_RNA)
where:
Base-Base interactions energy: -597.459
where: short stacking energy: -246.215
Base-Backbone interact. energy: -0.814
local terms energy: -278.364354
where:
bonds (distance) C4'-P energy: -49.842
bonds (distance) P-C4' energy: -51.506
flat angles C4'-P-C4' energy: -56.210
flat angles P-C4'-P energy: -42.179
tors. eta vs tors. theta energy: -78.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -840.584115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.584115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.584115 (E_RNA)
where:
Base-Base interactions energy: -565.205
where: short stacking energy: -246.496
Base-Backbone interact. energy: -0.167
local terms energy: -275.212051
where:
bonds (distance) C4'-P energy: -48.570
bonds (distance) P-C4' energy: -53.624
flat angles C4'-P-C4' energy: -57.067
flat angles P-C4'-P energy: -43.171
tors. eta vs tors. theta energy: -72.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -841.099710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.099710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.099710 (E_RNA)
where:
Base-Base interactions energy: -578.777
where: short stacking energy: -241.156
Base-Backbone interact. energy: 0.396
local terms energy: -262.718691
where:
bonds (distance) C4'-P energy: -40.057
bonds (distance) P-C4' energy: -47.222
flat angles C4'-P-C4' energy: -61.710
flat angles P-C4'-P energy: -42.175
tors. eta vs tors. theta energy: -71.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -778.984789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.984789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.984789 (E_RNA)
where:
Base-Base interactions energy: -561.614
where: short stacking energy: -239.633
Base-Backbone interact. energy: 1.151
local terms energy: -218.522039
where:
bonds (distance) C4'-P energy: -31.838
bonds (distance) P-C4' energy: -39.170
flat angles C4'-P-C4' energy: -49.190
flat angles P-C4'-P energy: -37.944
tors. eta vs tors. theta energy: -60.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -734.585540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.585540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.585540 (E_RNA)
where:
Base-Base interactions energy: -509.105
where: short stacking energy: -224.890
Base-Backbone interact. energy: -0.351
local terms energy: -225.129071
where:
bonds (distance) C4'-P energy: -49.874
bonds (distance) P-C4' energy: -42.218
flat angles C4'-P-C4' energy: -51.254
flat angles P-C4'-P energy: -24.087
tors. eta vs tors. theta energy: -57.697
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: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -573.671574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.671574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.671574 (E_RNA)
where:
Base-Base interactions energy: -378.790
where: short stacking energy: -151.422
Base-Backbone interact. energy: 1.319
local terms energy: -196.200531
where:
bonds (distance) C4'-P energy: -45.630
bonds (distance) P-C4' energy: -45.827
flat angles C4'-P-C4' energy: -44.049
flat angles P-C4'-P energy: -34.234
tors. eta vs tors. theta energy: -26.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -517.846506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.846506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.846506 (E_RNA)
where:
Base-Base interactions energy: -323.558
where: short stacking energy: -140.242
Base-Backbone interact. energy: 1.681
local terms energy: -195.969760
where:
bonds (distance) C4'-P energy: -34.923
bonds (distance) P-C4' energy: -49.126
flat angles C4'-P-C4' energy: -44.143
flat angles P-C4'-P energy: -35.580
tors. eta vs tors. theta energy: -32.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -213.413588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.413588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.413588 (E_RNA)
where:
Base-Base interactions energy: -68.073
where: short stacking energy: -58.953
Base-Backbone interact. energy: 1.970
local terms energy: -147.310339
where:
bonds (distance) C4'-P energy: -44.154
bonds (distance) P-C4' energy: -59.386
flat angles C4'-P-C4' energy: -36.022
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: 11.081
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: 1, replica: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -958.634407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.634407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.634407 (E_RNA)
where:
Base-Base interactions energy: -664.079
where: short stacking energy: -293.510
Base-Backbone interact. energy: -1.114
local terms energy: -293.441467
where:
bonds (distance) C4'-P energy: -56.669
bonds (distance) P-C4' energy: -49.231
flat angles C4'-P-C4' energy: -56.981
flat angles P-C4'-P energy: -40.694
tors. eta vs tors. theta energy: -89.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -925.589800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.589800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.589800 (E_RNA)
where:
Base-Base interactions energy: -632.296
where: short stacking energy: -282.484
Base-Backbone interact. energy: -1.156
local terms energy: -292.137866
where:
bonds (distance) C4'-P energy: -45.118
bonds (distance) P-C4' energy: -55.174
flat angles C4'-P-C4' energy: -63.889
flat angles P-C4'-P energy: -43.214
tors. eta vs tors. theta energy: -84.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -876.515150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.515150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.515150 (E_RNA)
where:
Base-Base interactions energy: -618.853
where: short stacking energy: -276.541
Base-Backbone interact. energy: 1.034
local terms energy: -258.696608
where:
bonds (distance) C4'-P energy: -40.013
bonds (distance) P-C4' energy: -41.562
flat angles C4'-P-C4' energy: -58.136
flat angles P-C4'-P energy: -35.910
tors. eta vs tors. theta energy: -83.076
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: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -834.748725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.748725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.748725 (E_RNA)
where:
Base-Base interactions energy: -576.720
where: short stacking energy: -254.345
Base-Backbone interact. energy: -0.708
local terms energy: -257.320765
where:
bonds (distance) C4'-P energy: -43.051
bonds (distance) P-C4' energy: -50.143
flat angles C4'-P-C4' energy: -54.765
flat angles P-C4'-P energy: -31.028
tors. eta vs tors. theta energy: -78.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -821.091167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.091167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.091167 (E_RNA)
where:
Base-Base interactions energy: -565.506
where: short stacking energy: -246.891
Base-Backbone interact. energy: -0.306
local terms energy: -255.279162
where:
bonds (distance) C4'-P energy: -53.010
bonds (distance) P-C4' energy: -51.293
flat angles C4'-P-C4' energy: -57.187
flat angles P-C4'-P energy: -30.611
tors. eta vs tors. theta energy: -63.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -770.915230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.915230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.915230 (E_RNA)
where:
Base-Base interactions energy: -535.983
where: short stacking energy: -223.351
Base-Backbone interact. energy: -0.899
local terms energy: -234.032475
where:
bonds (distance) C4'-P energy: -43.618
bonds (distance) P-C4' energy: -50.643
flat angles C4'-P-C4' energy: -36.973
flat angles P-C4'-P energy: -40.133
tors. eta vs tors. theta energy: -62.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -752.250320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.250320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.250320 (E_RNA)
where:
Base-Base interactions energy: -510.678
where: short stacking energy: -224.777
Base-Backbone interact. energy: -1.366
local terms energy: -240.206721
where:
bonds (distance) C4'-P energy: -43.105
bonds (distance) P-C4' energy: -45.548
flat angles C4'-P-C4' energy: -49.593
flat angles P-C4'-P energy: -29.160
tors. eta vs tors. theta energy: -72.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -578.096067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.096067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.096067 (E_RNA)
where:
Base-Base interactions energy: -380.429
where: short stacking energy: -161.099
Base-Backbone interact. energy: -0.821
local terms energy: -196.845709
where:
bonds (distance) C4'-P energy: -41.508
bonds (distance) P-C4' energy: -39.917
flat angles C4'-P-C4' energy: -48.554
flat angles P-C4'-P energy: -33.594
tors. eta vs tors. theta energy: -33.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -497.620060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.620060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.620060 (E_RNA)
where:
Base-Base interactions energy: -305.429
where: short stacking energy: -143.413
Base-Backbone interact. energy: -0.544
local terms energy: -191.647600
where:
bonds (distance) C4'-P energy: -45.035
bonds (distance) P-C4' energy: -44.855
flat angles C4'-P-C4' energy: -48.293
flat angles P-C4'-P energy: -19.809
tors. eta vs tors. theta energy: -33.655
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: 171
Temperature: 1.350000
Total energy: -227.214119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.214119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.214119 (E_RNA)
where:
Base-Base interactions energy: -77.971
where: short stacking energy: -67.433
Base-Backbone interact. energy: 1.285
local terms energy: -150.527870
where:
bonds (distance) C4'-P energy: -44.687
bonds (distance) P-C4' energy: -44.078
flat angles C4'-P-C4' energy: -45.146
flat angles P-C4'-P energy: -26.963
tors. eta vs tors. theta energy: 10.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -953.294681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.294681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.294681 (E_RNA)
where:
Base-Base interactions energy: -654.130
where: short stacking energy: -290.445
Base-Backbone interact. energy: -0.741
local terms energy: -298.423562
where:
bonds (distance) C4'-P energy: -52.009
bonds (distance) P-C4' energy: -58.613
flat angles C4'-P-C4' energy: -61.756
flat angles P-C4'-P energy: -36.050
tors. eta vs tors. theta energy: -89.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -927.703464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.703464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.703464 (E_RNA)
where:
Base-Base interactions energy: -632.764
where: short stacking energy: -255.153
Base-Backbone interact. energy: -0.120
local terms energy: -294.819401
where:
bonds (distance) C4'-P energy: -52.170
bonds (distance) P-C4' energy: -59.695
flat angles C4'-P-C4' energy: -60.086
flat angles P-C4'-P energy: -41.712
tors. eta vs tors. theta energy: -81.156
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: 6
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -893.554694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.554694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.554694 (E_RNA)
where:
Base-Base interactions energy: -625.295
where: short stacking energy: -265.734
Base-Backbone interact. energy: -0.028
local terms energy: -268.231566
where:
bonds (distance) C4'-P energy: -56.290
bonds (distance) P-C4' energy: -48.212
flat angles C4'-P-C4' energy: -52.782
flat angles P-C4'-P energy: -36.224
tors. eta vs tors. theta energy: -74.723
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: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -812.568199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.568199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.568199 (E_RNA)
where:
Base-Base interactions energy: -564.832
where: short stacking energy: -242.602
Base-Backbone interact. energy: -0.231
local terms energy: -247.505009
where:
bonds (distance) C4'-P energy: -48.316
bonds (distance) P-C4' energy: -50.541
flat angles C4'-P-C4' energy: -46.944
flat angles P-C4'-P energy: -35.461
tors. eta vs tors. theta energy: -66.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -813.993941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.993941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.993941 (E_RNA)
where:
Base-Base interactions energy: -553.865
where: short stacking energy: -232.069
Base-Backbone interact. energy: -0.906
local terms energy: -259.222574
where:
bonds (distance) C4'-P energy: -49.727
bonds (distance) P-C4' energy: -54.998
flat angles C4'-P-C4' energy: -51.723
flat angles P-C4'-P energy: -37.045
tors. eta vs tors. theta energy: -65.729
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: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -757.239199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.239199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.239199 (E_RNA)
where:
Base-Base interactions energy: -521.528
where: short stacking energy: -230.989
Base-Backbone interact. energy: 0.200
local terms energy: -235.912028
where:
bonds (distance) C4'-P energy: -49.164
bonds (distance) P-C4' energy: -31.128
flat angles C4'-P-C4' energy: -51.964
flat angles P-C4'-P energy: -39.500
tors. eta vs tors. theta energy: -64.157
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: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -727.976313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.976313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.976313 (E_RNA)
where:
Base-Base interactions energy: -491.970
where: short stacking energy: -216.334
Base-Backbone interact. energy: -1.511
local terms energy: -234.495929
where:
bonds (distance) C4'-P energy: -41.910
bonds (distance) P-C4' energy: -47.894
flat angles C4'-P-C4' energy: -54.254
flat angles P-C4'-P energy: -31.163
tors. eta vs tors. theta energy: -59.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -559.484030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.484030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.484030 (E_RNA)
where:
Base-Base interactions energy: -380.272
where: short stacking energy: -156.192
Base-Backbone interact. energy: -1.357
local terms energy: -177.855213
where:
bonds (distance) C4'-P energy: -41.331
bonds (distance) P-C4' energy: -45.988
flat angles C4'-P-C4' energy: -38.839
flat angles P-C4'-P energy: -29.434
tors. eta vs tors. theta energy: -22.263
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: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -521.024215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.024215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.024215 (E_RNA)
where:
Base-Base interactions energy: -324.311
where: short stacking energy: -151.268
Base-Backbone interact. energy: 2.581
local terms energy: -199.294580
where:
bonds (distance) C4'-P energy: -47.396
bonds (distance) P-C4' energy: -49.246
flat angles C4'-P-C4' energy: -45.254
flat angles P-C4'-P energy: -23.883
tors. eta vs tors. theta energy: -33.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -219.183678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.183678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.183678 (E_RNA)
where:
Base-Base interactions energy: -72.557
where: short stacking energy: -67.692
Base-Backbone interact. energy: -0.704
local terms energy: -145.922570
where:
bonds (distance) C4'-P energy: -43.533
bonds (distance) P-C4' energy: -44.502
flat angles C4'-P-C4' energy: -32.854
flat angles P-C4'-P energy: -22.595
tors. eta vs tors. theta energy: -2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -943.668337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.668337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.668337 (E_RNA)
where:
Base-Base interactions energy: -652.957
where: short stacking energy: -295.076
Base-Backbone interact. energy: -1.595
local terms energy: -289.115937
where:
bonds (distance) C4'-P energy: -49.232
bonds (distance) P-C4' energy: -50.538
flat angles C4'-P-C4' energy: -63.662
flat angles P-C4'-P energy: -36.547
tors. eta vs tors. theta energy: -89.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -934.321914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.321914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.321914 (E_RNA)
where:
Base-Base interactions energy: -664.639
where: short stacking energy: -296.773
Base-Backbone interact. energy: -1.828
local terms energy: -267.855062
where:
bonds (distance) C4'-P energy: -49.400
bonds (distance) P-C4' energy: -39.515
flat angles C4'-P-C4' energy: -57.016
flat angles P-C4'-P energy: -39.427
tors. eta vs tors. theta energy: -82.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -881.893852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.893852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.893852 (E_RNA)
where:
Base-Base interactions energy: -617.326
where: short stacking energy: -267.469
Base-Backbone interact. energy: 2.980
local terms energy: -267.547497
where:
bonds (distance) C4'-P energy: -50.847
bonds (distance) P-C4' energy: -52.504
flat angles C4'-P-C4' energy: -53.130
flat angles P-C4'-P energy: -41.541
tors. eta vs tors. theta energy: -69.526
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: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -836.543392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.543392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.543392 (E_RNA)
where:
Base-Base interactions energy: -567.144
where: short stacking energy: -265.960
Base-Backbone interact. energy: -0.522
local terms energy: -268.876940
where:
bonds (distance) C4'-P energy: -51.074
bonds (distance) P-C4' energy: -49.035
flat angles C4'-P-C4' energy: -53.489
flat angles P-C4'-P energy: -35.575
tors. eta vs tors. theta energy: -79.704
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: 5, replica: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -808.917319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.917319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.917319 (E_RNA)
where:
Base-Base interactions energy: -554.291
where: short stacking energy: -249.952
Base-Backbone interact. energy: -1.469
local terms energy: -253.157140
where:
bonds (distance) C4'-P energy: -36.109
bonds (distance) P-C4' energy: -49.787
flat angles C4'-P-C4' energy: -54.836
flat angles P-C4'-P energy: -40.870
tors. eta vs tors. theta energy: -71.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -761.590654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.590654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.590654 (E_RNA)
where:
Base-Base interactions energy: -501.423
where: short stacking energy: -207.998
Base-Backbone interact. energy: -1.228
local terms energy: -258.939959
where:
bonds (distance) C4'-P energy: -57.379
bonds (distance) P-C4' energy: -54.114
flat angles C4'-P-C4' energy: -58.397
flat angles P-C4'-P energy: -34.253
tors. eta vs tors. theta energy: -54.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -727.707703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.707703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.707703 (E_RNA)
where:
Base-Base interactions energy: -497.773
where: short stacking energy: -196.975
Base-Backbone interact. energy: -2.636
local terms energy: -227.298993
where:
bonds (distance) C4'-P energy: -39.706
bonds (distance) P-C4' energy: -49.267
flat angles C4'-P-C4' energy: -43.284
flat angles P-C4'-P energy: -36.999
tors. eta vs tors. theta energy: -58.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -602.306908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.306908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.306908 (E_RNA)
where:
Base-Base interactions energy: -417.577
where: short stacking energy: -174.083
Base-Backbone interact. energy: -0.275
local terms energy: -184.454898
where:
bonds (distance) C4'-P energy: -37.361
bonds (distance) P-C4' energy: -40.888
flat angles C4'-P-C4' energy: -39.912
flat angles P-C4'-P energy: -25.661
tors. eta vs tors. theta energy: -40.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -493.887649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.887649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.887649 (E_RNA)
where:
Base-Base interactions energy: -326.304
where: short stacking energy: -145.514
Base-Backbone interact. energy: -1.013
local terms energy: -166.570927
where:
bonds (distance) C4'-P energy: -39.437
bonds (distance) P-C4' energy: -42.203
flat angles C4'-P-C4' energy: -45.080
flat angles P-C4'-P energy: -23.472
tors. eta vs tors. theta energy: -16.378
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: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -229.159004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.159004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.159004 (E_RNA)
where:
Base-Base interactions energy: -96.660
where: short stacking energy: -70.837
Base-Backbone interact. energy: -0.856
local terms energy: -131.643950
where:
bonds (distance) C4'-P energy: -30.139
bonds (distance) P-C4' energy: -46.726
flat angles C4'-P-C4' energy: -33.707
flat angles P-C4'-P energy: -34.116
tors. eta vs tors. theta energy: 13.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -947.574625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.574625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.574625 (E_RNA)
where:
Base-Base interactions energy: -660.622
where: short stacking energy: -287.149
Base-Backbone interact. energy: 1.194
local terms energy: -288.145886
where:
bonds (distance) C4'-P energy: -45.677
bonds (distance) P-C4' energy: -50.313
flat angles C4'-P-C4' energy: -57.853
flat angles P-C4'-P energy: -46.083
tors. eta vs tors. theta energy: -88.220
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: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -937.045875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.045875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.045875 (E_RNA)
where:
Base-Base interactions energy: -640.095
where: short stacking energy: -297.437
Base-Backbone interact. energy: -0.388
local terms energy: -296.562587
where:
bonds (distance) C4'-P energy: -56.762
bonds (distance) P-C4' energy: -48.151
flat angles C4'-P-C4' energy: -62.095
flat angles P-C4'-P energy: -39.516
tors. eta vs tors. theta energy: -90.039
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: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -835.241252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.241252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.241252 (E_RNA)
where:
Base-Base interactions energy: -581.559
where: short stacking energy: -269.378
Base-Backbone interact. energy: -0.044
local terms energy: -253.638869
where:
bonds (distance) C4'-P energy: -42.353
bonds (distance) P-C4' energy: -48.912
flat angles C4'-P-C4' energy: -53.319
flat angles P-C4'-P energy: -33.146
tors. eta vs tors. theta energy: -75.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -870.142127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.142127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.142127 (E_RNA)
where:
Base-Base interactions energy: -620.625
where: short stacking energy: -263.882
Base-Backbone interact. energy: -0.768
local terms energy: -248.749694
where:
bonds (distance) C4'-P energy: -44.225
bonds (distance) P-C4' energy: -42.738
flat angles C4'-P-C4' energy: -49.153
flat angles P-C4'-P energy: -36.726
tors. eta vs tors. theta energy: -75.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -822.096391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.096391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.096391 (E_RNA)
where:
Base-Base interactions energy: -587.595
where: short stacking energy: -240.995
Base-Backbone interact. energy: -0.934
local terms energy: -233.567245
where:
bonds (distance) C4'-P energy: -41.752
bonds (distance) P-C4' energy: -48.878
flat angles C4'-P-C4' energy: -48.605
flat angles P-C4'-P energy: -27.253
tors. eta vs tors. theta energy: -67.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -790.416557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.416557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.416557 (E_RNA)
where:
Base-Base interactions energy: -547.743
where: short stacking energy: -233.994
Base-Backbone interact. energy: -1.446
local terms energy: -241.227420
where:
bonds (distance) C4'-P energy: -38.150
bonds (distance) P-C4' energy: -52.034
flat angles C4'-P-C4' energy: -54.156
flat angles P-C4'-P energy: -35.752
tors. eta vs tors. theta energy: -61.135
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: 9
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -711.979288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.979288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.979288 (E_RNA)
where:
Base-Base interactions energy: -489.384
where: short stacking energy: -211.941
Base-Backbone interact. energy: -1.318
local terms energy: -221.277841
where:
bonds (distance) C4'-P energy: -39.585
bonds (distance) P-C4' energy: -35.527
flat angles C4'-P-C4' energy: -53.767
flat angles P-C4'-P energy: -38.813
tors. eta vs tors. theta energy: -53.585
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: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -616.592236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.592236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.592236 (E_RNA)
where:
Base-Base interactions energy: -406.799
where: short stacking energy: -143.824
Base-Backbone interact. energy: 1.662
local terms energy: -211.455542
where:
bonds (distance) C4'-P energy: -48.358
bonds (distance) P-C4' energy: -43.393
flat angles C4'-P-C4' energy: -56.432
flat angles P-C4'-P energy: -28.063
tors. eta vs tors. theta energy: -35.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -520.672772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.672772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.672772 (E_RNA)
where:
Base-Base interactions energy: -301.180
where: short stacking energy: -152.603
Base-Backbone interact. energy: -0.429
local terms energy: -219.064090
where:
bonds (distance) C4'-P energy: -47.999
bonds (distance) P-C4' energy: -45.936
flat angles C4'-P-C4' energy: -47.903
flat angles P-C4'-P energy: -37.228
tors. eta vs tors. theta energy: -39.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -235.431335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.431335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.431335 (E_RNA)
where:
Base-Base interactions energy: -96.781
where: short stacking energy: -63.015
Base-Backbone interact. energy: -0.983
local terms energy: -137.666687
where:
bonds (distance) C4'-P energy: -35.335
bonds (distance) P-C4' energy: -34.741
flat angles C4'-P-C4' energy: -37.290
flat angles P-C4'-P energy: -29.023
tors. eta vs tors. theta energy: -1.278
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: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -951.085826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.085826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.085826 (E_RNA)
where:
Base-Base interactions energy: -661.817
where: short stacking energy: -287.136
Base-Backbone interact. energy: -0.557
local terms energy: -288.711828
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -54.670
flat angles C4'-P-C4' energy: -58.495
flat angles P-C4'-P energy: -42.517
tors. eta vs tors. theta energy: -82.530
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: 2, replica: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -927.499101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.499101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.499101 (E_RNA)
where:
Base-Base interactions energy: -636.354
where: short stacking energy: -282.470
Base-Backbone interact. energy: 2.534
local terms energy: -293.678745
where:
bonds (distance) C4'-P energy: -56.242
bonds (distance) P-C4' energy: -56.975
flat angles C4'-P-C4' energy: -55.251
flat angles P-C4'-P energy: -41.780
tors. eta vs tors. theta energy: -83.432
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: 3, replica: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -861.799615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.799615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.799615 (E_RNA)
where:
Base-Base interactions energy: -585.747
where: short stacking energy: -269.982
Base-Backbone interact. energy: 0.495
local terms energy: -276.547698
where:
bonds (distance) C4'-P energy: -50.931
bonds (distance) P-C4' energy: -48.044
flat angles C4'-P-C4' energy: -58.875
flat angles P-C4'-P energy: -38.653
tors. eta vs tors. theta energy: -80.045
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: 6
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -901.348748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.348748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.348748 (E_RNA)
where:
Base-Base interactions energy: -626.568
where: short stacking energy: -277.383
Base-Backbone interact. energy: 1.318
local terms energy: -276.098885
where:
bonds (distance) C4'-P energy: -52.911
bonds (distance) P-C4' energy: -55.845
flat angles C4'-P-C4' energy: -58.470
flat angles P-C4'-P energy: -33.537
tors. eta vs tors. theta energy: -75.336
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: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -789.446258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.446258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.446258 (E_RNA)
where:
Base-Base interactions energy: -540.222
where: short stacking energy: -236.582
Base-Backbone interact. energy: 1.435
local terms energy: -250.659219
where:
bonds (distance) C4'-P energy: -38.289
bonds (distance) P-C4' energy: -50.664
flat angles C4'-P-C4' energy: -55.317
flat angles P-C4'-P energy: -32.460
tors. eta vs tors. theta energy: -73.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -793.239286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.239286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.239286 (E_RNA)
where:
Base-Base interactions energy: -543.947
where: short stacking energy: -238.960
Base-Backbone interact. energy: 0.288
local terms energy: -249.580953
where:
bonds (distance) C4'-P energy: -48.529
bonds (distance) P-C4' energy: -50.198
flat angles C4'-P-C4' energy: -50.593
flat angles P-C4'-P energy: -37.185
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: 7, replica: 9
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -748.898574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.898574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.898574 (E_RNA)
where:
Base-Base interactions energy: -521.490
where: short stacking energy: -218.704
Base-Backbone interact. energy: -0.447
local terms energy: -226.962458
where:
bonds (distance) C4'-P energy: -46.070
bonds (distance) P-C4' energy: -35.719
flat angles C4'-P-C4' energy: -53.036
flat angles P-C4'-P energy: -32.863
tors. eta vs tors. theta energy: -59.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -555.801724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.801724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.801724 (E_RNA)
where:
Base-Base interactions energy: -342.463
where: short stacking energy: -148.358
Base-Backbone interact. energy: -0.070
local terms energy: -213.267923
where:
bonds (distance) C4'-P energy: -41.974
bonds (distance) P-C4' energy: -52.208
flat angles C4'-P-C4' energy: -49.308
flat angles P-C4'-P energy: -32.015
tors. eta vs tors. theta energy: -37.763
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: 9, replica: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -591.873633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.873633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.873633 (E_RNA)
where:
Base-Base interactions energy: -426.111
where: short stacking energy: -161.994
Base-Backbone interact. energy: 3.117
local terms energy: -168.879844
where:
bonds (distance) C4'-P energy: -38.299
bonds (distance) P-C4' energy: -41.277
flat angles C4'-P-C4' energy: -38.860
flat angles P-C4'-P energy: -25.965
tors. eta vs tors. theta energy: -24.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -245.650430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.650430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.650430 (E_RNA)
where:
Base-Base interactions energy: -114.822
where: short stacking energy: -87.090
Base-Backbone interact. energy: -0.072
local terms energy: -130.756499
where:
bonds (distance) C4'-P energy: -37.314
bonds (distance) P-C4' energy: -41.845
flat angles C4'-P-C4' energy: -39.338
flat angles P-C4'-P energy: -21.133
tors. eta vs tors. theta energy: 8.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -965.339218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.339218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.339218 (E_RNA)
where:
Base-Base interactions energy: -665.768
where: short stacking energy: -292.928
Base-Backbone interact. energy: 0.149
local terms energy: -299.720363
where:
bonds (distance) C4'-P energy: -49.091
bonds (distance) P-C4' energy: -56.408
flat angles C4'-P-C4' energy: -61.744
flat angles P-C4'-P energy: -48.576
tors. eta vs tors. theta energy: -83.901
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: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -920.481214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.481214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.481214 (E_RNA)
where:
Base-Base interactions energy: -635.499
where: short stacking energy: -275.255
Base-Backbone interact. energy: -0.651
local terms energy: -284.330734
where:
bonds (distance) C4'-P energy: -45.154
bonds (distance) P-C4' energy: -51.484
flat angles C4'-P-C4' energy: -63.716
flat angles P-C4'-P energy: -46.709
tors. eta vs tors. theta energy: -77.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -915.064136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.064136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.064136 (E_RNA)
where:
Base-Base interactions energy: -635.500
where: short stacking energy: -284.995
Base-Backbone interact. energy: -0.244
local terms energy: -279.320468
where:
bonds (distance) C4'-P energy: -46.085
bonds (distance) P-C4' energy: -53.893
flat angles C4'-P-C4' energy: -54.879
flat angles P-C4'-P energy: -41.276
tors. eta vs tors. theta energy: -83.187
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: 4, replica: 4
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -817.849627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.849627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.849627 (E_RNA)
where:
Base-Base interactions energy: -560.122
where: short stacking energy: -248.027
Base-Backbone interact. energy: -0.988
local terms energy: -256.739349
where:
bonds (distance) C4'-P energy: -47.273
bonds (distance) P-C4' energy: -49.228
flat angles C4'-P-C4' energy: -59.616
flat angles P-C4'-P energy: -37.743
tors. eta vs tors. theta energy: -62.880
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: 176
Temperature: 1.100000
Total energy: -802.518995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.518995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.518995 (E_RNA)
where:
Base-Base interactions energy: -556.759
where: short stacking energy: -245.464
Base-Backbone interact. energy: -1.271
local terms energy: -244.488774
where:
bonds (distance) C4'-P energy: -42.890
bonds (distance) P-C4' energy: -44.822
flat angles C4'-P-C4' energy: -61.057
flat angles P-C4'-P energy: -32.471
tors. eta vs tors. theta energy: -63.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -791.487993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.487993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.487993 (E_RNA)
where:
Base-Base interactions energy: -547.156
where: short stacking energy: -243.318
Base-Backbone interact. energy: -0.512
local terms energy: -243.820132
where:
bonds (distance) C4'-P energy: -40.880
bonds (distance) P-C4' energy: -44.915
flat angles C4'-P-C4' energy: -50.554
flat angles P-C4'-P energy: -34.443
tors. eta vs tors. theta energy: -73.028
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: 7, replica: 9
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -732.199626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.199626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.199626 (E_RNA)
where:
Base-Base interactions energy: -510.015
where: short stacking energy: -198.805
Base-Backbone interact. energy: -0.605
local terms energy: -221.579563
where:
bonds (distance) C4'-P energy: -43.271
bonds (distance) P-C4' energy: -43.849
flat angles C4'-P-C4' energy: -47.193
flat angles P-C4'-P energy: -38.062
tors. eta vs tors. theta energy: -49.204
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: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -574.742958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.742958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.742958 (E_RNA)
where:
Base-Base interactions energy: -364.975
where: short stacking energy: -154.758
Base-Backbone interact. energy: -0.481
local terms energy: -209.287245
where:
bonds (distance) C4'-P energy: -54.037
bonds (distance) P-C4' energy: -44.940
flat angles C4'-P-C4' energy: -45.136
flat angles P-C4'-P energy: -31.519
tors. eta vs tors. theta energy: -33.655
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: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -603.413565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.413565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.413565 (E_RNA)
where:
Base-Base interactions energy: -400.166
where: short stacking energy: -152.265
Base-Backbone interact. energy: 0.556
local terms energy: -203.803197
where:
bonds (distance) C4'-P energy: -43.174
bonds (distance) P-C4' energy: -47.518
flat angles C4'-P-C4' energy: -46.200
flat angles P-C4'-P energy: -33.409
tors. eta vs tors. theta energy: -33.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -224.331245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.331245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.331245 (E_RNA)
where:
Base-Base interactions energy: -72.618
where: short stacking energy: -70.386
Base-Backbone interact. energy: 0.469
local terms energy: -152.182163
where:
bonds (distance) C4'-P energy: -49.265
bonds (distance) P-C4' energy: -43.782
flat angles C4'-P-C4' energy: -44.735
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: 1.754
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: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -958.092833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.092833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.092833 (E_RNA)
where:
Base-Base interactions energy: -673.727
where: short stacking energy: -299.490
Base-Backbone interact. energy: 1.262
local terms energy: -285.628007
where:
bonds (distance) C4'-P energy: -52.603
bonds (distance) P-C4' energy: -52.353
flat angles C4'-P-C4' energy: -59.235
flat angles P-C4'-P energy: -35.950
tors. eta vs tors. theta energy: -85.487
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: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -931.635335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.635335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.635335 (E_RNA)
where:
Base-Base interactions energy: -636.969
where: short stacking energy: -274.115
Base-Backbone interact. energy: -0.924
local terms energy: -293.741645
where:
bonds (distance) C4'-P energy: -53.948
bonds (distance) P-C4' energy: -56.629
flat angles C4'-P-C4' energy: -61.736
flat angles P-C4'-P energy: -38.156
tors. eta vs tors. theta energy: -83.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -895.266657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.266657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.266657 (E_RNA)
where:
Base-Base interactions energy: -623.772
where: short stacking energy: -259.920
Base-Backbone interact. energy: 1.251
local terms energy: -272.745268
where:
bonds (distance) C4'-P energy: -47.227
bonds (distance) P-C4' energy: -51.147
flat angles C4'-P-C4' energy: -52.911
flat angles P-C4'-P energy: -48.512
tors. eta vs tors. theta energy: -72.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -822.139800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.139800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.139800 (E_RNA)
where:
Base-Base interactions energy: -551.110
where: short stacking energy: -254.940
Base-Backbone interact. energy: 0.214
local terms energy: -271.244146
where:
bonds (distance) C4'-P energy: -52.238
bonds (distance) P-C4' energy: -49.540
flat angles C4'-P-C4' energy: -57.578
flat angles P-C4'-P energy: -43.399
tors. eta vs tors. theta energy: -68.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -821.142907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.142907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.142907 (E_RNA)
where:
Base-Base interactions energy: -563.702
where: short stacking energy: -246.985
Base-Backbone interact. energy: -1.046
local terms energy: -256.394844
where:
bonds (distance) C4'-P energy: -50.532
bonds (distance) P-C4' energy: -49.104
flat angles C4'-P-C4' energy: -45.715
flat angles P-C4'-P energy: -36.625
tors. eta vs tors. theta energy: -74.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -732.875713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.875713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.875713 (E_RNA)
where:
Base-Base interactions energy: -506.275
where: short stacking energy: -214.700
Base-Backbone interact. energy: 0.157
local terms energy: -226.758511
where:
bonds (distance) C4'-P energy: -45.096
bonds (distance) P-C4' energy: -44.700
flat angles C4'-P-C4' energy: -50.760
flat angles P-C4'-P energy: -32.479
tors. eta vs tors. theta energy: -53.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -749.727528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.727528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.727528 (E_RNA)
where:
Base-Base interactions energy: -494.082
where: short stacking energy: -207.830
Base-Backbone interact. energy: -0.732
local terms energy: -254.913362
where:
bonds (distance) C4'-P energy: -53.068
bonds (distance) P-C4' energy: -50.070
flat angles C4'-P-C4' energy: -57.397
flat angles P-C4'-P energy: -37.226
tors. eta vs tors. theta energy: -57.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -646.737927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.737927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.737927 (E_RNA)
where:
Base-Base interactions energy: -444.843
where: short stacking energy: -180.557
Base-Backbone interact. energy: -2.757
local terms energy: -199.137647
where:
bonds (distance) C4'-P energy: -46.581
bonds (distance) P-C4' energy: -36.777
flat angles C4'-P-C4' energy: -49.543
flat angles P-C4'-P energy: -28.897
tors. eta vs tors. theta energy: -37.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -547.873597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.873597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.873597 (E_RNA)
where:
Base-Base interactions energy: -348.962
where: short stacking energy: -154.331
Base-Backbone interact. energy: 1.112
local terms energy: -200.023327
where:
bonds (distance) C4'-P energy: -49.262
bonds (distance) P-C4' energy: -46.003
flat angles C4'-P-C4' energy: -51.829
flat angles P-C4'-P energy: -23.391
tors. eta vs tors. theta energy: -29.538
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: 177
Temperature: 1.350000
Total energy: -254.750610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.750610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.750610 (E_RNA)
where:
Base-Base interactions energy: -105.952
where: short stacking energy: -65.591
Base-Backbone interact. energy: 0.350
local terms energy: -149.148772
where:
bonds (distance) C4'-P energy: -40.613
bonds (distance) P-C4' energy: -45.777
flat angles C4'-P-C4' energy: -44.699
flat angles P-C4'-P energy: -25.810
tors. eta vs tors. theta energy: 7.751
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: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -961.783359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.783359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.783359 (E_RNA)
where:
Base-Base interactions energy: -653.717
where: short stacking energy: -286.662
Base-Backbone interact. energy: -0.889
local terms energy: -307.177422
where:
bonds (distance) C4'-P energy: -55.775
bonds (distance) P-C4' energy: -55.181
flat angles C4'-P-C4' energy: -63.801
flat angles P-C4'-P energy: -45.977
tors. eta vs tors. theta energy: -86.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -922.444981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.444981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.444981 (E_RNA)
where:
Base-Base interactions energy: -639.723
where: short stacking energy: -265.466
Base-Backbone interact. energy: 1.735
local terms energy: -284.456830
where:
bonds (distance) C4'-P energy: -49.587
bonds (distance) P-C4' energy: -49.223
flat angles C4'-P-C4' energy: -60.907
flat angles P-C4'-P energy: -39.056
tors. eta vs tors. theta energy: -85.684
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: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -904.589915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.589915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.589915 (E_RNA)
where:
Base-Base interactions energy: -619.586
where: short stacking energy: -268.095
Base-Backbone interact. energy: -0.802
local terms energy: -284.202061
where:
bonds (distance) C4'-P energy: -46.805
bonds (distance) P-C4' energy: -48.796
flat angles C4'-P-C4' energy: -64.645
flat angles P-C4'-P energy: -44.287
tors. eta vs tors. theta energy: -79.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -838.110359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.110359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.110359 (E_RNA)
where:
Base-Base interactions energy: -578.991
where: short stacking energy: -254.105
Base-Backbone interact. energy: -0.519
local terms energy: -258.600188
where:
bonds (distance) C4'-P energy: -40.664
bonds (distance) P-C4' energy: -44.165
flat angles C4'-P-C4' energy: -59.197
flat angles P-C4'-P energy: -40.828
tors. eta vs tors. theta energy: -73.745
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: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -816.368251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.368251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.368251 (E_RNA)
where:
Base-Base interactions energy: -569.918
where: short stacking energy: -246.330
Base-Backbone interact. energy: -0.827
local terms energy: -245.623954
where:
bonds (distance) C4'-P energy: -38.010
bonds (distance) P-C4' energy: -41.851
flat angles C4'-P-C4' energy: -58.290
flat angles P-C4'-P energy: -34.142
tors. eta vs tors. theta energy: -73.331
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: 6, replica: 9
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -751.485636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.485636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.485636 (E_RNA)
where:
Base-Base interactions energy: -518.122
where: short stacking energy: -217.278
Base-Backbone interact. energy: -0.668
local terms energy: -232.695469
where:
bonds (distance) C4'-P energy: -34.423
bonds (distance) P-C4' energy: -47.463
flat angles C4'-P-C4' energy: -50.929
flat angles P-C4'-P energy: -34.232
tors. eta vs tors. theta energy: -65.648
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: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -757.445137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.445137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.445137 (E_RNA)
where:
Base-Base interactions energy: -525.898
where: short stacking energy: -227.753
Base-Backbone interact. energy: -0.536
local terms energy: -231.011113
where:
bonds (distance) C4'-P energy: -44.474
bonds (distance) P-C4' energy: -47.139
flat angles C4'-P-C4' energy: -49.539
flat angles P-C4'-P energy: -23.359
tors. eta vs tors. theta energy: -66.500
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: 178
Temperature: 1.250000
Total energy: -667.247793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.247793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.247793 (E_RNA)
where:
Base-Base interactions energy: -468.709
where: short stacking energy: -175.326
Base-Backbone interact. energy: -2.008
local terms energy: -196.530567
where:
bonds (distance) C4'-P energy: -46.253
bonds (distance) P-C4' energy: -33.157
flat angles C4'-P-C4' energy: -40.185
flat angles P-C4'-P energy: -37.953
tors. eta vs tors. theta energy: -38.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -552.912318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.912318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.912318 (E_RNA)
where:
Base-Base interactions energy: -367.212
where: short stacking energy: -166.629
Base-Backbone interact. energy: -0.810
local terms energy: -184.890568
where:
bonds (distance) C4'-P energy: -28.082
bonds (distance) P-C4' energy: -42.894
flat angles C4'-P-C4' energy: -40.277
flat angles P-C4'-P energy: -30.801
tors. eta vs tors. theta energy: -42.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -230.093981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.093981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.093981 (E_RNA)
where:
Base-Base interactions energy: -73.652
where: short stacking energy: -56.119
Base-Backbone interact. energy: -1.526
local terms energy: -154.916301
where:
bonds (distance) C4'-P energy: -42.972
bonds (distance) P-C4' energy: -50.602
flat angles C4'-P-C4' energy: -49.274
flat angles P-C4'-P energy: -22.559
tors. eta vs tors. theta energy: 10.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -960.538611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.538611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.538611 (E_RNA)
where:
Base-Base interactions energy: -670.630
where: short stacking energy: -296.861
Base-Backbone interact. energy: 0.325
local terms energy: -290.233340
where:
bonds (distance) C4'-P energy: -42.976
bonds (distance) P-C4' energy: -51.508
flat angles C4'-P-C4' energy: -64.193
flat angles P-C4'-P energy: -45.637
tors. eta vs tors. theta energy: -85.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -937.088429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.088429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.088429 (E_RNA)
where:
Base-Base interactions energy: -650.632
where: short stacking energy: -292.213
Base-Backbone interact. energy: -0.906
local terms energy: -285.550145
where:
bonds (distance) C4'-P energy: -54.119
bonds (distance) P-C4' energy: -46.295
flat angles C4'-P-C4' energy: -56.258
flat angles P-C4'-P energy: -38.728
tors. eta vs tors. theta energy: -90.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -921.008598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.008598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.008598 (E_RNA)
where:
Base-Base interactions energy: -642.163
where: short stacking energy: -270.404
Base-Backbone interact. energy: 0.741
local terms energy: -279.586350
where:
bonds (distance) C4'-P energy: -53.027
bonds (distance) P-C4' energy: -46.298
flat angles C4'-P-C4' energy: -59.001
flat angles P-C4'-P energy: -38.028
tors. eta vs tors. theta energy: -83.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -831.023767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.023767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.023767 (E_RNA)
where:
Base-Base interactions energy: -578.499
where: short stacking energy: -257.957
Base-Backbone interact. energy: -0.629
local terms energy: -251.896205
where:
bonds (distance) C4'-P energy: -44.260
bonds (distance) P-C4' energy: -40.864
flat angles C4'-P-C4' energy: -57.339
flat angles P-C4'-P energy: -40.767
tors. eta vs tors. theta energy: -68.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -810.121847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.121847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.121847 (E_RNA)
where:
Base-Base interactions energy: -551.357
where: short stacking energy: -236.142
Base-Backbone interact. energy: -1.101
local terms energy: -257.663946
where:
bonds (distance) C4'-P energy: -49.242
bonds (distance) P-C4' energy: -44.630
flat angles C4'-P-C4' energy: -51.341
flat angles P-C4'-P energy: -42.683
tors. eta vs tors. theta energy: -69.768
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: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -760.937073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.937073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.937073 (E_RNA)
where:
Base-Base interactions energy: -506.231
where: short stacking energy: -207.064
Base-Backbone interact. energy: -0.936
local terms energy: -253.770571
where:
bonds (distance) C4'-P energy: -47.734
bonds (distance) P-C4' energy: -54.872
flat angles C4'-P-C4' energy: -53.302
flat angles P-C4'-P energy: -35.043
tors. eta vs tors. theta energy: -62.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -771.442157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.442157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.442157 (E_RNA)
where:
Base-Base interactions energy: -528.180
where: short stacking energy: -213.425
Base-Backbone interact. energy: -0.329
local terms energy: -242.933485
where:
bonds (distance) C4'-P energy: -38.219
bonds (distance) P-C4' energy: -45.913
flat angles C4'-P-C4' energy: -61.076
flat angles P-C4'-P energy: -35.789
tors. eta vs tors. theta energy: -61.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -674.986545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.986545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.986545 (E_RNA)
where:
Base-Base interactions energy: -457.220
where: short stacking energy: -177.413
Base-Backbone interact. energy: -1.702
local terms energy: -216.065218
where:
bonds (distance) C4'-P energy: -49.930
bonds (distance) P-C4' energy: -37.806
flat angles C4'-P-C4' energy: -38.051
flat angles P-C4'-P energy: -38.247
tors. eta vs tors. theta energy: -52.031
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: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -544.624594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.624594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.624594 (E_RNA)
where:
Base-Base interactions energy: -343.325
where: short stacking energy: -138.238
Base-Backbone interact. energy: -1.955
local terms energy: -199.344218
where:
bonds (distance) C4'-P energy: -46.325
bonds (distance) P-C4' energy: -51.975
flat angles C4'-P-C4' energy: -39.642
flat angles P-C4'-P energy: -27.512
tors. eta vs tors. theta energy: -33.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -240.973890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.973890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.973890 (E_RNA)
where:
Base-Base interactions energy: -93.158
where: short stacking energy: -66.815
Base-Backbone interact. energy: -1.032
local terms energy: -146.783439
where:
bonds (distance) C4'-P energy: -45.693
bonds (distance) P-C4' energy: -48.959
flat angles C4'-P-C4' energy: -38.919
flat angles P-C4'-P energy: -20.983
tors. eta vs tors. theta energy: 7.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -954.230802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.230802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.230802 (E_RNA)
where:
Base-Base interactions energy: -665.845
where: short stacking energy: -298.754
Base-Backbone interact. energy: -0.895
local terms energy: -287.490217
where:
bonds (distance) C4'-P energy: -47.049
bonds (distance) P-C4' energy: -48.233
flat angles C4'-P-C4' energy: -57.564
flat angles P-C4'-P energy: -43.502
tors. eta vs tors. theta energy: -91.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -945.884544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.884544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.884544 (E_RNA)
where:
Base-Base interactions energy: -649.956
where: short stacking energy: -292.263
Base-Backbone interact. energy: -1.406
local terms energy: -294.522681
where:
bonds (distance) C4'-P energy: -54.693
bonds (distance) P-C4' energy: -53.713
flat angles C4'-P-C4' energy: -58.957
flat angles P-C4'-P energy: -40.447
tors. eta vs tors. theta energy: -86.712
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: 180
Temperature: 1.000000
Total energy: -894.867885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.867885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.867885 (E_RNA)
where:
Base-Base interactions energy: -625.004
where: short stacking energy: -262.920
Base-Backbone interact. energy: -0.620
local terms energy: -269.244596
where:
bonds (distance) C4'-P energy: -46.982
bonds (distance) P-C4' energy: -50.060
flat angles C4'-P-C4' energy: -52.839
flat angles P-C4'-P energy: -34.130
tors. eta vs tors. theta energy: -85.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -842.390564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.390564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.390564 (E_RNA)
where:
Base-Base interactions energy: -575.689
where: short stacking energy: -245.437
Base-Backbone interact. energy: -1.477
local terms energy: -265.224601
where:
bonds (distance) C4'-P energy: -48.823
bonds (distance) P-C4' energy: -50.171
flat angles C4'-P-C4' energy: -59.394
flat angles P-C4'-P energy: -32.314
tors. eta vs tors. theta energy: -74.523
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: 9
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -764.052120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.052120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.052120 (E_RNA)
where:
Base-Base interactions energy: -511.569
where: short stacking energy: -215.440
Base-Backbone interact. energy: -0.959
local terms energy: -251.524538
where:
bonds (distance) C4'-P energy: -50.149
bonds (distance) P-C4' energy: -52.703
flat angles C4'-P-C4' energy: -55.699
flat angles P-C4'-P energy: -29.345
tors. eta vs tors. theta energy: -63.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -797.188377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.188377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.188377 (E_RNA)
where:
Base-Base interactions energy: -553.650
where: short stacking energy: -243.491
Base-Backbone interact. energy: -0.928
local terms energy: -242.610069
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -42.465
flat angles C4'-P-C4' energy: -48.174
flat angles P-C4'-P energy: -30.063
tors. eta vs tors. theta energy: -73.329
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: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -758.186264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.186264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.186264 (E_RNA)
where:
Base-Base interactions energy: -500.829
where: short stacking energy: -217.608
Base-Backbone interact. energy: -0.507
local terms energy: -256.850667
where:
bonds (distance) C4'-P energy: -55.822
bonds (distance) P-C4' energy: -46.303
flat angles C4'-P-C4' energy: -55.944
flat angles P-C4'-P energy: -35.975
tors. eta vs tors. theta energy: -62.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -688.434009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.434009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.434009 (E_RNA)
where:
Base-Base interactions energy: -478.355
where: short stacking energy: -185.545
Base-Backbone interact. energy: -0.774
local terms energy: -209.304821
where:
bonds (distance) C4'-P energy: -37.177
bonds (distance) P-C4' energy: -41.205
flat angles C4'-P-C4' energy: -50.446
flat angles P-C4'-P energy: -37.380
tors. eta vs tors. theta energy: -43.097
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: 9, replica: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -553.696593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.696593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.696593 (E_RNA)
where:
Base-Base interactions energy: -353.188
where: short stacking energy: -158.756
Base-Backbone interact. energy: 2.390
local terms energy: -202.898775
where:
bonds (distance) C4'-P energy: -37.943
bonds (distance) P-C4' energy: -47.340
flat angles C4'-P-C4' energy: -46.232
flat angles P-C4'-P energy: -41.447
tors. eta vs tors. theta energy: -29.937
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: 180
Temperature: 1.350000
Total energy: -231.573814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.573814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.573814 (E_RNA)
where:
Base-Base interactions energy: -77.438
where: short stacking energy: -69.830
Base-Backbone interact. energy: -0.100
local terms energy: -154.035063
where:
bonds (distance) C4'-P energy: -46.331
bonds (distance) P-C4' energy: -47.509
flat angles C4'-P-C4' energy: -24.023
flat angles P-C4'-P energy: -24.035
tors. eta vs tors. theta energy: -12.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -953.378640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.378640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.378640 (E_RNA)
where:
Base-Base interactions energy: -663.138
where: short stacking energy: -286.861
Base-Backbone interact. energy: -1.022
local terms energy: -289.219280
where:
bonds (distance) C4'-P energy: -48.631
bonds (distance) P-C4' energy: -55.558
flat angles C4'-P-C4' energy: -59.976
flat angles P-C4'-P energy: -40.669
tors. eta vs tors. theta energy: -84.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -959.611482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.611482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.611482 (E_RNA)
where:
Base-Base interactions energy: -661.540
where: short stacking energy: -284.897
Base-Backbone interact. energy: -1.325
local terms energy: -296.746360
where:
bonds (distance) C4'-P energy: -59.960
bonds (distance) P-C4' energy: -52.220
flat angles C4'-P-C4' energy: -56.763
flat angles P-C4'-P energy: -44.241
tors. eta vs tors. theta energy: -83.562
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: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -894.072489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.072489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.072489 (E_RNA)
where:
Base-Base interactions energy: -632.992
where: short stacking energy: -272.130
Base-Backbone interact. energy: -1.549
local terms energy: -259.531049
where:
bonds (distance) C4'-P energy: -37.158
bonds (distance) P-C4' energy: -44.337
flat angles C4'-P-C4' energy: -57.374
flat angles P-C4'-P energy: -37.883
tors. eta vs tors. theta energy: -82.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -806.773366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.773366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.773366 (E_RNA)
where:
Base-Base interactions energy: -554.133
where: short stacking energy: -232.149
Base-Backbone interact. energy: -0.983
local terms energy: -251.657560
where:
bonds (distance) C4'-P energy: -45.404
bonds (distance) P-C4' energy: -44.960
flat angles C4'-P-C4' energy: -51.818
flat angles P-C4'-P energy: -41.353
tors. eta vs tors. theta energy: -68.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -807.258145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.258145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.258145 (E_RNA)
where:
Base-Base interactions energy: -561.783
where: short stacking energy: -243.249
Base-Backbone interact. energy: -0.630
local terms energy: -244.844903
where:
bonds (distance) C4'-P energy: -33.678
bonds (distance) P-C4' energy: -49.159
flat angles C4'-P-C4' energy: -56.312
flat angles P-C4'-P energy: -33.368
tors. eta vs tors. theta energy: -72.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -802.350102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.350102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.350102 (E_RNA)
where:
Base-Base interactions energy: -555.677
where: short stacking energy: -246.625
Base-Backbone interact. energy: 2.346
local terms energy: -249.019298
where:
bonds (distance) C4'-P energy: -40.037
bonds (distance) P-C4' energy: -41.625
flat angles C4'-P-C4' energy: -54.487
flat angles P-C4'-P energy: -39.945
tors. eta vs tors. theta energy: -72.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -766.078842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.078842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.078842 (E_RNA)
where:
Base-Base interactions energy: -532.702
where: short stacking energy: -229.715
Base-Backbone interact. energy: 1.005
local terms energy: -234.382087
where:
bonds (distance) C4'-P energy: -35.939
bonds (distance) P-C4' energy: -44.732
flat angles C4'-P-C4' energy: -57.716
flat angles P-C4'-P energy: -29.866
tors. eta vs tors. theta energy: -66.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -693.260034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.260034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.260034 (E_RNA)
where:
Base-Base interactions energy: -492.157
where: short stacking energy: -185.909
Base-Backbone interact. energy: 0.475
local terms energy: -201.577169
where:
bonds (distance) C4'-P energy: -39.524
bonds (distance) P-C4' energy: -32.522
flat angles C4'-P-C4' energy: -49.653
flat angles P-C4'-P energy: -35.740
tors. eta vs tors. theta energy: -44.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -555.557389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.557389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.557389 (E_RNA)
where:
Base-Base interactions energy: -370.913
where: short stacking energy: -172.016
Base-Backbone interact. energy: -0.472
local terms energy: -184.172536
where:
bonds (distance) C4'-P energy: -36.997
bonds (distance) P-C4' energy: -52.229
flat angles C4'-P-C4' energy: -46.507
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -42.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -215.594917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.594917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.594917 (E_RNA)
where:
Base-Base interactions energy: -69.119
where: short stacking energy: -54.995
Base-Backbone interact. energy: -2.124
local terms energy: -144.352019
where:
bonds (distance) C4'-P energy: -43.108
bonds (distance) P-C4' energy: -49.193
flat angles C4'-P-C4' energy: -35.677
flat angles P-C4'-P energy: -20.009
tors. eta vs tors. theta energy: 3.635
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: 1, replica: 6
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -963.562500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.562500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.562500 (E_RNA)
where:
Base-Base interactions energy: -659.674
where: short stacking energy: -292.536
Base-Backbone interact. energy: -1.334
local terms energy: -302.554838
where:
bonds (distance) C4'-P energy: -49.662
bonds (distance) P-C4' energy: -53.473
flat angles C4'-P-C4' energy: -61.765
flat angles P-C4'-P energy: -47.801
tors. eta vs tors. theta energy: -89.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -936.373827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.373827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.373827 (E_RNA)
where:
Base-Base interactions energy: -663.037
where: short stacking energy: -296.914
Base-Backbone interact. energy: -1.542
local terms energy: -271.795256
where:
bonds (distance) C4'-P energy: -33.149
bonds (distance) P-C4' energy: -56.344
flat angles C4'-P-C4' energy: -55.894
flat angles P-C4'-P energy: -37.912
tors. eta vs tors. theta energy: -88.497
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: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -930.434817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.434817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.434817 (E_RNA)
where:
Base-Base interactions energy: -638.103
where: short stacking energy: -271.815
Base-Backbone interact. energy: -0.989
local terms energy: -291.342702
where:
bonds (distance) C4'-P energy: -47.379
bonds (distance) P-C4' energy: -55.489
flat angles C4'-P-C4' energy: -68.361
flat angles P-C4'-P energy: -38.575
tors. eta vs tors. theta energy: -81.538
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: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -834.272064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.272064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.272064 (E_RNA)
where:
Base-Base interactions energy: -572.717
where: short stacking energy: -245.506
Base-Backbone interact. energy: -0.403
local terms energy: -261.151999
where:
bonds (distance) C4'-P energy: -52.340
bonds (distance) P-C4' energy: -51.203
flat angles C4'-P-C4' energy: -55.033
flat angles P-C4'-P energy: -36.337
tors. eta vs tors. theta energy: -66.238
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: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -817.850665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.850665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.850665 (E_RNA)
where:
Base-Base interactions energy: -570.206
where: short stacking energy: -248.537
Base-Backbone interact. energy: 3.082
local terms energy: -250.727002
where:
bonds (distance) C4'-P energy: -38.384
bonds (distance) P-C4' energy: -53.606
flat angles C4'-P-C4' energy: -55.529
flat angles P-C4'-P energy: -32.523
tors. eta vs tors. theta energy: -70.686
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: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -789.737062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.737062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.737062 (E_RNA)
where:
Base-Base interactions energy: -535.756
where: short stacking energy: -240.129
Base-Backbone interact. energy: -0.972
local terms energy: -253.008934
where:
bonds (distance) C4'-P energy: -44.125
bonds (distance) P-C4' energy: -50.532
flat angles C4'-P-C4' energy: -52.054
flat angles P-C4'-P energy: -32.521
tors. eta vs tors. theta energy: -73.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -764.539459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.539459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.539459 (E_RNA)
where:
Base-Base interactions energy: -529.662
where: short stacking energy: -233.174
Base-Backbone interact. energy: -1.066
local terms energy: -233.812069
where:
bonds (distance) C4'-P energy: -26.354
bonds (distance) P-C4' energy: -56.592
flat angles C4'-P-C4' energy: -53.059
flat angles P-C4'-P energy: -39.693
tors. eta vs tors. theta energy: -58.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -693.568844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.568844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.568844 (E_RNA)
where:
Base-Base interactions energy: -484.175
where: short stacking energy: -184.202
Base-Backbone interact. energy: -0.306
local terms energy: -209.087700
where:
bonds (distance) C4'-P energy: -42.866
bonds (distance) P-C4' energy: -45.210
flat angles C4'-P-C4' energy: -37.678
flat angles P-C4'-P energy: -33.873
tors. eta vs tors. theta energy: -49.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -568.938270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.938270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.938270 (E_RNA)
where:
Base-Base interactions energy: -364.318
where: short stacking energy: -159.231
Base-Backbone interact. energy: -0.568
local terms energy: -204.053025
where:
bonds (distance) C4'-P energy: -49.041
bonds (distance) P-C4' energy: -38.452
flat angles C4'-P-C4' energy: -53.388
flat angles P-C4'-P energy: -26.495
tors. eta vs tors. theta energy: -36.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -229.554253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.554253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.554253 (E_RNA)
where:
Base-Base interactions energy: -75.787
where: short stacking energy: -70.328
Base-Backbone interact. energy: 0.141
local terms energy: -153.907689
where:
bonds (distance) C4'-P energy: -36.529
bonds (distance) P-C4' energy: -54.088
flat angles C4'-P-C4' energy: -40.965
flat angles P-C4'-P energy: -22.913
tors. eta vs tors. theta energy: 0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -965.685667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.685667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.685667 (E_RNA)
where:
Base-Base interactions energy: -665.177
where: short stacking energy: -291.949
Base-Backbone interact. energy: -0.281
local terms energy: -300.228107
where:
bonds (distance) C4'-P energy: -59.068
bonds (distance) P-C4' energy: -52.031
flat angles C4'-P-C4' energy: -61.255
flat angles P-C4'-P energy: -36.003
tors. eta vs tors. theta energy: -91.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -933.851886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.851886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.851886 (E_RNA)
where:
Base-Base interactions energy: -644.426
where: short stacking energy: -272.793
Base-Backbone interact. energy: -0.733
local terms energy: -288.693230
where:
bonds (distance) C4'-P energy: -55.122
bonds (distance) P-C4' energy: -55.563
flat angles C4'-P-C4' energy: -63.634
flat angles P-C4'-P energy: -28.055
tors. eta vs tors. theta energy: -86.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -918.725637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.725637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.725637 (E_RNA)
where:
Base-Base interactions energy: -638.707
where: short stacking energy: -275.356
Base-Backbone interact. energy: -1.574
local terms energy: -278.444599
where:
bonds (distance) C4'-P energy: -41.847
bonds (distance) P-C4' energy: -54.745
flat angles C4'-P-C4' energy: -60.007
flat angles P-C4'-P energy: -38.001
tors. eta vs tors. theta energy: -83.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -842.018040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.018040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.018040 (E_RNA)
where:
Base-Base interactions energy: -580.914
where: short stacking energy: -247.462
Base-Backbone interact. energy: -1.145
local terms energy: -259.959180
where:
bonds (distance) C4'-P energy: -47.126
bonds (distance) P-C4' energy: -50.404
flat angles C4'-P-C4' energy: -58.839
flat angles P-C4'-P energy: -37.356
tors. eta vs tors. theta energy: -66.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -807.451715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.451715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.451715 (E_RNA)
where:
Base-Base interactions energy: -551.872
where: short stacking energy: -221.728
Base-Backbone interact. energy: 1.555
local terms energy: -257.135159
where:
bonds (distance) C4'-P energy: -50.831
bonds (distance) P-C4' energy: -49.653
flat angles C4'-P-C4' energy: -51.370
flat angles P-C4'-P energy: -35.662
tors. eta vs tors. theta energy: -69.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -779.326057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.326057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.326057 (E_RNA)
where:
Base-Base interactions energy: -519.039
where: short stacking energy: -216.747
Base-Backbone interact. energy: -1.854
local terms energy: -258.432200
where:
bonds (distance) C4'-P energy: -44.578
bonds (distance) P-C4' energy: -53.392
flat angles C4'-P-C4' energy: -57.649
flat angles P-C4'-P energy: -37.624
tors. eta vs tors. theta energy: -65.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -776.131020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.131020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.131020 (E_RNA)
where:
Base-Base interactions energy: -526.555
where: short stacking energy: -217.268
Base-Backbone interact. energy: -0.031
local terms energy: -249.545754
where:
bonds (distance) C4'-P energy: -45.907
bonds (distance) P-C4' energy: -47.324
flat angles C4'-P-C4' energy: -54.257
flat angles P-C4'-P energy: -40.884
tors. eta vs tors. theta energy: -61.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -718.017273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.017273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.017273 (E_RNA)
where:
Base-Base interactions energy: -500.468
where: short stacking energy: -188.326
Base-Backbone interact. energy: -1.351
local terms energy: -216.197833
where:
bonds (distance) C4'-P energy: -49.676
bonds (distance) P-C4' energy: -47.866
flat angles C4'-P-C4' energy: -41.940
flat angles P-C4'-P energy: -34.629
tors. eta vs tors. theta energy: -42.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -554.462686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.462686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.462686 (E_RNA)
where:
Base-Base interactions energy: -355.708
where: short stacking energy: -150.475
Base-Backbone interact. energy: -1.767
local terms energy: -196.987301
where:
bonds (distance) C4'-P energy: -47.694
bonds (distance) P-C4' energy: -46.553
flat angles C4'-P-C4' energy: -41.171
flat angles P-C4'-P energy: -31.705
tors. eta vs tors. theta energy: -29.865
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: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -226.738839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.738839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.738839 (E_RNA)
where:
Base-Base interactions energy: -72.473
where: short stacking energy: -69.527
Base-Backbone interact. energy: -0.931
local terms energy: -153.335431
where:
bonds (distance) C4'-P energy: -52.484
bonds (distance) P-C4' energy: -46.895
flat angles C4'-P-C4' energy: -39.186
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -945.895096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.895096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.895096 (E_RNA)
where:
Base-Base interactions energy: -646.153
where: short stacking energy: -290.440
Base-Backbone interact. energy: -0.756
local terms energy: -298.985846
where:
bonds (distance) C4'-P energy: -54.408
bonds (distance) P-C4' energy: -55.119
flat angles C4'-P-C4' energy: -59.891
flat angles P-C4'-P energy: -43.747
tors. eta vs tors. theta energy: -85.821
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: 6
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -939.336977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.336977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.336977 (E_RNA)
where:
Base-Base interactions energy: -662.626
where: short stacking energy: -296.216
Base-Backbone interact. energy: -0.619
local terms energy: -276.091984
where:
bonds (distance) C4'-P energy: -48.794
bonds (distance) P-C4' energy: -46.799
flat angles C4'-P-C4' energy: -54.449
flat angles P-C4'-P energy: -37.412
tors. eta vs tors. theta energy: -88.637
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: 184
Temperature: 1.000000
Total energy: -843.956349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.956349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.956349 (E_RNA)
where:
Base-Base interactions energy: -573.854
where: short stacking energy: -255.509
Base-Backbone interact. energy: -0.862
local terms energy: -269.240149
where:
bonds (distance) C4'-P energy: -49.657
bonds (distance) P-C4' energy: -59.969
flat angles C4'-P-C4' energy: -52.135
flat angles P-C4'-P energy: -38.473
tors. eta vs tors. theta energy: -69.006
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: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -888.812569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.812569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.812569 (E_RNA)
where:
Base-Base interactions energy: -611.487
where: short stacking energy: -258.115
Base-Backbone interact. energy: -0.470
local terms energy: -276.855654
where:
bonds (distance) C4'-P energy: -51.572
bonds (distance) P-C4' energy: -52.627
flat angles C4'-P-C4' energy: -55.176
flat angles P-C4'-P energy: -37.528
tors. eta vs tors. theta energy: -79.953
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: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -817.826981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.826981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.826981 (E_RNA)
where:
Base-Base interactions energy: -560.304
where: short stacking energy: -245.986
Base-Backbone interact. energy: -0.822
local terms energy: -256.700878
where:
bonds (distance) C4'-P energy: -52.310
bonds (distance) P-C4' energy: -47.863
flat angles C4'-P-C4' energy: -56.479
flat angles P-C4'-P energy: -30.738
tors. eta vs tors. theta energy: -69.311
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: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -743.806817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.806817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.806817 (E_RNA)
where:
Base-Base interactions energy: -518.182
where: short stacking energy: -212.950
Base-Backbone interact. energy: -0.620
local terms energy: -225.004673
where:
bonds (distance) C4'-P energy: -42.997
bonds (distance) P-C4' energy: -46.991
flat angles C4'-P-C4' energy: -50.744
flat angles P-C4'-P energy: -30.867
tors. eta vs tors. theta energy: -53.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -782.070664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.070664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.070664 (E_RNA)
where:
Base-Base interactions energy: -543.803
where: short stacking energy: -223.373
Base-Backbone interact. energy: 0.436
local terms energy: -238.704000
where:
bonds (distance) C4'-P energy: -47.254
bonds (distance) P-C4' energy: -43.231
flat angles C4'-P-C4' energy: -49.340
flat angles P-C4'-P energy: -40.497
tors. eta vs tors. theta energy: -58.382
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: 8, replica: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -686.487738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.487738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.487738 (E_RNA)
where:
Base-Base interactions energy: -461.237
where: short stacking energy: -193.471
Base-Backbone interact. energy: -0.627
local terms energy: -224.623400
where:
bonds (distance) C4'-P energy: -43.157
bonds (distance) P-C4' energy: -42.429
flat angles C4'-P-C4' energy: -49.822
flat angles P-C4'-P energy: -33.269
tors. eta vs tors. theta energy: -55.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -571.012065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.012065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.012065 (E_RNA)
where:
Base-Base interactions energy: -371.134
where: short stacking energy: -144.551
Base-Backbone interact. energy: -1.008
local terms energy: -198.869982
where:
bonds (distance) C4'-P energy: -45.657
bonds (distance) P-C4' energy: -39.625
flat angles C4'-P-C4' energy: -49.287
flat angles P-C4'-P energy: -29.667
tors. eta vs tors. theta energy: -34.634
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: 184
Temperature: 1.350000
Total energy: -210.471208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.471208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.471208 (E_RNA)
where:
Base-Base interactions energy: -78.293
where: short stacking energy: -59.390
Base-Backbone interact. energy: 0.384
local terms energy: -132.562121
where:
bonds (distance) C4'-P energy: -42.781
bonds (distance) P-C4' energy: -44.447
flat angles C4'-P-C4' energy: -34.694
flat angles P-C4'-P energy: -20.196
tors. eta vs tors. theta energy: 9.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -949.472641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.472641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.472641 (E_RNA)
where:
Base-Base interactions energy: -654.555
where: short stacking energy: -298.042
Base-Backbone interact. energy: -1.280
local terms energy: -293.637768
where:
bonds (distance) C4'-P energy: -53.876
bonds (distance) P-C4' energy: -57.335
flat angles C4'-P-C4' energy: -59.774
flat angles P-C4'-P energy: -33.006
tors. eta vs tors. theta energy: -89.646
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: 6
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -935.094668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.094668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.094668 (E_RNA)
where:
Base-Base interactions energy: -630.131
where: short stacking energy: -272.817
Base-Backbone interact. energy: -0.844
local terms energy: -304.119337
where:
bonds (distance) C4'-P energy: -56.914
bonds (distance) P-C4' energy: -58.167
flat angles C4'-P-C4' energy: -63.964
flat angles P-C4'-P energy: -42.348
tors. eta vs tors. theta energy: -82.726
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: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -891.548740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.548740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.548740 (E_RNA)
where:
Base-Base interactions energy: -636.138
where: short stacking energy: -280.063
Base-Backbone interact. energy: -0.504
local terms energy: -254.907245
where:
bonds (distance) C4'-P energy: -46.858
bonds (distance) P-C4' energy: -38.564
flat angles C4'-P-C4' energy: -47.722
flat angles P-C4'-P energy: -41.118
tors. eta vs tors. theta energy: -80.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -890.800070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.800070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.800070 (E_RNA)
where:
Base-Base interactions energy: -618.330
where: short stacking energy: -254.858
Base-Backbone interact. energy: -0.373
local terms energy: -272.096434
where:
bonds (distance) C4'-P energy: -48.031
bonds (distance) P-C4' energy: -49.930
flat angles C4'-P-C4' energy: -48.474
flat angles P-C4'-P energy: -39.572
tors. eta vs tors. theta energy: -86.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -826.313320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.313320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.313320 (E_RNA)
where:
Base-Base interactions energy: -575.116
where: short stacking energy: -252.551
Base-Backbone interact. energy: -1.248
local terms energy: -249.949644
where:
bonds (distance) C4'-P energy: -45.837
bonds (distance) P-C4' energy: -40.099
flat angles C4'-P-C4' energy: -54.178
flat angles P-C4'-P energy: -40.060
tors. eta vs tors. theta energy: -69.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -776.514058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.514058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.514058 (E_RNA)
where:
Base-Base interactions energy: -531.465
where: short stacking energy: -216.243
Base-Backbone interact. energy: 0.001
local terms energy: -245.049779
where:
bonds (distance) C4'-P energy: -43.092
bonds (distance) P-C4' energy: -47.298
flat angles C4'-P-C4' energy: -60.576
flat angles P-C4'-P energy: -25.176
tors. eta vs tors. theta energy: -68.908
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: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -732.362457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.362457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.362457 (E_RNA)
where:
Base-Base interactions energy: -503.714
where: short stacking energy: -199.893
Base-Backbone interact. energy: -0.468
local terms energy: -228.180431
where:
bonds (distance) C4'-P energy: -44.953
bonds (distance) P-C4' energy: -36.885
flat angles C4'-P-C4' energy: -55.762
flat angles P-C4'-P energy: -36.306
tors. eta vs tors. theta energy: -54.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -719.621172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.621172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.621172 (E_RNA)
where:
Base-Base interactions energy: -482.706
where: short stacking energy: -189.637
Base-Backbone interact. energy: -0.692
local terms energy: -236.222800
where:
bonds (distance) C4'-P energy: -51.860
bonds (distance) P-C4' energy: -46.160
flat angles C4'-P-C4' energy: -53.634
flat angles P-C4'-P energy: -33.288
tors. eta vs tors. theta energy: -51.280
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: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -554.173525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.173525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.173525 (E_RNA)
where:
Base-Base interactions energy: -343.816
where: short stacking energy: -146.856
Base-Backbone interact. energy: -0.509
local terms energy: -209.848034
where:
bonds (distance) C4'-P energy: -47.619
bonds (distance) P-C4' energy: -45.872
flat angles C4'-P-C4' energy: -43.515
flat angles P-C4'-P energy: -37.013
tors. eta vs tors. theta energy: -35.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -231.055229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.055229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.055229 (E_RNA)
where:
Base-Base interactions energy: -87.050
where: short stacking energy: -60.282
Base-Backbone interact. energy: 0.531
local terms energy: -144.536600
where:
bonds (distance) C4'-P energy: -44.244
bonds (distance) P-C4' energy: -46.336
flat angles C4'-P-C4' energy: -35.093
flat angles P-C4'-P energy: -23.747
tors. eta vs tors. theta energy: 4.884
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: 6
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -961.854434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.854434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.854434 (E_RNA)
where:
Base-Base interactions energy: -667.196
where: short stacking energy: -288.302
Base-Backbone interact. energy: 0.761
local terms energy: -295.419128
where:
bonds (distance) C4'-P energy: -52.394
bonds (distance) P-C4' energy: -50.673
flat angles C4'-P-C4' energy: -59.404
flat angles P-C4'-P energy: -42.868
tors. eta vs tors. theta energy: -90.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -961.451442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.451442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.451442 (E_RNA)
where:
Base-Base interactions energy: -665.523
where: short stacking energy: -306.015
Base-Backbone interact. energy: -0.324
local terms energy: -295.604580
where:
bonds (distance) C4'-P energy: -47.714
bonds (distance) P-C4' energy: -58.906
flat angles C4'-P-C4' energy: -57.799
flat angles P-C4'-P energy: -39.480
tors. eta vs tors. theta energy: -91.706
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: 3, replica: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -881.487970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.487970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.487970 (E_RNA)
where:
Base-Base interactions energy: -604.018
where: short stacking energy: -260.933
Base-Backbone interact. energy: 6.167
local terms energy: -283.636297
where:
bonds (distance) C4'-P energy: -47.212
bonds (distance) P-C4' energy: -59.286
flat angles C4'-P-C4' energy: -59.372
flat angles P-C4'-P energy: -45.498
tors. eta vs tors. theta energy: -72.269
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: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -867.411648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.411648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.411648 (E_RNA)
where:
Base-Base interactions energy: -610.692
where: short stacking energy: -257.689
Base-Backbone interact. energy: -0.556
local terms energy: -256.163200
where:
bonds (distance) C4'-P energy: -42.420
bonds (distance) P-C4' energy: -48.212
flat angles C4'-P-C4' energy: -52.995
flat angles P-C4'-P energy: -36.347
tors. eta vs tors. theta energy: -76.190
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: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -824.167844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.167844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.167844 (E_RNA)
where:
Base-Base interactions energy: -573.502
where: short stacking energy: -255.855
Base-Backbone interact. energy: -1.404
local terms energy: -249.261639
where:
bonds (distance) C4'-P energy: -47.405
bonds (distance) P-C4' energy: -42.137
flat angles C4'-P-C4' energy: -50.583
flat angles P-C4'-P energy: -42.890
tors. eta vs tors. theta energy: -66.247
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: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -751.002974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.002974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.002974 (E_RNA)
where:
Base-Base interactions energy: -516.323
where: short stacking energy: -209.971
Base-Backbone interact. energy: 0.015
local terms energy: -234.695185
where:
bonds (distance) C4'-P energy: -43.901
bonds (distance) P-C4' energy: -52.710
flat angles C4'-P-C4' energy: -51.945
flat angles P-C4'-P energy: -25.878
tors. eta vs tors. theta energy: -60.261
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: 186
Temperature: 1.200000
Total energy: -744.078532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.078532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.078532 (E_RNA)
where:
Base-Base interactions energy: -501.673
where: short stacking energy: -179.906
Base-Backbone interact. energy: 3.902
local terms energy: -246.307342
where:
bonds (distance) C4'-P energy: -51.236
bonds (distance) P-C4' energy: -61.704
flat angles C4'-P-C4' energy: -51.106
flat angles P-C4'-P energy: -26.234
tors. eta vs tors. theta energy: -56.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -698.795065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.795065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.795065 (E_RNA)
where:
Base-Base interactions energy: -477.550
where: short stacking energy: -215.034
Base-Backbone interact. energy: 1.373
local terms energy: -222.618155
where:
bonds (distance) C4'-P energy: -41.193
bonds (distance) P-C4' energy: -44.510
flat angles C4'-P-C4' energy: -54.943
flat angles P-C4'-P energy: -22.894
tors. eta vs tors. theta energy: -59.078
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: 9, replica: 7
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -544.006246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.006246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.006246 (E_RNA)
where:
Base-Base interactions energy: -358.374
where: short stacking energy: -130.487
Base-Backbone interact. energy: -1.825
local terms energy: -183.807406
where:
bonds (distance) C4'-P energy: -50.221
bonds (distance) P-C4' energy: -42.986
flat angles C4'-P-C4' energy: -41.572
flat angles P-C4'-P energy: -29.165
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: 186
Temperature: 1.350000
Total energy: -239.369946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.369946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.369946 (E_RNA)
where:
Base-Base interactions energy: -107.106
where: short stacking energy: -68.103
Base-Backbone interact. energy: -1.925
local terms energy: -130.339896
where:
bonds (distance) C4'-P energy: -37.449
bonds (distance) P-C4' energy: -43.825
flat angles C4'-P-C4' energy: -35.660
flat angles P-C4'-P energy: -17.722
tors. eta vs tors. theta energy: 4.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -956.892045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.892045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.892045 (E_RNA)
where:
Base-Base interactions energy: -663.668
where: short stacking energy: -287.167
Base-Backbone interact. energy: 1.197
local terms energy: -294.420916
where:
bonds (distance) C4'-P energy: -53.088
bonds (distance) P-C4' energy: -49.903
flat angles C4'-P-C4' energy: -59.426
flat angles P-C4'-P energy: -42.694
tors. eta vs tors. theta energy: -89.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -899.485682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.485682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.485682 (E_RNA)
where:
Base-Base interactions energy: -612.857
where: short stacking energy: -260.288
Base-Backbone interact. energy: -0.718
local terms energy: -285.911210
where:
bonds (distance) C4'-P energy: -45.186
bonds (distance) P-C4' energy: -59.495
flat angles C4'-P-C4' energy: -55.973
flat angles P-C4'-P energy: -43.247
tors. eta vs tors. theta energy: -82.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -928.473463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.473463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.473463 (E_RNA)
where:
Base-Base interactions energy: -646.798
where: short stacking energy: -281.958
Base-Backbone interact. energy: -0.072
local terms energy: -281.603084
where:
bonds (distance) C4'-P energy: -47.181
bonds (distance) P-C4' energy: -50.708
flat angles C4'-P-C4' energy: -56.981
flat angles P-C4'-P energy: -40.837
tors. eta vs tors. theta energy: -85.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -865.879754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.879754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.879754 (E_RNA)
where:
Base-Base interactions energy: -598.020
where: short stacking energy: -252.970
Base-Backbone interact. energy: -0.357
local terms energy: -267.502506
where:
bonds (distance) C4'-P energy: -45.455
bonds (distance) P-C4' energy: -56.700
flat angles C4'-P-C4' energy: -50.186
flat angles P-C4'-P energy: -32.305
tors. eta vs tors. theta energy: -82.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -806.189835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.189835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.189835 (E_RNA)
where:
Base-Base interactions energy: -537.571
where: short stacking energy: -239.673
Base-Backbone interact. energy: -1.218
local terms energy: -267.400990
where:
bonds (distance) C4'-P energy: -43.183
bonds (distance) P-C4' energy: -56.261
flat angles C4'-P-C4' energy: -52.153
flat angles P-C4'-P energy: -40.449
tors. eta vs tors. theta energy: -75.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -775.985907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.985907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.985907 (E_RNA)
where:
Base-Base interactions energy: -551.147
where: short stacking energy: -233.316
Base-Backbone interact. energy: -2.125
local terms energy: -222.713570
where:
bonds (distance) C4'-P energy: -44.883
bonds (distance) P-C4' energy: -47.643
flat angles C4'-P-C4' energy: -46.789
flat angles P-C4'-P energy: -30.337
tors. eta vs tors. theta energy: -53.061
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: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -734.820672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.820672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.820672 (E_RNA)
where:
Base-Base interactions energy: -501.557
where: short stacking energy: -192.292
Base-Backbone interact. energy: -0.580
local terms energy: -232.683595
where:
bonds (distance) C4'-P energy: -47.616
bonds (distance) P-C4' energy: -50.606
flat angles C4'-P-C4' energy: -44.676
flat angles P-C4'-P energy: -32.915
tors. eta vs tors. theta energy: -56.871
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: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -724.514555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.514555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.514555 (E_RNA)
where:
Base-Base interactions energy: -497.093
where: short stacking energy: -215.351
Base-Backbone interact. energy: -0.244
local terms energy: -227.178001
where:
bonds (distance) C4'-P energy: -42.540
bonds (distance) P-C4' energy: -48.712
flat angles C4'-P-C4' energy: -53.616
flat angles P-C4'-P energy: -26.881
tors. eta vs tors. theta energy: -55.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -536.739219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.739219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.739219 (E_RNA)
where:
Base-Base interactions energy: -351.441
where: short stacking energy: -141.150
Base-Backbone interact. energy: -0.145
local terms energy: -185.153626
where:
bonds (distance) C4'-P energy: -42.653
bonds (distance) P-C4' energy: -44.730
flat angles C4'-P-C4' energy: -40.873
flat angles P-C4'-P energy: -26.900
tors. eta vs tors. theta energy: -29.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -279.896916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.896916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.896916 (E_RNA)
where:
Base-Base interactions energy: -140.422
where: short stacking energy: -81.838
Base-Backbone interact. energy: -1.904
local terms energy: -137.571372
where:
bonds (distance) C4'-P energy: -38.473
bonds (distance) P-C4' energy: -43.713
flat angles C4'-P-C4' energy: -31.413
flat angles P-C4'-P energy: -27.855
tors. eta vs tors. theta energy: 3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -966.895681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.895681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.895681 (E_RNA)
where:
Base-Base interactions energy: -666.922
where: short stacking energy: -292.163
Base-Backbone interact. energy: -0.935
local terms energy: -299.038177
where:
bonds (distance) C4'-P energy: -49.581
bonds (distance) P-C4' energy: -55.079
flat angles C4'-P-C4' energy: -62.279
flat angles P-C4'-P energy: -42.783
tors. eta vs tors. theta energy: -89.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -917.883965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.883965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.883965 (E_RNA)
where:
Base-Base interactions energy: -625.141
where: short stacking energy: -285.707
Base-Backbone interact. energy: -0.570
local terms energy: -292.173255
where:
bonds (distance) C4'-P energy: -52.936
bonds (distance) P-C4' energy: -54.185
flat angles C4'-P-C4' energy: -55.118
flat angles P-C4'-P energy: -44.693
tors. eta vs tors. theta energy: -85.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -917.558010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.558010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.558010 (E_RNA)
where:
Base-Base interactions energy: -630.805
where: short stacking energy: -278.017
Base-Backbone interact. energy: -0.651
local terms energy: -286.102193
where:
bonds (distance) C4'-P energy: -49.217
bonds (distance) P-C4' energy: -49.466
flat angles C4'-P-C4' energy: -60.497
flat angles P-C4'-P energy: -37.678
tors. eta vs tors. theta energy: -89.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -847.586157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.586157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.586157 (E_RNA)
where:
Base-Base interactions energy: -569.085
where: short stacking energy: -243.726
Base-Backbone interact. energy: -0.214
local terms energy: -278.286723
where:
bonds (distance) C4'-P energy: -51.284
bonds (distance) P-C4' energy: -50.098
flat angles C4'-P-C4' energy: -61.176
flat angles P-C4'-P energy: -42.815
tors. eta vs tors. theta energy: -72.913
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: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -817.086297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.086297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.086297 (E_RNA)
where:
Base-Base interactions energy: -552.873
where: short stacking energy: -243.793
Base-Backbone interact. energy: -0.749
local terms energy: -263.464349
where:
bonds (distance) C4'-P energy: -50.190
bonds (distance) P-C4' energy: -45.132
flat angles C4'-P-C4' energy: -58.184
flat angles P-C4'-P energy: -41.472
tors. eta vs tors. theta energy: -68.487
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: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -777.495562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.495562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.495562 (E_RNA)
where:
Base-Base interactions energy: -533.931
where: short stacking energy: -239.357
Base-Backbone interact. energy: -0.408
local terms energy: -243.155805
where:
bonds (distance) C4'-P energy: -41.161
bonds (distance) P-C4' energy: -50.380
flat angles C4'-P-C4' energy: -40.563
flat angles P-C4'-P energy: -43.895
tors. eta vs tors. theta energy: -67.157
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: 9
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -783.165990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.165990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.165990 (E_RNA)
where:
Base-Base interactions energy: -534.993
where: short stacking energy: -231.802
Base-Backbone interact. energy: -1.402
local terms energy: -246.770347
where:
bonds (distance) C4'-P energy: -47.665
bonds (distance) P-C4' energy: -42.085
flat angles C4'-P-C4' energy: -53.161
flat angles P-C4'-P energy: -34.206
tors. eta vs tors. theta energy: -69.653
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: 188
Temperature: 1.250000
Total energy: -733.945623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.945623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.945623 (E_RNA)
where:
Base-Base interactions energy: -510.054
where: short stacking energy: -208.687
Base-Backbone interact. energy: 2.440
local terms energy: -226.330947
where:
bonds (distance) C4'-P energy: -47.096
bonds (distance) P-C4' energy: -39.941
flat angles C4'-P-C4' energy: -47.930
flat angles P-C4'-P energy: -31.680
tors. eta vs tors. theta energy: -59.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -518.198399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.198399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.198399 (E_RNA)
where:
Base-Base interactions energy: -333.091
where: short stacking energy: -146.456
Base-Backbone interact. energy: -0.171
local terms energy: -184.936215
where:
bonds (distance) C4'-P energy: -44.548
bonds (distance) P-C4' energy: -47.561
flat angles C4'-P-C4' energy: -39.739
flat angles P-C4'-P energy: -30.222
tors. eta vs tors. theta energy: -22.866
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: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -336.678988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.678988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.678988 (E_RNA)
where:
Base-Base interactions energy: -185.953
where: short stacking energy: -102.148
Base-Backbone interact. energy: 2.643
local terms energy: -153.368147
where:
bonds (distance) C4'-P energy: -38.596
bonds (distance) P-C4' energy: -30.766
flat angles C4'-P-C4' energy: -45.092
flat angles P-C4'-P energy: -31.924
tors. eta vs tors. theta energy: -6.990
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: 6
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -976.076087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.076087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.076087 (E_RNA)
where:
Base-Base interactions energy: -686.505
where: short stacking energy: -302.709
Base-Backbone interact. energy: 0.285
local terms energy: -289.856667
where:
bonds (distance) C4'-P energy: -49.595
bonds (distance) P-C4' energy: -52.839
flat angles C4'-P-C4' energy: -57.008
flat angles P-C4'-P energy: -40.063
tors. eta vs tors. theta energy: -90.353
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: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -932.223654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.223654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.223654 (E_RNA)
where:
Base-Base interactions energy: -632.800
where: short stacking energy: -283.005
Base-Backbone interact. energy: 1.719
local terms energy: -301.142875
where:
bonds (distance) C4'-P energy: -54.678
bonds (distance) P-C4' energy: -54.532
flat angles C4'-P-C4' energy: -62.343
flat angles P-C4'-P energy: -43.668
tors. eta vs tors. theta energy: -85.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -874.560560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.560560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.560560 (E_RNA)
where:
Base-Base interactions energy: -593.220
where: short stacking energy: -266.703
Base-Backbone interact. energy: 1.753
local terms energy: -283.093489
where:
bonds (distance) C4'-P energy: -53.039
bonds (distance) P-C4' energy: -55.505
flat angles C4'-P-C4' energy: -59.780
flat angles P-C4'-P energy: -36.684
tors. eta vs tors. theta energy: -78.085
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: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -861.465157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.465157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.465157 (E_RNA)
where:
Base-Base interactions energy: -597.066
where: short stacking energy: -254.316
Base-Backbone interact. energy: -1.054
local terms energy: -263.345365
where:
bonds (distance) C4'-P energy: -50.210
bonds (distance) P-C4' energy: -48.791
flat angles C4'-P-C4' energy: -55.794
flat angles P-C4'-P energy: -33.481
tors. eta vs tors. theta energy: -75.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -809.910400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.910400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.910400 (E_RNA)
where:
Base-Base interactions energy: -559.519
where: short stacking energy: -243.565
Base-Backbone interact. energy: -1.800
local terms energy: -248.591413
where:
bonds (distance) C4'-P energy: -43.590
bonds (distance) P-C4' energy: -47.756
flat angles C4'-P-C4' energy: -55.341
flat angles P-C4'-P energy: -45.056
tors. eta vs tors. theta energy: -56.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -797.391508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.391508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.391508 (E_RNA)
where:
Base-Base interactions energy: -537.295
where: short stacking energy: -222.667
Base-Backbone interact. energy: -0.407
local terms energy: -259.688991
where:
bonds (distance) C4'-P energy: -48.938
bonds (distance) P-C4' energy: -55.003
flat angles C4'-P-C4' energy: -55.149
flat angles P-C4'-P energy: -28.474
tors. eta vs tors. theta energy: -72.124
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: 7, replica: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -765.817926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.817926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.817926 (E_RNA)
where:
Base-Base interactions energy: -505.270
where: short stacking energy: -209.652
Base-Backbone interact. energy: -0.860
local terms energy: -259.688305
where:
bonds (distance) C4'-P energy: -51.769
bonds (distance) P-C4' energy: -55.425
flat angles C4'-P-C4' energy: -53.265
flat angles P-C4'-P energy: -35.164
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: 8, replica: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -703.732534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.732534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.732534 (E_RNA)
where:
Base-Base interactions energy: -499.092
where: short stacking energy: -188.717
Base-Backbone interact. energy: -0.577
local terms energy: -204.063722
where:
bonds (distance) C4'-P energy: -44.359
bonds (distance) P-C4' energy: -28.645
flat angles C4'-P-C4' energy: -46.786
flat angles P-C4'-P energy: -38.601
tors. eta vs tors. theta energy: -45.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -504.510551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.510551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.510551 (E_RNA)
where:
Base-Base interactions energy: -306.245
where: short stacking energy: -138.644
Base-Backbone interact. energy: -0.675
local terms energy: -197.589683
where:
bonds (distance) C4'-P energy: -48.398
bonds (distance) P-C4' energy: -39.466
flat angles C4'-P-C4' energy: -52.319
flat angles P-C4'-P energy: -29.366
tors. eta vs tors. theta energy: -28.041
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: 189
Temperature: 1.350000
Total energy: -346.126745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.126745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.126745 (E_RNA)
where:
Base-Base interactions energy: -213.856
where: short stacking energy: -109.569
Base-Backbone interact. energy: 2.041
local terms energy: -134.312338
where:
bonds (distance) C4'-P energy: -33.644
bonds (distance) P-C4' energy: -51.194
flat angles C4'-P-C4' energy: -32.601
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -4.390
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: 190
Temperature: 0.900000
Total energy: -952.020892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.020892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.020892 (E_RNA)
where:
Base-Base interactions energy: -656.098
where: short stacking energy: -290.042
Base-Backbone interact. energy: -1.058
local terms energy: -294.864521
where:
bonds (distance) C4'-P energy: -50.568
bonds (distance) P-C4' energy: -55.534
flat angles C4'-P-C4' energy: -61.257
flat angles P-C4'-P energy: -37.948
tors. eta vs tors. theta energy: -89.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -951.479704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.479704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.479704 (E_RNA)
where:
Base-Base interactions energy: -663.806
where: short stacking energy: -286.252
Base-Backbone interact. energy: -1.320
local terms energy: -286.353422
where:
bonds (distance) C4'-P energy: -49.520
bonds (distance) P-C4' energy: -49.119
flat angles C4'-P-C4' energy: -58.231
flat angles P-C4'-P energy: -44.793
tors. eta vs tors. theta energy: -84.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -898.256406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.256406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.256406 (E_RNA)
where:
Base-Base interactions energy: -618.348
where: short stacking energy: -277.136
Base-Backbone interact. energy: -0.593
local terms energy: -279.315574
where:
bonds (distance) C4'-P energy: -45.652
bonds (distance) P-C4' energy: -49.713
flat angles C4'-P-C4' energy: -55.226
flat angles P-C4'-P energy: -42.642
tors. eta vs tors. theta energy: -86.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -854.051634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.051634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.051634 (E_RNA)
where:
Base-Base interactions energy: -593.014
where: short stacking energy: -263.074
Base-Backbone interact. energy: -0.509
local terms energy: -260.527887
where:
bonds (distance) C4'-P energy: -42.278
bonds (distance) P-C4' energy: -49.031
flat angles C4'-P-C4' energy: -64.006
flat angles P-C4'-P energy: -32.197
tors. eta vs tors. theta energy: -73.016
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: 5, replica: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -836.459106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.459106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.459106 (E_RNA)
where:
Base-Base interactions energy: -580.842
where: short stacking energy: -245.630
Base-Backbone interact. energy: -1.806
local terms energy: -253.810378
where:
bonds (distance) C4'-P energy: -45.744
bonds (distance) P-C4' energy: -45.417
flat angles C4'-P-C4' energy: -53.412
flat angles P-C4'-P energy: -38.556
tors. eta vs tors. theta energy: -70.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -790.909233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.909233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.909233 (E_RNA)
where:
Base-Base interactions energy: -557.302
where: short stacking energy: -244.524
Base-Backbone interact. energy: -1.157
local terms energy: -232.451172
where:
bonds (distance) C4'-P energy: -39.595
bonds (distance) P-C4' energy: -35.832
flat angles C4'-P-C4' energy: -51.727
flat angles P-C4'-P energy: -41.349
tors. eta vs tors. theta energy: -63.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -747.554782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.554782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.554782 (E_RNA)
where:
Base-Base interactions energy: -533.053
where: short stacking energy: -220.959
Base-Backbone interact. energy: -0.608
local terms energy: -213.893577
where:
bonds (distance) C4'-P energy: -38.353
bonds (distance) P-C4' energy: -50.337
flat angles C4'-P-C4' energy: -45.024
flat angles P-C4'-P energy: -21.980
tors. eta vs tors. theta energy: -58.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -740.483458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.483458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.483458 (E_RNA)
where:
Base-Base interactions energy: -507.727
where: short stacking energy: -215.750
Base-Backbone interact. energy: -0.469
local terms energy: -232.287401
where:
bonds (distance) C4'-P energy: -46.027
bonds (distance) P-C4' energy: -53.201
flat angles C4'-P-C4' energy: -46.311
flat angles P-C4'-P energy: -31.367
tors. eta vs tors. theta energy: -55.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -561.221518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.221518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.221518 (E_RNA)
where:
Base-Base interactions energy: -386.034
where: short stacking energy: -179.005
Base-Backbone interact. energy: 0.436
local terms energy: -175.623197
where:
bonds (distance) C4'-P energy: -31.790
bonds (distance) P-C4' energy: -37.495
flat angles C4'-P-C4' energy: -45.318
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -43.417
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: 190
Temperature: 1.350000
Total energy: -365.263652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.263652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.263652 (E_RNA)
where:
Base-Base interactions energy: -203.600
where: short stacking energy: -102.329
Base-Backbone interact. energy: 0.860
local terms energy: -162.524038
where:
bonds (distance) C4'-P energy: -46.897
bonds (distance) P-C4' energy: -43.797
flat angles C4'-P-C4' energy: -39.098
flat angles P-C4'-P energy: -27.915
tors. eta vs tors. theta energy: -4.817
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: 191
Temperature: 0.900000
Total energy: -943.648473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.648473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.648473 (E_RNA)
where:
Base-Base interactions energy: -632.518
where: short stacking energy: -280.066
Base-Backbone interact. energy: -1.235
local terms energy: -309.895547
where:
bonds (distance) C4'-P energy: -52.196
bonds (distance) P-C4' energy: -53.409
flat angles C4'-P-C4' energy: -64.504
flat angles P-C4'-P energy: -51.942
tors. eta vs tors. theta energy: -87.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -942.424613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.424613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.424613 (E_RNA)
where:
Base-Base interactions energy: -647.187
where: short stacking energy: -295.811
Base-Backbone interact. energy: -0.630
local terms energy: -294.608260
where:
bonds (distance) C4'-P energy: -54.143
bonds (distance) P-C4' energy: -48.351
flat angles C4'-P-C4' energy: -59.951
flat angles P-C4'-P energy: -43.288
tors. eta vs tors. theta energy: -88.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -900.728584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.728584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.728584 (E_RNA)
where:
Base-Base interactions energy: -620.154
where: short stacking energy: -273.392
Base-Backbone interact. energy: -0.577
local terms energy: -279.997835
where:
bonds (distance) C4'-P energy: -46.321
bonds (distance) P-C4' energy: -55.151
flat angles C4'-P-C4' energy: -55.416
flat angles P-C4'-P energy: -43.730
tors. eta vs tors. theta energy: -79.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -869.112882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.112882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.112882 (E_RNA)
where:
Base-Base interactions energy: -611.303
where: short stacking energy: -267.180
Base-Backbone interact. energy: -0.378
local terms energy: -257.432033
where:
bonds (distance) C4'-P energy: -38.971
bonds (distance) P-C4' energy: -54.066
flat angles C4'-P-C4' energy: -52.419
flat angles P-C4'-P energy: -37.873
tors. eta vs tors. theta energy: -74.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -835.032418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.032418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.032418 (E_RNA)
where:
Base-Base interactions energy: -573.811
where: short stacking energy: -250.011
Base-Backbone interact. energy: -0.089
local terms energy: -261.132753
where:
bonds (distance) C4'-P energy: -34.409
bonds (distance) P-C4' energy: -55.560
flat angles C4'-P-C4' energy: -53.830
flat angles P-C4'-P energy: -44.605
tors. eta vs tors. theta energy: -72.729
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: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -813.314849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.314849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.314849 (E_RNA)
where:
Base-Base interactions energy: -555.625
where: short stacking energy: -254.523
Base-Backbone interact. energy: -1.771
local terms energy: -255.918606
where:
bonds (distance) C4'-P energy: -45.041
bonds (distance) P-C4' energy: -53.013
flat angles C4'-P-C4' energy: -48.642
flat angles P-C4'-P energy: -31.795
tors. eta vs tors. theta energy: -77.428
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: 191
Temperature: 1.200000
Total energy: -736.255626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.255626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.255626 (E_RNA)
where:
Base-Base interactions energy: -513.560
where: short stacking energy: -220.830
Base-Backbone interact. energy: -0.993
local terms energy: -221.703038
where:
bonds (distance) C4'-P energy: -35.410
bonds (distance) P-C4' energy: -45.015
flat angles C4'-P-C4' energy: -45.142
flat angles P-C4'-P energy: -31.626
tors. eta vs tors. theta energy: -64.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -715.283116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.283116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.283116 (E_RNA)
where:
Base-Base interactions energy: -479.737
where: short stacking energy: -215.744
Base-Backbone interact. energy: -0.638
local terms energy: -234.908287
where:
bonds (distance) C4'-P energy: -34.888
bonds (distance) P-C4' energy: -52.062
flat angles C4'-P-C4' energy: -51.092
flat angles P-C4'-P energy: -35.952
tors. eta vs tors. theta energy: -60.915
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: 9, replica: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -552.366160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.366160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.366160 (E_RNA)
where:
Base-Base interactions energy: -334.920
where: short stacking energy: -146.501
Base-Backbone interact. energy: -1.414
local terms energy: -216.032513
where:
bonds (distance) C4'-P energy: -50.216
bonds (distance) P-C4' energy: -41.393
flat angles C4'-P-C4' energy: -47.730
flat angles P-C4'-P energy: -35.475
tors. eta vs tors. theta energy: -41.219
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: 191
Temperature: 1.350000
Total energy: -353.009734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.009734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.009734 (E_RNA)
where:
Base-Base interactions energy: -188.519
where: short stacking energy: -111.274
Base-Backbone interact. energy: -0.340
local terms energy: -164.150409
where:
bonds (distance) C4'-P energy: -43.259
bonds (distance) P-C4' energy: -26.916
flat angles C4'-P-C4' energy: -47.338
flat angles P-C4'-P energy: -30.695
tors. eta vs tors. theta energy: -15.942
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: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -941.874912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.874912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.874912 (E_RNA)
where:
Base-Base interactions energy: -629.788
where: short stacking energy: -292.645
Base-Backbone interact. energy: -0.946
local terms energy: -311.141072
where:
bonds (distance) C4'-P energy: -57.378
bonds (distance) P-C4' energy: -58.399
flat angles C4'-P-C4' energy: -64.478
flat angles P-C4'-P energy: -47.944
tors. eta vs tors. theta energy: -82.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -943.158560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.158560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.158560 (E_RNA)
where:
Base-Base interactions energy: -652.422
where: short stacking energy: -287.809
Base-Backbone interact. energy: -0.429
local terms energy: -290.307286
where:
bonds (distance) C4'-P energy: -43.734
bonds (distance) P-C4' energy: -59.019
flat angles C4'-P-C4' energy: -56.922
flat angles P-C4'-P energy: -38.549
tors. eta vs tors. theta energy: -92.084
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: 192
Temperature: 1.000000
Total energy: -899.580012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.580012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.580012 (E_RNA)
where:
Base-Base interactions energy: -612.568
where: short stacking energy: -271.043
Base-Backbone interact. energy: -1.722
local terms energy: -285.289256
where:
bonds (distance) C4'-P energy: -49.525
bonds (distance) P-C4' energy: -54.571
flat angles C4'-P-C4' energy: -58.775
flat angles P-C4'-P energy: -42.394
tors. eta vs tors. theta energy: -80.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -856.984706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.984706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.984706 (E_RNA)
where:
Base-Base interactions energy: -575.492
where: short stacking energy: -243.365
Base-Backbone interact. energy: 1.144
local terms energy: -282.636838
where:
bonds (distance) C4'-P energy: -53.327
bonds (distance) P-C4' energy: -56.823
flat angles C4'-P-C4' energy: -54.589
flat angles P-C4'-P energy: -44.616
tors. eta vs tors. theta energy: -73.282
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: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -799.552927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.552927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.552927 (E_RNA)
where:
Base-Base interactions energy: -543.737
where: short stacking energy: -236.264
Base-Backbone interact. energy: -1.403
local terms energy: -254.412889
where:
bonds (distance) C4'-P energy: -52.538
bonds (distance) P-C4' energy: -49.236
flat angles C4'-P-C4' energy: -56.469
flat angles P-C4'-P energy: -37.265
tors. eta vs tors. theta energy: -58.904
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: 4
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -805.170614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.170614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.170614 (E_RNA)
where:
Base-Base interactions energy: -555.388
where: short stacking energy: -245.707
Base-Backbone interact. energy: -0.803
local terms energy: -248.980235
where:
bonds (distance) C4'-P energy: -42.178
bonds (distance) P-C4' energy: -51.093
flat angles C4'-P-C4' energy: -50.773
flat angles P-C4'-P energy: -35.307
tors. eta vs tors. theta energy: -69.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -771.116959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.116959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.116959 (E_RNA)
where:
Base-Base interactions energy: -511.118
where: short stacking energy: -202.837
Base-Backbone interact. energy: -0.606
local terms energy: -259.393750
where:
bonds (distance) C4'-P energy: -47.223
bonds (distance) P-C4' energy: -48.654
flat angles C4'-P-C4' energy: -58.848
flat angles P-C4'-P energy: -42.042
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: 8, replica: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -710.892370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.892370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.892370 (E_RNA)
where:
Base-Base interactions energy: -493.908
where: short stacking energy: -209.849
Base-Backbone interact. energy: -0.188
local terms energy: -216.796114
where:
bonds (distance) C4'-P energy: -47.703
bonds (distance) P-C4' energy: -35.601
flat angles C4'-P-C4' energy: -52.912
flat angles P-C4'-P energy: -31.257
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: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -540.574942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.574942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.574942 (E_RNA)
where:
Base-Base interactions energy: -347.214
where: short stacking energy: -142.973
Base-Backbone interact. energy: -0.417
local terms energy: -192.943700
where:
bonds (distance) C4'-P energy: -28.680
bonds (distance) P-C4' energy: -45.745
flat angles C4'-P-C4' energy: -48.352
flat angles P-C4'-P energy: -35.173
tors. eta vs tors. theta energy: -34.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -358.518050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.518050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.518050 (E_RNA)
where:
Base-Base interactions energy: -188.005
where: short stacking energy: -106.851
Base-Backbone interact. energy: 0.037
local terms energy: -170.549886
where:
bonds (distance) C4'-P energy: -56.474
bonds (distance) P-C4' energy: -48.254
flat angles C4'-P-C4' energy: -33.025
flat angles P-C4'-P energy: -20.000
tors. eta vs tors. theta energy: -12.797
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: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -944.811553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.811553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.811553 (E_RNA)
where:
Base-Base interactions energy: -649.223
where: short stacking energy: -287.137
Base-Backbone interact. energy: -1.167
local terms energy: -294.421221
where:
bonds (distance) C4'-P energy: -60.873
bonds (distance) P-C4' energy: -54.640
flat angles C4'-P-C4' energy: -56.214
flat angles P-C4'-P energy: -39.960
tors. eta vs tors. theta energy: -82.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -958.501221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.501221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.501221 (E_RNA)
where:
Base-Base interactions energy: -667.555
where: short stacking energy: -296.927
Base-Backbone interact. energy: -1.382
local terms energy: -289.563690
where:
bonds (distance) C4'-P energy: -49.951
bonds (distance) P-C4' energy: -49.331
flat angles C4'-P-C4' energy: -62.636
flat angles P-C4'-P energy: -41.624
tors. eta vs tors. theta energy: -86.022
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: 193
Temperature: 1.000000
Total energy: -913.823221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.823221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.823221 (E_RNA)
where:
Base-Base interactions energy: -624.356
where: short stacking energy: -296.042
Base-Backbone interact. energy: -0.227
local terms energy: -289.240400
where:
bonds (distance) C4'-P energy: -43.578
bonds (distance) P-C4' energy: -53.071
flat angles C4'-P-C4' energy: -62.485
flat angles P-C4'-P energy: -43.316
tors. eta vs tors. theta energy: -86.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -876.983653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.983653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.983653 (E_RNA)
where:
Base-Base interactions energy: -612.152
where: short stacking energy: -270.553
Base-Backbone interact. energy: -1.251
local terms energy: -263.580102
where:
bonds (distance) C4'-P energy: -45.935
bonds (distance) P-C4' energy: -49.652
flat angles C4'-P-C4' energy: -51.762
flat angles P-C4'-P energy: -33.467
tors. eta vs tors. theta energy: -82.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -819.937807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.937807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.937807 (E_RNA)
where:
Base-Base interactions energy: -546.232
where: short stacking energy: -262.690
Base-Backbone interact. energy: -0.660
local terms energy: -273.046711
where:
bonds (distance) C4'-P energy: -47.495
bonds (distance) P-C4' energy: -51.821
flat angles C4'-P-C4' energy: -61.097
flat angles P-C4'-P energy: -40.281
tors. eta vs tors. theta energy: -72.353
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: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -800.598622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.598622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.598622 (E_RNA)
where:
Base-Base interactions energy: -557.465
where: short stacking energy: -219.959
Base-Backbone interact. energy: -0.456
local terms energy: -242.678082
where:
bonds (distance) C4'-P energy: -42.894
bonds (distance) P-C4' energy: -49.052
flat angles C4'-P-C4' energy: -51.801
flat angles P-C4'-P energy: -28.516
tors. eta vs tors. theta energy: -70.415
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: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -772.945994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.945994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.945994 (E_RNA)
where:
Base-Base interactions energy: -535.448
where: short stacking energy: -236.616
Base-Backbone interact. energy: -0.481
local terms energy: -237.016166
where:
bonds (distance) C4'-P energy: -30.236
bonds (distance) P-C4' energy: -51.020
flat angles C4'-P-C4' energy: -52.642
flat angles P-C4'-P energy: -36.153
tors. eta vs tors. theta energy: -66.966
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: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -698.250362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.250362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.250362 (E_RNA)
where:
Base-Base interactions energy: -474.010
where: short stacking energy: -196.951
Base-Backbone interact. energy: 0.542
local terms energy: -224.782404
where:
bonds (distance) C4'-P energy: -53.105
bonds (distance) P-C4' energy: -41.311
flat angles C4'-P-C4' energy: -51.322
flat angles P-C4'-P energy: -32.622
tors. eta vs tors. theta energy: -46.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -531.018980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.018980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.018980 (E_RNA)
where:
Base-Base interactions energy: -337.569
where: short stacking energy: -157.324
Base-Backbone interact. energy: 1.912
local terms energy: -195.362432
where:
bonds (distance) C4'-P energy: -46.251
bonds (distance) P-C4' energy: -39.428
flat angles C4'-P-C4' energy: -51.421
flat angles P-C4'-P energy: -25.786
tors. eta vs tors. theta energy: -32.476
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: 193
Temperature: 1.350000
Total energy: -328.656070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.656070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.656070 (E_RNA)
where:
Base-Base interactions energy: -176.135
where: short stacking energy: -86.699
Base-Backbone interact. energy: -0.516
local terms energy: -152.005160
where:
bonds (distance) C4'-P energy: -45.026
bonds (distance) P-C4' energy: -40.901
flat angles C4'-P-C4' energy: -36.710
flat angles P-C4'-P energy: -24.325
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -952.526661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.526661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.526661 (E_RNA)
where:
Base-Base interactions energy: -646.952
where: short stacking energy: -288.478
Base-Backbone interact. energy: -0.995
local terms energy: -304.580176
where:
bonds (distance) C4'-P energy: -53.631
bonds (distance) P-C4' energy: -51.184
flat angles C4'-P-C4' energy: -62.092
flat angles P-C4'-P energy: -46.530
tors. eta vs tors. theta energy: -91.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -924.372559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.372559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.372559 (E_RNA)
where:
Base-Base interactions energy: -641.801
where: short stacking energy: -282.542
Base-Backbone interact. energy: -1.161
local terms energy: -281.409904
where:
bonds (distance) C4'-P energy: -44.187
bonds (distance) P-C4' energy: -47.615
flat angles C4'-P-C4' energy: -61.638
flat angles P-C4'-P energy: -44.045
tors. eta vs tors. theta energy: -83.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -910.112278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.112278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.112278 (E_RNA)
where:
Base-Base interactions energy: -627.007
where: short stacking energy: -278.109
Base-Backbone interact. energy: -1.233
local terms energy: -281.871510
where:
bonds (distance) C4'-P energy: -54.623
bonds (distance) P-C4' energy: -46.244
flat angles C4'-P-C4' energy: -55.465
flat angles P-C4'-P energy: -41.702
tors. eta vs tors. theta energy: -83.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -885.562383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.562383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.562383 (E_RNA)
where:
Base-Base interactions energy: -627.398
where: short stacking energy: -267.315
Base-Backbone interact. energy: -1.721
local terms energy: -256.443923
where:
bonds (distance) C4'-P energy: -38.024
bonds (distance) P-C4' energy: -41.776
flat angles C4'-P-C4' energy: -52.367
flat angles P-C4'-P energy: -40.146
tors. eta vs tors. theta energy: -84.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -828.231068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.231068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.231068 (E_RNA)
where:
Base-Base interactions energy: -577.510
where: short stacking energy: -251.490
Base-Backbone interact. energy: -1.034
local terms energy: -249.686890
where:
bonds (distance) C4'-P energy: -48.140
bonds (distance) P-C4' energy: -42.554
flat angles C4'-P-C4' energy: -50.575
flat angles P-C4'-P energy: -33.495
tors. eta vs tors. theta energy: -74.923
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: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -810.126725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.126725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.126725 (E_RNA)
where:
Base-Base interactions energy: -541.358
where: short stacking energy: -223.919
Base-Backbone interact. energy: -0.843
local terms energy: -267.925915
where:
bonds (distance) C4'-P energy: -48.879
bonds (distance) P-C4' energy: -53.458
flat angles C4'-P-C4' energy: -59.565
flat angles P-C4'-P energy: -37.276
tors. eta vs tors. theta energy: -68.748
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: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -770.762033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.762033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.762033 (E_RNA)
where:
Base-Base interactions energy: -534.625
where: short stacking energy: -243.691
Base-Backbone interact. energy: -0.411
local terms energy: -235.725645
where:
bonds (distance) C4'-P energy: -35.355
bonds (distance) P-C4' energy: -44.158
flat angles C4'-P-C4' energy: -55.730
flat angles P-C4'-P energy: -26.996
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: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -704.000593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.000593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.000593 (E_RNA)
where:
Base-Base interactions energy: -469.480
where: short stacking energy: -195.717
Base-Backbone interact. energy: -0.474
local terms energy: -234.047188
where:
bonds (distance) C4'-P energy: -49.742
bonds (distance) P-C4' energy: -44.916
flat angles C4'-P-C4' energy: -43.599
flat angles P-C4'-P energy: -36.070
tors. eta vs tors. theta energy: -59.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -548.631937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.631937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.631937 (E_RNA)
where:
Base-Base interactions energy: -340.643
where: short stacking energy: -136.105
Base-Backbone interact. energy: 0.105
local terms energy: -208.093894
where:
bonds (distance) C4'-P energy: -47.468
bonds (distance) P-C4' energy: -50.628
flat angles C4'-P-C4' energy: -52.253
flat angles P-C4'-P energy: -31.680
tors. eta vs tors. theta energy: -26.065
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: 194
Temperature: 1.350000
Total energy: -340.989078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.989078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.989078 (E_RNA)
where:
Base-Base interactions energy: -197.769
where: short stacking energy: -93.029
Base-Backbone interact. energy: -0.672
local terms energy: -142.547194
where:
bonds (distance) C4'-P energy: -34.052
bonds (distance) P-C4' energy: -25.399
flat angles C4'-P-C4' energy: -41.595
flat angles P-C4'-P energy: -32.023
tors. eta vs tors. theta energy: -9.479
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: 6
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -964.840837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.840837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.840837 (E_RNA)
where:
Base-Base interactions energy: -670.076
where: short stacking energy: -291.637
Base-Backbone interact. energy: -0.543
local terms energy: -294.221493
where:
bonds (distance) C4'-P energy: -49.907
bonds (distance) P-C4' energy: -53.314
flat angles C4'-P-C4' energy: -57.050
flat angles P-C4'-P energy: -42.145
tors. eta vs tors. theta energy: -91.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -928.749342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.749342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.749342 (E_RNA)
where:
Base-Base interactions energy: -638.166
where: short stacking energy: -272.963
Base-Backbone interact. energy: -0.850
local terms energy: -289.733482
where:
bonds (distance) C4'-P energy: -50.173
bonds (distance) P-C4' energy: -54.272
flat angles C4'-P-C4' energy: -62.095
flat angles P-C4'-P energy: -43.487
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: 195
Temperature: 1.000000
Total energy: -903.001968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.001968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.001968 (E_RNA)
where:
Base-Base interactions energy: -627.200
where: short stacking energy: -277.779
Base-Backbone interact. energy: 0.016
local terms energy: -275.818234
where:
bonds (distance) C4'-P energy: -50.299
bonds (distance) P-C4' energy: -48.333
flat angles C4'-P-C4' energy: -51.879
flat angles P-C4'-P energy: -44.922
tors. eta vs tors. theta energy: -80.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -882.984811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.984811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.984811 (E_RNA)
where:
Base-Base interactions energy: -593.018
where: short stacking energy: -271.296
Base-Backbone interact. energy: 1.537
local terms energy: -291.503508
where:
bonds (distance) C4'-P energy: -55.849
bonds (distance) P-C4' energy: -49.507
flat angles C4'-P-C4' energy: -54.919
flat angles P-C4'-P energy: -46.842
tors. eta vs tors. theta energy: -84.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -846.240053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.240053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.240053 (E_RNA)
where:
Base-Base interactions energy: -585.699
where: short stacking energy: -270.417
Base-Backbone interact. energy: -0.123
local terms energy: -260.417413
where:
bonds (distance) C4'-P energy: -44.368
bonds (distance) P-C4' energy: -45.776
flat angles C4'-P-C4' energy: -55.513
flat angles P-C4'-P energy: -41.604
tors. eta vs tors. theta energy: -73.156
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: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -773.948092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.948092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.948092 (E_RNA)
where:
Base-Base interactions energy: -551.130
where: short stacking energy: -223.706
Base-Backbone interact. energy: -1.315
local terms energy: -221.502985
where:
bonds (distance) C4'-P energy: -45.044
bonds (distance) P-C4' energy: -38.929
flat angles C4'-P-C4' energy: -49.304
flat angles P-C4'-P energy: -31.564
tors. eta vs tors. theta energy: -56.661
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: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -766.976667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.976667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.976667 (E_RNA)
where:
Base-Base interactions energy: -511.031
where: short stacking energy: -229.419
Base-Backbone interact. energy: -0.798
local terms energy: -255.147385
where:
bonds (distance) C4'-P energy: -51.135
bonds (distance) P-C4' energy: -50.560
flat angles C4'-P-C4' energy: -54.148
flat angles P-C4'-P energy: -41.692
tors. eta vs tors. theta energy: -57.612
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: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -690.560106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.560106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.560106 (E_RNA)
where:
Base-Base interactions energy: -464.290
where: short stacking energy: -215.889
Base-Backbone interact. energy: 2.319
local terms energy: -228.589784
where:
bonds (distance) C4'-P energy: -49.140
bonds (distance) P-C4' energy: -43.265
flat angles C4'-P-C4' energy: -43.646
flat angles P-C4'-P energy: -31.382
tors. eta vs tors. theta energy: -61.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -543.225031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.225031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.225031 (E_RNA)
where:
Base-Base interactions energy: -352.810
where: short stacking energy: -143.902
Base-Backbone interact. energy: 0.387
local terms energy: -190.801758
where:
bonds (distance) C4'-P energy: -46.102
bonds (distance) P-C4' energy: -46.963
flat angles C4'-P-C4' energy: -44.383
flat angles P-C4'-P energy: -21.846
tors. eta vs tors. theta energy: -31.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -332.281958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.281958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.281958 (E_RNA)
where:
Base-Base interactions energy: -166.582
where: short stacking energy: -109.596
Base-Backbone interact. energy: -0.546
local terms energy: -165.154085
where:
bonds (distance) C4'-P energy: -41.861
bonds (distance) P-C4' energy: -50.468
flat angles C4'-P-C4' energy: -37.644
flat angles P-C4'-P energy: -18.748
tors. eta vs tors. theta energy: -16.434
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: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -948.839164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.839164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.839164 (E_RNA)
where:
Base-Base interactions energy: -654.042
where: short stacking energy: -291.805
Base-Backbone interact. energy: -0.792
local terms energy: -294.006011
where:
bonds (distance) C4'-P energy: -53.317
bonds (distance) P-C4' energy: -56.639
flat angles C4'-P-C4' energy: -58.818
flat angles P-C4'-P energy: -41.404
tors. eta vs tors. theta energy: -83.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -929.995363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.995363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.995363 (E_RNA)
where:
Base-Base interactions energy: -638.778
where: short stacking energy: -278.080
Base-Backbone interact. energy: 1.459
local terms energy: -292.676900
where:
bonds (distance) C4'-P energy: -56.675
bonds (distance) P-C4' energy: -45.678
flat angles C4'-P-C4' energy: -55.896
flat angles P-C4'-P energy: -50.876
tors. eta vs tors. theta energy: -83.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -898.611066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.611066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.611066 (E_RNA)
where:
Base-Base interactions energy: -622.189
where: short stacking energy: -280.021
Base-Backbone interact. energy: 0.725
local terms energy: -277.146956
where:
bonds (distance) C4'-P energy: -45.238
bonds (distance) P-C4' energy: -48.540
flat angles C4'-P-C4' energy: -53.656
flat angles P-C4'-P energy: -39.511
tors. eta vs tors. theta energy: -90.202
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: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -884.605801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.605801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.605801 (E_RNA)
where:
Base-Base interactions energy: -622.566
where: short stacking energy: -264.957
Base-Backbone interact. energy: 0.542
local terms energy: -262.581623
where:
bonds (distance) C4'-P energy: -47.286
bonds (distance) P-C4' energy: -50.605
flat angles C4'-P-C4' energy: -51.207
flat angles P-C4'-P energy: -37.029
tors. eta vs tors. theta energy: -76.455
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: 196
Temperature: 1.100000
Total energy: -838.170941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.170941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.170941 (E_RNA)
where:
Base-Base interactions energy: -570.295
where: short stacking energy: -257.025
Base-Backbone interact. energy: -1.029
local terms energy: -266.846975
where:
bonds (distance) C4'-P energy: -51.018
bonds (distance) P-C4' energy: -54.964
flat angles C4'-P-C4' energy: -53.633
flat angles P-C4'-P energy: -32.324
tors. eta vs tors. theta energy: -74.907
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: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -765.162197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.162197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.162197 (E_RNA)
where:
Base-Base interactions energy: -530.502
where: short stacking energy: -226.804
Base-Backbone interact. energy: -0.676
local terms energy: -233.984630
where:
bonds (distance) C4'-P energy: -43.504
bonds (distance) P-C4' energy: -41.254
flat angles C4'-P-C4' energy: -48.652
flat angles P-C4'-P energy: -31.570
tors. eta vs tors. theta energy: -69.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -757.202885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.202885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.202885 (E_RNA)
where:
Base-Base interactions energy: -534.995
where: short stacking energy: -235.456
Base-Backbone interact. energy: -0.154
local terms energy: -222.053187
where:
bonds (distance) C4'-P energy: -46.913
bonds (distance) P-C4' energy: -43.967
flat angles C4'-P-C4' energy: -39.039
flat angles P-C4'-P energy: -27.654
tors. eta vs tors. theta energy: -64.480
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: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -694.739166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.739166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.739166 (E_RNA)
where:
Base-Base interactions energy: -482.236
where: short stacking energy: -198.358
Base-Backbone interact. energy: -1.142
local terms energy: -211.361220
where:
bonds (distance) C4'-P energy: -28.770
bonds (distance) P-C4' energy: -52.374
flat angles C4'-P-C4' energy: -45.340
flat angles P-C4'-P energy: -28.836
tors. eta vs tors. theta energy: -56.041
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: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -545.682862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.682862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.682862 (E_RNA)
where:
Base-Base interactions energy: -350.741
where: short stacking energy: -151.164
Base-Backbone interact. energy: 1.439
local terms energy: -196.381427
where:
bonds (distance) C4'-P energy: -44.193
bonds (distance) P-C4' energy: -38.872
flat angles C4'-P-C4' energy: -50.955
flat angles P-C4'-P energy: -29.330
tors. eta vs tors. theta energy: -33.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -342.479862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.479862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.479862 (E_RNA)
where:
Base-Base interactions energy: -180.133
where: short stacking energy: -92.589
Base-Backbone interact. energy: -0.432
local terms energy: -161.915201
where:
bonds (distance) C4'-P energy: -43.526
bonds (distance) P-C4' energy: -45.478
flat angles C4'-P-C4' energy: -31.382
flat angles P-C4'-P energy: -30.810
tors. eta vs tors. theta energy: -10.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -941.925158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.925158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.925158 (E_RNA)
where:
Base-Base interactions energy: -659.666
where: short stacking energy: -278.914
Base-Backbone interact. energy: 4.903
local terms energy: -287.161469
where:
bonds (distance) C4'-P energy: -54.481
bonds (distance) P-C4' energy: -54.455
flat angles C4'-P-C4' energy: -55.042
flat angles P-C4'-P energy: -40.774
tors. eta vs tors. theta energy: -82.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -930.353736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.353736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.353736 (E_RNA)
where:
Base-Base interactions energy: -643.809
where: short stacking energy: -281.569
Base-Backbone interact. energy: -1.532
local terms energy: -285.012939
where:
bonds (distance) C4'-P energy: -52.460
bonds (distance) P-C4' energy: -56.293
flat angles C4'-P-C4' energy: -56.080
flat angles P-C4'-P energy: -36.216
tors. eta vs tors. theta energy: -83.963
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: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -910.787963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.787963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.787963 (E_RNA)
where:
Base-Base interactions energy: -624.000
where: short stacking energy: -288.282
Base-Backbone interact. energy: -0.716
local terms energy: -286.071769
where:
bonds (distance) C4'-P energy: -44.658
bonds (distance) P-C4' energy: -52.346
flat angles C4'-P-C4' energy: -61.406
flat angles P-C4'-P energy: -42.623
tors. eta vs tors. theta energy: -85.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -864.209229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.209229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.209229 (E_RNA)
where:
Base-Base interactions energy: -591.951
where: short stacking energy: -243.583
Base-Backbone interact. energy: -1.021
local terms energy: -271.237627
where:
bonds (distance) C4'-P energy: -46.087
bonds (distance) P-C4' energy: -52.500
flat angles C4'-P-C4' energy: -60.146
flat angles P-C4'-P energy: -32.732
tors. eta vs tors. theta energy: -79.773
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: 197
Temperature: 1.100000
Total energy: -815.582061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.582061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.582061 (E_RNA)
where:
Base-Base interactions energy: -555.676
where: short stacking energy: -240.611
Base-Backbone interact. energy: -1.220
local terms energy: -258.685961
where:
bonds (distance) C4'-P energy: -54.552
bonds (distance) P-C4' energy: -46.790
flat angles C4'-P-C4' energy: -55.529
flat angles P-C4'-P energy: -35.030
tors. eta vs tors. theta energy: -66.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -776.305333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.305333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.305333 (E_RNA)
where:
Base-Base interactions energy: -522.735
where: short stacking energy: -229.805
Base-Backbone interact. energy: -1.530
local terms energy: -252.040161
where:
bonds (distance) C4'-P energy: -44.200
bonds (distance) P-C4' energy: -53.000
flat angles C4'-P-C4' energy: -53.853
flat angles P-C4'-P energy: -31.076
tors. eta vs tors. theta energy: -69.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -762.113607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.113607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.113607 (E_RNA)
where:
Base-Base interactions energy: -527.493
where: short stacking energy: -218.115
Base-Backbone interact. energy: -0.842
local terms energy: -233.779027
where:
bonds (distance) C4'-P energy: -38.732
bonds (distance) P-C4' energy: -43.658
flat angles C4'-P-C4' energy: -51.663
flat angles P-C4'-P energy: -42.187
tors. eta vs tors. theta energy: -57.539
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: 9
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -659.828315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.828315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.828315 (E_RNA)
where:
Base-Base interactions energy: -436.133
where: short stacking energy: -177.662
Base-Backbone interact. energy: -0.967
local terms energy: -222.727405
where:
bonds (distance) C4'-P energy: -51.905
bonds (distance) P-C4' energy: -53.390
flat angles C4'-P-C4' energy: -43.745
flat angles P-C4'-P energy: -28.787
tors. eta vs tors. theta energy: -44.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -555.046549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.046549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.046549 (E_RNA)
where:
Base-Base interactions energy: -367.833
where: short stacking energy: -169.970
Base-Backbone interact. energy: 0.735
local terms energy: -187.949224
where:
bonds (distance) C4'-P energy: -47.549
bonds (distance) P-C4' energy: -36.451
flat angles C4'-P-C4' energy: -41.146
flat angles P-C4'-P energy: -27.791
tors. eta vs tors. theta energy: -35.012
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: 197
Temperature: 1.350000
Total energy: -320.298245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.298245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.298245 (E_RNA)
where:
Base-Base interactions energy: -157.788
where: short stacking energy: -74.725
Base-Backbone interact. energy: -3.588
local terms energy: -158.922171
where:
bonds (distance) C4'-P energy: -48.866
bonds (distance) P-C4' energy: -48.670
flat angles C4'-P-C4' energy: -33.364
flat angles P-C4'-P energy: -28.198
tors. eta vs tors. theta energy: 0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -954.041697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.041697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.041697 (E_RNA)
where:
Base-Base interactions energy: -666.490
where: short stacking energy: -287.531
Base-Backbone interact. energy: 1.242
local terms energy: -288.793957
where:
bonds (distance) C4'-P energy: -55.534
bonds (distance) P-C4' energy: -48.569
flat angles C4'-P-C4' energy: -62.500
flat angles P-C4'-P energy: -41.526
tors. eta vs tors. theta energy: -80.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -941.115063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.115063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.115063 (E_RNA)
where:
Base-Base interactions energy: -644.704
where: short stacking energy: -281.048
Base-Backbone interact. energy: -1.736
local terms energy: -294.675488
where:
bonds (distance) C4'-P energy: -55.920
bonds (distance) P-C4' energy: -53.202
flat angles C4'-P-C4' energy: -56.647
flat angles P-C4'-P energy: -43.728
tors. eta vs tors. theta energy: -85.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -924.747011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.747011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.747011 (E_RNA)
where:
Base-Base interactions energy: -639.943
where: short stacking energy: -273.554
Base-Backbone interact. energy: -1.065
local terms energy: -283.739192
where:
bonds (distance) C4'-P energy: -50.768
bonds (distance) P-C4' energy: -48.831
flat angles C4'-P-C4' energy: -61.786
flat angles P-C4'-P energy: -41.202
tors. eta vs tors. theta energy: -81.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -868.539092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.539092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.539092 (E_RNA)
where:
Base-Base interactions energy: -602.647
where: short stacking energy: -257.841
Base-Backbone interact. energy: 0.277
local terms energy: -266.168574
where:
bonds (distance) C4'-P energy: -46.408
bonds (distance) P-C4' energy: -51.420
flat angles C4'-P-C4' energy: -59.702
flat angles P-C4'-P energy: -33.347
tors. eta vs tors. theta energy: -75.291
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: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -820.623688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.623688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.623688 (E_RNA)
where:
Base-Base interactions energy: -558.364
where: short stacking energy: -252.575
Base-Backbone interact. energy: -2.258
local terms energy: -260.001776
where:
bonds (distance) C4'-P energy: -50.180
bonds (distance) P-C4' energy: -56.025
flat angles C4'-P-C4' energy: -54.847
flat angles P-C4'-P energy: -33.757
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: 6, replica: 4
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -762.497208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.497208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.497208 (E_RNA)
where:
Base-Base interactions energy: -526.023
where: short stacking energy: -215.129
Base-Backbone interact. energy: -0.761
local terms energy: -235.713226
where:
bonds (distance) C4'-P energy: -47.976
bonds (distance) P-C4' energy: -50.327
flat angles C4'-P-C4' energy: -58.832
flat angles P-C4'-P energy: -26.963
tors. eta vs tors. theta energy: -51.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -758.752182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.752182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.752182 (E_RNA)
where:
Base-Base interactions energy: -519.792
where: short stacking energy: -211.305
Base-Backbone interact. energy: -0.264
local terms energy: -238.695764
where:
bonds (distance) C4'-P energy: -45.629
bonds (distance) P-C4' energy: -49.679
flat angles C4'-P-C4' energy: -49.145
flat angles P-C4'-P energy: -30.953
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: 8, replica: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -669.553006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.553006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.553006 (E_RNA)
where:
Base-Base interactions energy: -467.017
where: short stacking energy: -186.423
Base-Backbone interact. energy: -0.602
local terms energy: -201.934022
where:
bonds (distance) C4'-P energy: -36.330
bonds (distance) P-C4' energy: -49.367
flat angles C4'-P-C4' energy: -48.125
flat angles P-C4'-P energy: -29.731
tors. eta vs tors. theta energy: -38.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -548.446239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.446239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.446239 (E_RNA)
where:
Base-Base interactions energy: -363.422
where: short stacking energy: -152.545
Base-Backbone interact. energy: -1.686
local terms energy: -183.338522
where:
bonds (distance) C4'-P energy: -35.476
bonds (distance) P-C4' energy: -49.695
flat angles C4'-P-C4' energy: -40.980
flat angles P-C4'-P energy: -27.492
tors. eta vs tors. theta energy: -29.696
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: 198
Temperature: 1.350000
Total energy: -241.828636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.828636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.828636 (E_RNA)
where:
Base-Base interactions energy: -92.566
where: short stacking energy: -73.141
Base-Backbone interact. energy: 0.815
local terms energy: -150.077557
where:
bonds (distance) C4'-P energy: -46.803
bonds (distance) P-C4' energy: -47.806
flat angles C4'-P-C4' energy: -39.147
flat angles P-C4'-P energy: -25.142
tors. eta vs tors. theta energy: 8.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -933.878434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.878434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.878434 (E_RNA)
where:
Base-Base interactions energy: -644.055
where: short stacking energy: -279.612
Base-Backbone interact. energy: -1.147
local terms energy: -288.675907
where:
bonds (distance) C4'-P energy: -51.502
bonds (distance) P-C4' energy: -51.419
flat angles C4'-P-C4' energy: -59.880
flat angles P-C4'-P energy: -40.544
tors. eta vs tors. theta energy: -85.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -931.960369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.960369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.960369 (E_RNA)
where:
Base-Base interactions energy: -643.468
where: short stacking energy: -281.758
Base-Backbone interact. energy: -1.834
local terms energy: -286.658177
where:
bonds (distance) C4'-P energy: -52.097
bonds (distance) P-C4' energy: -53.719
flat angles C4'-P-C4' energy: -57.770
flat angles P-C4'-P energy: -38.329
tors. eta vs tors. theta energy: -84.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -903.338483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.338483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.338483 (E_RNA)
where:
Base-Base interactions energy: -621.804
where: short stacking energy: -267.550
Base-Backbone interact. energy: -0.750
local terms energy: -280.784157
where:
bonds (distance) C4'-P energy: -52.789
bonds (distance) P-C4' energy: -50.353
flat angles C4'-P-C4' energy: -59.639
flat angles P-C4'-P energy: -38.263
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: 4, replica: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -891.010657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.010657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.010657 (E_RNA)
where:
Base-Base interactions energy: -637.457
where: short stacking energy: -255.468
Base-Backbone interact. energy: 0.047
local terms energy: -253.600021
where:
bonds (distance) C4'-P energy: -45.600
bonds (distance) P-C4' energy: -44.357
flat angles C4'-P-C4' energy: -51.527
flat angles P-C4'-P energy: -33.712
tors. eta vs tors. theta energy: -78.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -821.316069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.316069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.316069 (E_RNA)
where:
Base-Base interactions energy: -568.214
where: short stacking energy: -242.659
Base-Backbone interact. energy: 1.029
local terms energy: -254.131273
where:
bonds (distance) C4'-P energy: -47.010
bonds (distance) P-C4' energy: -51.198
flat angles C4'-P-C4' energy: -53.212
flat angles P-C4'-P energy: -35.664
tors. eta vs tors. theta energy: -67.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -810.426829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.426829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.426829 (E_RNA)
where:
Base-Base interactions energy: -550.861
where: short stacking energy: -234.932
Base-Backbone interact. energy: -0.595
local terms energy: -258.970888
where:
bonds (distance) C4'-P energy: -52.474
bonds (distance) P-C4' energy: -47.817
flat angles C4'-P-C4' energy: -50.962
flat angles P-C4'-P energy: -28.760
tors. eta vs tors. theta energy: -78.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -730.665143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.665143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.665143 (E_RNA)
where:
Base-Base interactions energy: -500.940
where: short stacking energy: -211.347
Base-Backbone interact. energy: -1.325
local terms energy: -228.400535
where:
bonds (distance) C4'-P energy: -36.295
bonds (distance) P-C4' energy: -41.548
flat angles C4'-P-C4' energy: -56.028
flat angles P-C4'-P energy: -34.100
tors. eta vs tors. theta energy: -60.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -644.107660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.107660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.107660 (E_RNA)
where:
Base-Base interactions energy: -443.433
where: short stacking energy: -196.532
Base-Backbone interact. energy: -0.228
local terms energy: -200.446608
where:
bonds (distance) C4'-P energy: -45.239
bonds (distance) P-C4' energy: -45.976
flat angles C4'-P-C4' energy: -42.918
flat angles P-C4'-P energy: -21.232
tors. eta vs tors. theta energy: -45.081
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: 9, replica: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -600.751356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.751356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.751356 (E_RNA)
where:
Base-Base interactions energy: -419.134
where: short stacking energy: -168.328
Base-Backbone interact. energy: 0.230
local terms energy: -181.847266
where:
bonds (distance) C4'-P energy: -27.943
bonds (distance) P-C4' energy: -31.698
flat angles C4'-P-C4' energy: -51.475
flat angles P-C4'-P energy: -31.910
tors. eta vs tors. theta energy: -38.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -211.806463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.806463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.806463 (E_RNA)
where:
Base-Base interactions energy: -71.082
where: short stacking energy: -62.704
Base-Backbone interact. energy: 0.551
local terms energy: -141.275863
where:
bonds (distance) C4'-P energy: -41.326
bonds (distance) P-C4' energy: -50.843
flat angles C4'-P-C4' energy: -34.744
flat angles P-C4'-P energy: -20.804
tors. eta vs tors. theta energy: 6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -939.976152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.976152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.976152 (E_RNA)
where:
Base-Base interactions energy: -646.863
where: short stacking energy: -281.518
Base-Backbone interact. energy: -0.686
local terms energy: -292.427088
where:
bonds (distance) C4'-P energy: -49.069
bonds (distance) P-C4' energy: -48.921
flat angles C4'-P-C4' energy: -60.355
flat angles P-C4'-P energy: -44.999
tors. eta vs tors. theta energy: -89.083
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: 200
Temperature: 0.950000
Total energy: -936.073019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.073019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.073019 (E_RNA)
where:
Base-Base interactions energy: -654.002
where: short stacking energy: -297.867
Base-Backbone interact. energy: 0.681
local terms energy: -282.752057
where:
bonds (distance) C4'-P energy: -45.942
bonds (distance) P-C4' energy: -50.465
flat angles C4'-P-C4' energy: -57.520
flat angles P-C4'-P energy: -41.381
tors. eta vs tors. theta energy: -87.445
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: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -918.143612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.143612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.143612 (E_RNA)
where:
Base-Base interactions energy: -643.368
where: short stacking energy: -286.213
Base-Backbone interact. energy: -1.319
local terms energy: -273.456503
where:
bonds (distance) C4'-P energy: -46.349
bonds (distance) P-C4' energy: -51.775
flat angles C4'-P-C4' energy: -56.350
flat angles P-C4'-P energy: -33.102
tors. eta vs tors. theta energy: -85.881
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: 200
Temperature: 1.050000
Total energy: -902.394028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.394028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.394028 (E_RNA)
where:
Base-Base interactions energy: -632.494
where: short stacking energy: -275.321
Base-Backbone interact. energy: -1.684
local terms energy: -268.216480
where:
bonds (distance) C4'-P energy: -39.527
bonds (distance) P-C4' energy: -45.241
flat angles C4'-P-C4' energy: -62.813
flat angles P-C4'-P energy: -38.834
tors. eta vs tors. theta energy: -81.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -808.147845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.147845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.147845 (E_RNA)
where:
Base-Base interactions energy: -560.362
where: short stacking energy: -236.005
Base-Backbone interact. energy: 4.172
local terms energy: -251.957812
where:
bonds (distance) C4'-P energy: -50.046
bonds (distance) P-C4' energy: -46.659
flat angles C4'-P-C4' energy: -50.890
flat angles P-C4'-P energy: -42.314
tors. eta vs tors. theta energy: -62.049
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: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -777.634097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.634097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.634097 (E_RNA)
where:
Base-Base interactions energy: -537.221
where: short stacking energy: -217.687
Base-Backbone interact. energy: -1.618
local terms energy: -238.794624
where:
bonds (distance) C4'-P energy: -40.047
bonds (distance) P-C4' energy: -51.081
flat angles C4'-P-C4' energy: -54.643
flat angles P-C4'-P energy: -34.045
tors. eta vs tors. theta energy: -58.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -712.352820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.352820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.352820 (E_RNA)
where:
Base-Base interactions energy: -487.566
where: short stacking energy: -198.024
Base-Backbone interact. energy: -0.051
local terms energy: -224.735070
where:
bonds (distance) C4'-P energy: -34.727
bonds (distance) P-C4' energy: -52.069
flat angles C4'-P-C4' energy: -56.779
flat angles P-C4'-P energy: -33.294
tors. eta vs tors. theta energy: -47.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -634.744090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.744090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.744090 (E_RNA)
where:
Base-Base interactions energy: -425.746
where: short stacking energy: -185.400
Base-Backbone interact. energy: -1.385
local terms energy: -207.613401
where:
bonds (distance) C4'-P energy: -39.120
bonds (distance) P-C4' energy: -38.930
flat angles C4'-P-C4' energy: -49.021
flat angles P-C4'-P energy: -28.267
tors. eta vs tors. theta energy: -52.275
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: 200
Temperature: 1.300000
Total energy: -573.983423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.983423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.983423 (E_RNA)
where:
Base-Base interactions energy: -378.304
where: short stacking energy: -166.822
Base-Backbone interact. energy: 2.132
local terms energy: -197.811263
where:
bonds (distance) C4'-P energy: -46.439
bonds (distance) P-C4' energy: -43.062
flat angles C4'-P-C4' energy: -42.774
flat angles P-C4'-P energy: -24.676
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: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -211.782301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.782301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.782301 (E_RNA)
where:
Base-Base interactions energy: -65.356
where: short stacking energy: -64.107
Base-Backbone interact. energy: 1.191
local terms energy: -147.617326
where:
bonds (distance) C4'-P energy: -37.233
bonds (distance) P-C4' energy: -43.789
flat angles C4'-P-C4' energy: -45.728
flat angles P-C4'-P energy: -23.730
tors. eta vs tors. theta energy: 2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -936.786085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.786085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.786085 (E_RNA)
where:
Base-Base interactions energy: -637.485
where: short stacking energy: -278.549
Base-Backbone interact. energy: -0.897
local terms energy: -298.404290
where:
bonds (distance) C4'-P energy: -47.112
bonds (distance) P-C4' energy: -60.138
flat angles C4'-P-C4' energy: -57.246
flat angles P-C4'-P energy: -46.125
tors. eta vs tors. theta energy: -87.784
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: 201
Temperature: 0.950000
Total energy: -918.477963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.477963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.477963 (E_RNA)
where:
Base-Base interactions energy: -636.084
where: short stacking energy: -276.101
Base-Backbone interact. energy: -0.253
local terms energy: -282.141260
where:
bonds (distance) C4'-P energy: -50.941
bonds (distance) P-C4' energy: -43.855
flat angles C4'-P-C4' energy: -61.675
flat angles P-C4'-P energy: -42.021
tors. eta vs tors. theta energy: -83.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -894.596124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.596124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.596124 (E_RNA)
where:
Base-Base interactions energy: -616.009
where: short stacking energy: -277.561
Base-Backbone interact. energy: -0.899
local terms energy: -277.687939
where:
bonds (distance) C4'-P energy: -47.891
bonds (distance) P-C4' energy: -53.533
flat angles C4'-P-C4' energy: -56.153
flat angles P-C4'-P energy: -36.682
tors. eta vs tors. theta energy: -83.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -898.945168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.945168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.945168 (E_RNA)
where:
Base-Base interactions energy: -630.128
where: short stacking energy: -265.573
Base-Backbone interact. energy: -1.165
local terms energy: -267.651932
where:
bonds (distance) C4'-P energy: -45.651
bonds (distance) P-C4' energy: -49.371
flat angles C4'-P-C4' energy: -55.066
flat angles P-C4'-P energy: -40.896
tors. eta vs tors. theta energy: -76.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -818.599472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.599472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.599472 (E_RNA)
where:
Base-Base interactions energy: -557.628
where: short stacking energy: -242.836
Base-Backbone interact. energy: -0.301
local terms energy: -260.670917
where:
bonds (distance) C4'-P energy: -44.616
bonds (distance) P-C4' energy: -53.656
flat angles C4'-P-C4' energy: -60.036
flat angles P-C4'-P energy: -37.285
tors. eta vs tors. theta energy: -65.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -782.632335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.632335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.632335 (E_RNA)
where:
Base-Base interactions energy: -549.047
where: short stacking energy: -221.528
Base-Backbone interact. energy: -0.961
local terms energy: -232.624709
where:
bonds (distance) C4'-P energy: -49.108
bonds (distance) P-C4' energy: -54.582
flat angles C4'-P-C4' energy: -45.148
flat angles P-C4'-P energy: -33.770
tors. eta vs tors. theta energy: -50.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -723.525415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.525415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.525415 (E_RNA)
where:
Base-Base interactions energy: -483.569
where: short stacking energy: -218.791
Base-Backbone interact. energy: -1.436
local terms energy: -238.520107
where:
bonds (distance) C4'-P energy: -46.499
bonds (distance) P-C4' energy: -46.619
flat angles C4'-P-C4' energy: -46.631
flat angles P-C4'-P energy: -36.540
tors. eta vs tors. theta energy: -62.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -579.561726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.561726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.561726 (E_RNA)
where:
Base-Base interactions energy: -392.313
where: short stacking energy: -175.729
Base-Backbone interact. energy: 0.977
local terms energy: -188.224975
where:
bonds (distance) C4'-P energy: -45.209
bonds (distance) P-C4' energy: -26.002
flat angles C4'-P-C4' energy: -52.190
flat angles P-C4'-P energy: -26.500
tors. eta vs tors. theta energy: -38.324
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: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -675.539425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.539425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.539425 (E_RNA)
where:
Base-Base interactions energy: -452.719
where: short stacking energy: -198.856
Base-Backbone interact. energy: -0.312
local terms energy: -222.508793
where:
bonds (distance) C4'-P energy: -43.872
bonds (distance) P-C4' energy: -39.253
flat angles C4'-P-C4' energy: -57.370
flat angles P-C4'-P energy: -22.157
tors. eta vs tors. theta energy: -59.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -230.060025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.060025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.060025 (E_RNA)
where:
Base-Base interactions energy: -72.070
where: short stacking energy: -61.434
Base-Backbone interact. energy: -0.474
local terms energy: -157.516043
where:
bonds (distance) C4'-P energy: -46.004
bonds (distance) P-C4' energy: -42.415
flat angles C4'-P-C4' energy: -42.632
flat angles P-C4'-P energy: -28.174
tors. eta vs tors. theta energy: 1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -947.209336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.209336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.209336 (E_RNA)
where:
Base-Base interactions energy: -645.626
where: short stacking energy: -275.404
Base-Backbone interact. energy: -1.054
local terms energy: -300.529173
where:
bonds (distance) C4'-P energy: -56.538
bonds (distance) P-C4' energy: -59.399
flat angles C4'-P-C4' energy: -60.476
flat angles P-C4'-P energy: -39.837
tors. eta vs tors. theta energy: -84.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -937.733085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.733085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.733085 (E_RNA)
where:
Base-Base interactions energy: -647.017
where: short stacking energy: -283.936
Base-Backbone interact. energy: -1.033
local terms energy: -289.683325
where:
bonds (distance) C4'-P energy: -49.038
bonds (distance) P-C4' energy: -51.738
flat angles C4'-P-C4' energy: -60.633
flat angles P-C4'-P energy: -40.496
tors. eta vs tors. theta energy: -87.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -881.411862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.411862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.411862 (E_RNA)
where:
Base-Base interactions energy: -605.450
where: short stacking energy: -270.425
Base-Backbone interact. energy: -0.474
local terms energy: -275.487685
where:
bonds (distance) C4'-P energy: -49.626
bonds (distance) P-C4' energy: -50.746
flat angles C4'-P-C4' energy: -57.440
flat angles P-C4'-P energy: -35.412
tors. eta vs tors. theta energy: -82.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -894.323300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.323300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.323300 (E_RNA)
where:
Base-Base interactions energy: -641.708
where: short stacking energy: -268.702
Base-Backbone interact. energy: -0.936
local terms energy: -251.678630
where:
bonds (distance) C4'-P energy: -38.746
bonds (distance) P-C4' energy: -40.575
flat angles C4'-P-C4' energy: -50.963
flat angles P-C4'-P energy: -44.560
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: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -800.294118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.294118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.294118 (E_RNA)
where:
Base-Base interactions energy: -538.231
where: short stacking energy: -234.494
Base-Backbone interact. energy: -2.079
local terms energy: -259.983432
where:
bonds (distance) C4'-P energy: -46.868
bonds (distance) P-C4' energy: -50.351
flat angles C4'-P-C4' energy: -52.217
flat angles P-C4'-P energy: -40.026
tors. eta vs tors. theta energy: -70.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -763.056916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.056916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.056916 (E_RNA)
where:
Base-Base interactions energy: -519.516
where: short stacking energy: -210.083
Base-Backbone interact. energy: -0.238
local terms energy: -243.303034
where:
bonds (distance) C4'-P energy: -47.587
bonds (distance) P-C4' energy: -46.424
flat angles C4'-P-C4' energy: -47.571
flat angles P-C4'-P energy: -38.675
tors. eta vs tors. theta energy: -63.047
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: 7, replica: 4
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -757.171844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.171844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.171844 (E_RNA)
where:
Base-Base interactions energy: -519.501
where: short stacking energy: -211.992
Base-Backbone interact. energy: -0.528
local terms energy: -237.142718
where:
bonds (distance) C4'-P energy: -40.881
bonds (distance) P-C4' energy: -51.212
flat angles C4'-P-C4' energy: -50.789
flat angles P-C4'-P energy: -36.964
tors. eta vs tors. theta energy: -57.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -606.588911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.588911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.588911 (E_RNA)
where:
Base-Base interactions energy: -393.376
where: short stacking energy: -160.257
Base-Backbone interact. energy: 0.146
local terms energy: -213.359147
where:
bonds (distance) C4'-P energy: -49.660
bonds (distance) P-C4' energy: -46.190
flat angles C4'-P-C4' energy: -51.222
flat angles P-C4'-P energy: -30.605
tors. eta vs tors. theta energy: -35.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -619.353277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.353277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.353277 (E_RNA)
where:
Base-Base interactions energy: -404.515
where: short stacking energy: -177.507
Base-Backbone interact. energy: 1.153
local terms energy: -215.991312
where:
bonds (distance) C4'-P energy: -42.182
bonds (distance) P-C4' energy: -39.801
flat angles C4'-P-C4' energy: -54.189
flat angles P-C4'-P energy: -32.985
tors. eta vs tors. theta energy: -46.834
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: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -238.565511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.565511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.565511 (E_RNA)
where:
Base-Base interactions energy: -80.889
where: short stacking energy: -76.487
Base-Backbone interact. energy: -0.211
local terms energy: -157.465639
where:
bonds (distance) C4'-P energy: -45.202
bonds (distance) P-C4' energy: -37.544
flat angles C4'-P-C4' energy: -44.379
flat angles P-C4'-P energy: -23.626
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -949.371208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.371208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.371208 (E_RNA)
where:
Base-Base interactions energy: -656.333
where: short stacking energy: -288.511
Base-Backbone interact. energy: -0.949
local terms energy: -292.088978
where:
bonds (distance) C4'-P energy: -54.630
bonds (distance) P-C4' energy: -51.109
flat angles C4'-P-C4' energy: -58.392
flat angles P-C4'-P energy: -36.351
tors. eta vs tors. theta energy: -91.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -928.255788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.255788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.255788 (E_RNA)
where:
Base-Base interactions energy: -637.884
where: short stacking energy: -269.667
Base-Backbone interact. energy: 0.407
local terms energy: -290.779033
where:
bonds (distance) C4'-P energy: -50.145
bonds (distance) P-C4' energy: -50.874
flat angles C4'-P-C4' energy: -60.831
flat angles P-C4'-P energy: -43.842
tors. eta vs tors. theta energy: -85.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -904.777732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.777732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.777732 (E_RNA)
where:
Base-Base interactions energy: -623.194
where: short stacking energy: -276.246
Base-Backbone interact. energy: -0.426
local terms energy: -281.158256
where:
bonds (distance) C4'-P energy: -49.481
bonds (distance) P-C4' energy: -46.743
flat angles C4'-P-C4' energy: -62.492
flat angles P-C4'-P energy: -35.806
tors. eta vs tors. theta energy: -86.636
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: 4, replica: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -893.241792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.241792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.241792 (E_RNA)
where:
Base-Base interactions energy: -605.335
where: short stacking energy: -263.761
Base-Backbone interact. energy: 2.341
local terms energy: -290.247581
where:
bonds (distance) C4'-P energy: -59.034
bonds (distance) P-C4' energy: -54.295
flat angles C4'-P-C4' energy: -64.804
flat angles P-C4'-P energy: -32.431
tors. eta vs tors. theta energy: -79.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -798.386881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.386881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.386881 (E_RNA)
where:
Base-Base interactions energy: -563.562
where: short stacking energy: -246.647
Base-Backbone interact. energy: -1.636
local terms energy: -233.188965
where:
bonds (distance) C4'-P energy: -31.659
bonds (distance) P-C4' energy: -45.503
flat angles C4'-P-C4' energy: -52.367
flat angles P-C4'-P energy: -33.096
tors. eta vs tors. theta energy: -70.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -776.299658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.299658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.299658 (E_RNA)
where:
Base-Base interactions energy: -519.196
where: short stacking energy: -219.852
Base-Backbone interact. energy: -1.657
local terms energy: -255.446050
where:
bonds (distance) C4'-P energy: -47.627
bonds (distance) P-C4' energy: -46.454
flat angles C4'-P-C4' energy: -56.642
flat angles P-C4'-P energy: -36.094
tors. eta vs tors. theta energy: -68.630
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: 4
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -740.350958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.350958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.350958 (E_RNA)
where:
Base-Base interactions energy: -514.759
where: short stacking energy: -223.939
Base-Backbone interact. energy: 5.709
local terms energy: -231.301704
where:
bonds (distance) C4'-P energy: -31.415
bonds (distance) P-C4' energy: -56.595
flat angles C4'-P-C4' energy: -51.355
flat angles P-C4'-P energy: -31.577
tors. eta vs tors. theta energy: -60.360
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: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -623.226766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.226766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.226766 (E_RNA)
where:
Base-Base interactions energy: -411.929
where: short stacking energy: -166.341
Base-Backbone interact. energy: -0.828
local terms energy: -210.469814
where:
bonds (distance) C4'-P energy: -38.405
bonds (distance) P-C4' energy: -46.979
flat angles C4'-P-C4' energy: -57.304
flat angles P-C4'-P energy: -29.819
tors. eta vs tors. theta energy: -37.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -585.859925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.859925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.859925 (E_RNA)
where:
Base-Base interactions energy: -382.185
where: short stacking energy: -172.199
Base-Backbone interact. energy: -0.365
local terms energy: -203.310358
where:
bonds (distance) C4'-P energy: -32.026
bonds (distance) P-C4' energy: -52.335
flat angles C4'-P-C4' energy: -49.138
flat angles P-C4'-P energy: -30.156
tors. eta vs tors. theta energy: -39.656
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: 203
Temperature: 1.350000
Total energy: -216.809808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.809808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.809808 (E_RNA)
where:
Base-Base interactions energy: -61.014
where: short stacking energy: -40.797
Base-Backbone interact. energy: 4.670
local terms energy: -160.465678
where:
bonds (distance) C4'-P energy: -52.071
bonds (distance) P-C4' energy: -42.362
flat angles C4'-P-C4' energy: -40.931
flat angles P-C4'-P energy: -28.915
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: 1, replica: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -960.412166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.412166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.412166 (E_RNA)
where:
Base-Base interactions energy: -656.643
where: short stacking energy: -283.938
Base-Backbone interact. energy: 1.479
local terms energy: -305.247510
where:
bonds (distance) C4'-P energy: -61.464
bonds (distance) P-C4' energy: -58.134
flat angles C4'-P-C4' energy: -62.066
flat angles P-C4'-P energy: -32.473
tors. eta vs tors. theta energy: -91.111
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: 6
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -945.349855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.349855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.349855 (E_RNA)
where:
Base-Base interactions energy: -654.816
where: short stacking energy: -289.345
Base-Backbone interact. energy: -0.019
local terms energy: -290.514162
where:
bonds (distance) C4'-P energy: -42.829
bonds (distance) P-C4' energy: -53.918
flat angles C4'-P-C4' energy: -64.541
flat angles P-C4'-P energy: -41.403
tors. eta vs tors. theta energy: -87.823
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: 204
Temperature: 1.000000
Total energy: -904.882872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.882872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.882872 (E_RNA)
where:
Base-Base interactions energy: -646.676
where: short stacking energy: -278.764
Base-Backbone interact. energy: 1.748
local terms energy: -259.955641
where:
bonds (distance) C4'-P energy: -48.513
bonds (distance) P-C4' energy: -45.603
flat angles C4'-P-C4' energy: -53.082
flat angles P-C4'-P energy: -29.735
tors. eta vs tors. theta energy: -83.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -896.883418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.883418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.883418 (E_RNA)
where:
Base-Base interactions energy: -618.953
where: short stacking energy: -274.489
Base-Backbone interact. energy: -0.418
local terms energy: -277.512849
where:
bonds (distance) C4'-P energy: -43.790
bonds (distance) P-C4' energy: -44.592
flat angles C4'-P-C4' energy: -63.609
flat angles P-C4'-P energy: -41.834
tors. eta vs tors. theta energy: -83.689
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: 204
Temperature: 1.100000
Total energy: -809.876092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.876092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.876092 (E_RNA)
where:
Base-Base interactions energy: -556.282
where: short stacking energy: -247.792
Base-Backbone interact. energy: -0.108
local terms energy: -253.485679
where:
bonds (distance) C4'-P energy: -51.148
bonds (distance) P-C4' energy: -47.328
flat angles C4'-P-C4' energy: -53.816
flat angles P-C4'-P energy: -31.962
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: 6, replica: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -707.126092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.126092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.126092 (E_RNA)
where:
Base-Base interactions energy: -489.645
where: short stacking energy: -205.093
Base-Backbone interact. energy: -0.588
local terms energy: -216.893448
where:
bonds (distance) C4'-P energy: -45.330
bonds (distance) P-C4' energy: -36.922
flat angles C4'-P-C4' energy: -50.572
flat angles P-C4'-P energy: -33.162
tors. eta vs tors. theta energy: -50.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -733.783483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.783483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.783483 (E_RNA)
where:
Base-Base interactions energy: -481.416
where: short stacking energy: -196.724
Base-Backbone interact. energy: 0.303
local terms energy: -252.670406
where:
bonds (distance) C4'-P energy: -42.492
bonds (distance) P-C4' energy: -58.835
flat angles C4'-P-C4' energy: -54.119
flat angles P-C4'-P energy: -30.360
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: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -640.436416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.436416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.436416 (E_RNA)
where:
Base-Base interactions energy: -422.192
where: short stacking energy: -170.470
Base-Backbone interact. energy: -1.319
local terms energy: -216.924616
where:
bonds (distance) C4'-P energy: -41.069
bonds (distance) P-C4' energy: -44.446
flat angles C4'-P-C4' energy: -49.605
flat angles P-C4'-P energy: -32.703
tors. eta vs tors. theta energy: -49.103
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: 204
Temperature: 1.300000
Total energy: -557.912933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.912933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.912933 (E_RNA)
where:
Base-Base interactions energy: -351.695
where: short stacking energy: -155.468
Base-Backbone interact. energy: -1.317
local terms energy: -204.901417
where:
bonds (distance) C4'-P energy: -37.967
bonds (distance) P-C4' energy: -44.060
flat angles C4'-P-C4' energy: -44.984
flat angles P-C4'-P energy: -34.788
tors. eta vs tors. theta energy: -43.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -259.115502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.115502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.115502 (E_RNA)
where:
Base-Base interactions energy: -91.992
where: short stacking energy: -52.813
Base-Backbone interact. energy: -1.147
local terms energy: -165.976770
where:
bonds (distance) C4'-P energy: -41.287
bonds (distance) P-C4' energy: -55.577
flat angles C4'-P-C4' energy: -38.753
flat angles P-C4'-P energy: -35.687
tors. eta vs tors. theta energy: 5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -950.734097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.734097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.734097 (E_RNA)
where:
Base-Base interactions energy: -655.640
where: short stacking energy: -297.837
Base-Backbone interact. energy: -1.001
local terms energy: -294.093002
where:
bonds (distance) C4'-P energy: -48.297
bonds (distance) P-C4' energy: -57.076
flat angles C4'-P-C4' energy: -56.552
flat angles P-C4'-P energy: -40.346
tors. eta vs tors. theta energy: -91.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -921.944223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.944223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.944223 (E_RNA)
where:
Base-Base interactions energy: -640.582
where: short stacking energy: -281.019
Base-Backbone interact. energy: -1.225
local terms energy: -280.137390
where:
bonds (distance) C4'-P energy: -46.784
bonds (distance) P-C4' energy: -49.228
flat angles C4'-P-C4' energy: -56.225
flat angles P-C4'-P energy: -42.139
tors. eta vs tors. theta energy: -85.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -897.094771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.094771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.094771 (E_RNA)
where:
Base-Base interactions energy: -630.671
where: short stacking energy: -261.707
Base-Backbone interact. energy: -1.264
local terms energy: -265.160370
where:
bonds (distance) C4'-P energy: -40.605
bonds (distance) P-C4' energy: -52.703
flat angles C4'-P-C4' energy: -58.346
flat angles P-C4'-P energy: -33.365
tors. eta vs tors. theta energy: -80.141
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: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -908.596100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.596100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.596100 (E_RNA)
where:
Base-Base interactions energy: -629.725
where: short stacking energy: -277.637
Base-Backbone interact. energy: -0.448
local terms energy: -278.423168
where:
bonds (distance) C4'-P energy: -51.767
bonds (distance) P-C4' energy: -46.053
flat angles C4'-P-C4' energy: -59.232
flat angles P-C4'-P energy: -40.065
tors. eta vs tors. theta energy: -81.306
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: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -816.641926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.641926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.641926 (E_RNA)
where:
Base-Base interactions energy: -564.624
where: short stacking energy: -248.231
Base-Backbone interact. energy: -1.337
local terms energy: -250.680959
where:
bonds (distance) C4'-P energy: -46.415
bonds (distance) P-C4' energy: -46.312
flat angles C4'-P-C4' energy: -51.894
flat angles P-C4'-P energy: -35.753
tors. eta vs tors. theta energy: -70.307
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: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -759.560763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.560763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.560763 (E_RNA)
where:
Base-Base interactions energy: -518.070
where: short stacking energy: -233.164
Base-Backbone interact. energy: -0.647
local terms energy: -240.844433
where:
bonds (distance) C4'-P energy: -46.156
bonds (distance) P-C4' energy: -37.164
flat angles C4'-P-C4' energy: -54.647
flat angles P-C4'-P energy: -34.586
tors. eta vs tors. theta energy: -68.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -728.518655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.518655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.518655 (E_RNA)
where:
Base-Base interactions energy: -504.122
where: short stacking energy: -219.717
Base-Backbone interact. energy: -0.478
local terms energy: -223.918638
where:
bonds (distance) C4'-P energy: -42.073
bonds (distance) P-C4' energy: -39.993
flat angles C4'-P-C4' energy: -54.013
flat angles P-C4'-P energy: -31.993
tors. eta vs tors. theta energy: -55.847
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: 8, replica: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -664.102959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.102959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.102959 (E_RNA)
where:
Base-Base interactions energy: -441.796
where: short stacking energy: -192.633
Base-Backbone interact. energy: -0.092
local terms energy: -222.215031
where:
bonds (distance) C4'-P energy: -48.494
bonds (distance) P-C4' energy: -44.868
flat angles C4'-P-C4' energy: -47.795
flat angles P-C4'-P energy: -35.784
tors. eta vs tors. theta energy: -45.274
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: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -552.995633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.995633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.995633 (E_RNA)
where:
Base-Base interactions energy: -359.020
where: short stacking energy: -153.818
Base-Backbone interact. energy: -0.924
local terms energy: -193.051277
where:
bonds (distance) C4'-P energy: -54.533
bonds (distance) P-C4' energy: -39.478
flat angles C4'-P-C4' energy: -39.190
flat angles P-C4'-P energy: -35.214
tors. eta vs tors. theta energy: -24.636
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: 205
Temperature: 1.350000
Total energy: -220.771926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.771926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.771926 (E_RNA)
where:
Base-Base interactions energy: -72.724
where: short stacking energy: -63.182
Base-Backbone interact. energy: -1.564
local terms energy: -146.483095
where:
bonds (distance) C4'-P energy: -47.305
bonds (distance) P-C4' energy: -36.325
flat angles C4'-P-C4' energy: -30.547
flat angles P-C4'-P energy: -29.632
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -972.577333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.577333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.577333 (E_RNA)
where:
Base-Base interactions energy: -667.598
where: short stacking energy: -299.535
Base-Backbone interact. energy: -0.653
local terms energy: -304.326333
where:
bonds (distance) C4'-P energy: -51.576
bonds (distance) P-C4' energy: -51.967
flat angles C4'-P-C4' energy: -63.315
flat angles P-C4'-P energy: -46.527
tors. eta vs tors. theta energy: -90.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -940.894169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.894169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.894169 (E_RNA)
where:
Base-Base interactions energy: -646.944
where: short stacking energy: -300.821
Base-Backbone interact. energy: 1.289
local terms energy: -295.238850
where:
bonds (distance) C4'-P energy: -49.473
bonds (distance) P-C4' energy: -52.805
flat angles C4'-P-C4' energy: -56.157
flat angles P-C4'-P energy: -46.108
tors. eta vs tors. theta energy: -90.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -936.597158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.597158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.597158 (E_RNA)
where:
Base-Base interactions energy: -647.268
where: short stacking energy: -284.238
Base-Backbone interact. energy: -1.219
local terms energy: -288.110206
where:
bonds (distance) C4'-P energy: -51.428
bonds (distance) P-C4' energy: -54.937
flat angles C4'-P-C4' energy: -53.491
flat angles P-C4'-P energy: -43.810
tors. eta vs tors. theta energy: -84.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -883.984028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.984028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.984028 (E_RNA)
where:
Base-Base interactions energy: -613.119
where: short stacking energy: -267.876
Base-Backbone interact. energy: -1.049
local terms energy: -269.816504
where:
bonds (distance) C4'-P energy: -51.064
bonds (distance) P-C4' energy: -48.119
flat angles C4'-P-C4' energy: -57.783
flat angles P-C4'-P energy: -32.619
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: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -813.496062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.496062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.496062 (E_RNA)
where:
Base-Base interactions energy: -567.016
where: short stacking energy: -242.773
Base-Backbone interact. energy: -0.520
local terms energy: -245.960336
where:
bonds (distance) C4'-P energy: -46.544
bonds (distance) P-C4' energy: -40.154
flat angles C4'-P-C4' energy: -45.563
flat angles P-C4'-P energy: -41.647
tors. eta vs tors. theta energy: -72.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -758.516928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.516928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.516928 (E_RNA)
where:
Base-Base interactions energy: -520.544
where: short stacking energy: -220.525
Base-Backbone interact. energy: 0.937
local terms energy: -238.910749
where:
bonds (distance) C4'-P energy: -44.219
bonds (distance) P-C4' energy: -49.048
flat angles C4'-P-C4' energy: -55.805
flat angles P-C4'-P energy: -35.060
tors. eta vs tors. theta energy: -54.778
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: 7, replica: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -701.415596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.415596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.415596 (E_RNA)
where:
Base-Base interactions energy: -465.949
where: short stacking energy: -195.243
Base-Backbone interact. energy: 1.337
local terms energy: -236.803045
where:
bonds (distance) C4'-P energy: -40.043
bonds (distance) P-C4' energy: -61.638
flat angles C4'-P-C4' energy: -55.712
flat angles P-C4'-P energy: -30.172
tors. eta vs tors. theta energy: -49.238
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: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -656.928089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.928089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.928089 (E_RNA)
where:
Base-Base interactions energy: -435.223
where: short stacking energy: -178.812
Base-Backbone interact. energy: -1.405
local terms energy: -220.300400
where:
bonds (distance) C4'-P energy: -45.447
bonds (distance) P-C4' energy: -44.184
flat angles C4'-P-C4' energy: -56.258
flat angles P-C4'-P energy: -33.771
tors. eta vs tors. theta energy: -40.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -540.304357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.304357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.304357 (E_RNA)
where:
Base-Base interactions energy: -339.214
where: short stacking energy: -137.073
Base-Backbone interact. energy: 0.553
local terms energy: -201.642894
where:
bonds (distance) C4'-P energy: -49.612
bonds (distance) P-C4' energy: -46.226
flat angles C4'-P-C4' energy: -43.999
flat angles P-C4'-P energy: -36.706
tors. eta vs tors. theta energy: -25.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -215.415941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.415941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.415941 (E_RNA)
where:
Base-Base interactions energy: -72.801
where: short stacking energy: -63.717
Base-Backbone interact. energy: 2.576
local terms energy: -145.191003
where:
bonds (distance) C4'-P energy: -40.461
bonds (distance) P-C4' energy: -43.533
flat angles C4'-P-C4' energy: -46.659
flat angles P-C4'-P energy: -17.811
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: 3
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -959.358263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.358263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.358263 (E_RNA)
where:
Base-Base interactions energy: -665.408
where: short stacking energy: -289.194
Base-Backbone interact. energy: -0.496
local terms energy: -293.454426
where:
bonds (distance) C4'-P energy: -56.758
bonds (distance) P-C4' energy: -55.756
flat angles C4'-P-C4' energy: -63.724
flat angles P-C4'-P energy: -32.760
tors. eta vs tors. theta energy: -84.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -936.033404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.033404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.033404 (E_RNA)
where:
Base-Base interactions energy: -647.025
where: short stacking energy: -278.191
Base-Backbone interact. energy: -0.671
local terms energy: -288.338274
where:
bonds (distance) C4'-P energy: -47.892
bonds (distance) P-C4' energy: -45.735
flat angles C4'-P-C4' energy: -63.021
flat angles P-C4'-P energy: -43.843
tors. eta vs tors. theta energy: -87.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -907.942009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.942009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.942009 (E_RNA)
where:
Base-Base interactions energy: -623.810
where: short stacking energy: -264.892
Base-Backbone interact. energy: 0.492
local terms energy: -284.624019
where:
bonds (distance) C4'-P energy: -51.952
bonds (distance) P-C4' energy: -55.030
flat angles C4'-P-C4' energy: -58.159
flat angles P-C4'-P energy: -35.957
tors. eta vs tors. theta energy: -83.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -851.475221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.475221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.475221 (E_RNA)
where:
Base-Base interactions energy: -573.555
where: short stacking energy: -246.621
Base-Backbone interact. energy: -0.847
local terms energy: -277.073135
where:
bonds (distance) C4'-P energy: -48.051
bonds (distance) P-C4' energy: -59.166
flat angles C4'-P-C4' energy: -56.759
flat angles P-C4'-P energy: -39.133
tors. eta vs tors. theta energy: -73.964
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: 207
Temperature: 1.100000
Total energy: -835.985943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.985943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.985943 (E_RNA)
where:
Base-Base interactions energy: -567.158
where: short stacking energy: -256.331
Base-Backbone interact. energy: -1.048
local terms energy: -267.779418
where:
bonds (distance) C4'-P energy: -50.959
bonds (distance) P-C4' energy: -52.560
flat angles C4'-P-C4' energy: -54.322
flat angles P-C4'-P energy: -38.356
tors. eta vs tors. theta energy: -71.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -774.046746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.046746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.046746 (E_RNA)
where:
Base-Base interactions energy: -531.768
where: short stacking energy: -240.965
Base-Backbone interact. energy: 1.276
local terms energy: -243.554886
where:
bonds (distance) C4'-P energy: -37.977
bonds (distance) P-C4' energy: -41.882
flat angles C4'-P-C4' energy: -54.826
flat angles P-C4'-P energy: -41.783
tors. eta vs tors. theta energy: -67.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -724.874584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.874584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.874584 (E_RNA)
where:
Base-Base interactions energy: -489.260
where: short stacking energy: -207.908
Base-Backbone interact. energy: -0.844
local terms energy: -234.770229
where:
bonds (distance) C4'-P energy: -36.479
bonds (distance) P-C4' energy: -46.728
flat angles C4'-P-C4' energy: -55.374
flat angles P-C4'-P energy: -30.923
tors. eta vs tors. theta energy: -65.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -661.843086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.843086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.843086 (E_RNA)
where:
Base-Base interactions energy: -444.770
where: short stacking energy: -174.003
Base-Backbone interact. energy: 0.764
local terms energy: -217.836998
where:
bonds (distance) C4'-P energy: -42.188
bonds (distance) P-C4' energy: -43.977
flat angles C4'-P-C4' energy: -55.220
flat angles P-C4'-P energy: -36.439
tors. eta vs tors. theta energy: -40.012
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: 207
Temperature: 1.300000
Total energy: -524.917497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.917497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.917497 (E_RNA)
where:
Base-Base interactions energy: -354.021
where: short stacking energy: -129.572
Base-Backbone interact. energy: 0.942
local terms energy: -171.839056
where:
bonds (distance) C4'-P energy: -41.026
bonds (distance) P-C4' energy: -48.666
flat angles C4'-P-C4' energy: -40.056
flat angles P-C4'-P energy: -27.348
tors. eta vs tors. theta energy: -14.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -234.309198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.309198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.309198 (E_RNA)
where:
Base-Base interactions energy: -93.917
where: short stacking energy: -91.131
Base-Backbone interact. energy: 1.063
local terms energy: -141.454270
where:
bonds (distance) C4'-P energy: -34.265
bonds (distance) P-C4' energy: -47.596
flat angles C4'-P-C4' energy: -35.201
flat angles P-C4'-P energy: -23.806
tors. eta vs tors. theta energy: -0.586
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: 208
Temperature: 0.900000
Total energy: -952.696123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.696123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.696123 (E_RNA)
where:
Base-Base interactions energy: -649.337
where: short stacking energy: -284.497
Base-Backbone interact. energy: -1.737
local terms energy: -301.622476
where:
bonds (distance) C4'-P energy: -59.582
bonds (distance) P-C4' energy: -54.609
flat angles C4'-P-C4' energy: -54.611
flat angles P-C4'-P energy: -44.435
tors. eta vs tors. theta energy: -88.387
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: 208
Temperature: 0.950000
Total energy: -944.308358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.308358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.308358 (E_RNA)
where:
Base-Base interactions energy: -648.577
where: short stacking energy: -286.877
Base-Backbone interact. energy: -0.482
local terms energy: -295.249392
where:
bonds (distance) C4'-P energy: -56.929
bonds (distance) P-C4' energy: -48.727
flat angles C4'-P-C4' energy: -61.364
flat angles P-C4'-P energy: -45.748
tors. eta vs tors. theta energy: -82.481
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: 208
Temperature: 1.000000
Total energy: -927.005657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.005657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.005657 (E_RNA)
where:
Base-Base interactions energy: -646.734
where: short stacking energy: -273.702
Base-Backbone interact. energy: -0.865
local terms energy: -279.406746
where:
bonds (distance) C4'-P energy: -49.667
bonds (distance) P-C4' energy: -52.523
flat angles C4'-P-C4' energy: -61.230
flat angles P-C4'-P energy: -28.609
tors. eta vs tors. theta energy: -87.377
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: 208
Temperature: 1.050000
Total energy: -878.253271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.253271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.253271 (E_RNA)
where:
Base-Base interactions energy: -609.814
where: short stacking energy: -265.770
Base-Backbone interact. energy: -0.897
local terms energy: -267.542816
where:
bonds (distance) C4'-P energy: -48.810
bonds (distance) P-C4' energy: -49.894
flat angles C4'-P-C4' energy: -52.041
flat angles P-C4'-P energy: -37.369
tors. eta vs tors. theta energy: -79.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -808.114662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.114662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.114662 (E_RNA)
where:
Base-Base interactions energy: -542.330
where: short stacking energy: -233.290
Base-Backbone interact. energy: -0.868
local terms energy: -264.916697
where:
bonds (distance) C4'-P energy: -42.580
bonds (distance) P-C4' energy: -51.572
flat angles C4'-P-C4' energy: -58.768
flat angles P-C4'-P energy: -42.607
tors. eta vs tors. theta energy: -69.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -789.603262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.603262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.603262 (E_RNA)
where:
Base-Base interactions energy: -538.254
where: short stacking energy: -212.604
Base-Backbone interact. energy: -1.143
local terms energy: -250.205972
where:
bonds (distance) C4'-P energy: -46.675
bonds (distance) P-C4' energy: -49.771
flat angles C4'-P-C4' energy: -52.959
flat angles P-C4'-P energy: -32.758
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: 7, replica: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -729.202498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.202498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.202498 (E_RNA)
where:
Base-Base interactions energy: -506.173
where: short stacking energy: -219.424
Base-Backbone interact. energy: -1.122
local terms energy: -221.907166
where:
bonds (distance) C4'-P energy: -46.052
bonds (distance) P-C4' energy: -33.323
flat angles C4'-P-C4' energy: -55.152
flat angles P-C4'-P energy: -30.821
tors. eta vs tors. theta energy: -56.560
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: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -644.786399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.786399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.786399 (E_RNA)
where:
Base-Base interactions energy: -446.756
where: short stacking energy: -197.335
Base-Backbone interact. energy: -0.527
local terms energy: -197.502902
where:
bonds (distance) C4'-P energy: -23.085
bonds (distance) P-C4' energy: -49.908
flat angles C4'-P-C4' energy: -51.271
flat angles P-C4'-P energy: -33.777
tors. eta vs tors. theta energy: -39.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -532.875080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.875080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.875080 (E_RNA)
where:
Base-Base interactions energy: -351.260
where: short stacking energy: -147.294
Base-Backbone interact. energy: 0.901
local terms energy: -182.516377
where:
bonds (distance) C4'-P energy: -45.349
bonds (distance) P-C4' energy: -44.591
flat angles C4'-P-C4' energy: -39.334
flat angles P-C4'-P energy: -19.200
tors. eta vs tors. theta energy: -34.043
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: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -222.311187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.311187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.311187 (E_RNA)
where:
Base-Base interactions energy: -65.548
where: short stacking energy: -62.463
Base-Backbone interact. energy: 1.125
local terms energy: -157.887795
where:
bonds (distance) C4'-P energy: -44.274
bonds (distance) P-C4' energy: -45.838
flat angles C4'-P-C4' energy: -39.116
flat angles P-C4'-P energy: -31.592
tors. eta vs tors. theta energy: 2.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -962.464456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.464456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.464456 (E_RNA)
where:
Base-Base interactions energy: -659.777
where: short stacking energy: -281.581
Base-Backbone interact. energy: -1.866
local terms energy: -300.822029
where:
bonds (distance) C4'-P energy: -56.780
bonds (distance) P-C4' energy: -54.750
flat angles C4'-P-C4' energy: -63.527
flat angles P-C4'-P energy: -38.780
tors. eta vs tors. theta energy: -86.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -945.693117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.693117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.693117 (E_RNA)
where:
Base-Base interactions energy: -641.900
where: short stacking energy: -289.713
Base-Backbone interact. energy: -0.325
local terms energy: -303.468140
where:
bonds (distance) C4'-P energy: -55.976
bonds (distance) P-C4' energy: -57.569
flat angles C4'-P-C4' energy: -61.761
flat angles P-C4'-P energy: -44.664
tors. eta vs tors. theta energy: -83.498
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: 5
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -924.636293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.636293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.636293 (E_RNA)
where:
Base-Base interactions energy: -628.068
where: short stacking energy: -274.849
Base-Backbone interact. energy: -1.418
local terms energy: -295.149773
where:
bonds (distance) C4'-P energy: -48.544
bonds (distance) P-C4' energy: -55.993
flat angles C4'-P-C4' energy: -61.488
flat angles P-C4'-P energy: -45.433
tors. eta vs tors. theta energy: -83.691
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: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -838.293221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.293221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.293221 (E_RNA)
where:
Base-Base interactions energy: -577.210
where: short stacking energy: -255.472
Base-Backbone interact. energy: 0.549
local terms energy: -261.632750
where:
bonds (distance) C4'-P energy: -36.950
bonds (distance) P-C4' energy: -52.762
flat angles C4'-P-C4' energy: -60.232
flat angles P-C4'-P energy: -41.482
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: 5, replica: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -835.140481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.140481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.140481 (E_RNA)
where:
Base-Base interactions energy: -578.344
where: short stacking energy: -240.144
Base-Backbone interact. energy: -0.791
local terms energy: -256.005083
where:
bonds (distance) C4'-P energy: -44.141
bonds (distance) P-C4' energy: -41.830
flat angles C4'-P-C4' energy: -57.120
flat angles P-C4'-P energy: -44.168
tors. eta vs tors. theta energy: -68.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -779.556234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.556234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.556234 (E_RNA)
where:
Base-Base interactions energy: -550.162
where: short stacking energy: -232.422
Base-Backbone interact. energy: -0.812
local terms energy: -228.581618
where:
bonds (distance) C4'-P energy: -35.921
bonds (distance) P-C4' energy: -49.517
flat angles C4'-P-C4' energy: -51.174
flat angles P-C4'-P energy: -29.359
tors. eta vs tors. theta energy: -62.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -733.929832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.929832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.929832 (E_RNA)
where:
Base-Base interactions energy: -507.984
where: short stacking energy: -222.341
Base-Backbone interact. energy: -0.631
local terms energy: -225.315201
where:
bonds (distance) C4'-P energy: -38.738
bonds (distance) P-C4' energy: -49.179
flat angles C4'-P-C4' energy: -47.607
flat angles P-C4'-P energy: -30.000
tors. eta vs tors. theta energy: -59.791
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: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -604.360827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.360827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.360827 (E_RNA)
where:
Base-Base interactions energy: -389.504
where: short stacking energy: -188.160
Base-Backbone interact. energy: 0.599
local terms energy: -215.456022
where:
bonds (distance) C4'-P energy: -41.724
bonds (distance) P-C4' energy: -43.047
flat angles C4'-P-C4' energy: -47.208
flat angles P-C4'-P energy: -28.789
tors. eta vs tors. theta energy: -54.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -541.832438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.832438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.832438 (E_RNA)
where:
Base-Base interactions energy: -361.614
where: short stacking energy: -161.035
Base-Backbone interact. energy: 0.063
local terms energy: -180.281249
where:
bonds (distance) C4'-P energy: -37.519
bonds (distance) P-C4' energy: -36.110
flat angles C4'-P-C4' energy: -37.462
flat angles P-C4'-P energy: -43.291
tors. eta vs tors. theta energy: -25.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -275.595353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.595353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.595353 (E_RNA)
where:
Base-Base interactions energy: -110.957
where: short stacking energy: -91.676
Base-Backbone interact. energy: -0.274
local terms energy: -164.364439
where:
bonds (distance) C4'-P energy: -36.810
bonds (distance) P-C4' energy: -42.167
flat angles C4'-P-C4' energy: -46.229
flat angles P-C4'-P energy: -29.897
tors. eta vs tors. theta energy: -9.261
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: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -973.473881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.473881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.473881 (E_RNA)
where:
Base-Base interactions energy: -685.994
where: short stacking energy: -289.731
Base-Backbone interact. energy: 0.207
local terms energy: -287.686809
where:
bonds (distance) C4'-P energy: -55.910
bonds (distance) P-C4' energy: -51.782
flat angles C4'-P-C4' energy: -50.980
flat angles P-C4'-P energy: -41.000
tors. eta vs tors. theta energy: -88.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -936.754994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.754994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.754994 (E_RNA)
where:
Base-Base interactions energy: -637.752
where: short stacking energy: -287.068
Base-Backbone interact. energy: -0.806
local terms energy: -298.197056
where:
bonds (distance) C4'-P energy: -54.780
bonds (distance) P-C4' energy: -63.753
flat angles C4'-P-C4' energy: -64.333
flat angles P-C4'-P energy: -30.595
tors. eta vs tors. theta energy: -84.736
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: 5
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -949.758549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.758549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.758549 (E_RNA)
where:
Base-Base interactions energy: -654.758
where: short stacking energy: -283.027
Base-Backbone interact. energy: -1.120
local terms energy: -293.880594
where:
bonds (distance) C4'-P energy: -43.152
bonds (distance) P-C4' energy: -56.326
flat angles C4'-P-C4' energy: -63.170
flat angles P-C4'-P energy: -38.431
tors. eta vs tors. theta energy: -92.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -847.508689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.508689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.508689 (E_RNA)
where:
Base-Base interactions energy: -565.919
where: short stacking energy: -254.827
Base-Backbone interact. energy: -1.135
local terms energy: -280.454715
where:
bonds (distance) C4'-P energy: -50.401
bonds (distance) P-C4' energy: -55.262
flat angles C4'-P-C4' energy: -60.314
flat angles P-C4'-P energy: -37.388
tors. eta vs tors. theta energy: -77.090
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: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -817.031288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.031288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.031288 (E_RNA)
where:
Base-Base interactions energy: -563.190
where: short stacking energy: -222.405
Base-Backbone interact. energy: -0.638
local terms energy: -253.202442
where:
bonds (distance) C4'-P energy: -51.364
bonds (distance) P-C4' energy: -51.483
flat angles C4'-P-C4' energy: -51.660
flat angles P-C4'-P energy: -37.076
tors. eta vs tors. theta energy: -61.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -815.169421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.169421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.169421 (E_RNA)
where:
Base-Base interactions energy: -553.513
where: short stacking energy: -237.943
Base-Backbone interact. energy: -0.874
local terms energy: -260.783060
where:
bonds (distance) C4'-P energy: -45.769
bonds (distance) P-C4' energy: -57.582
flat angles C4'-P-C4' energy: -53.034
flat angles P-C4'-P energy: -36.703
tors. eta vs tors. theta energy: -67.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -725.038279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.038279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.038279 (E_RNA)
where:
Base-Base interactions energy: -497.193
where: short stacking energy: -210.723
Base-Backbone interact. energy: -1.646
local terms energy: -226.199723
where:
bonds (distance) C4'-P energy: -43.806
bonds (distance) P-C4' energy: -40.738
flat angles C4'-P-C4' energy: -46.499
flat angles P-C4'-P energy: -37.431
tors. eta vs tors. theta energy: -57.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -600.268259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.268259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.268259 (E_RNA)
where:
Base-Base interactions energy: -397.827
where: short stacking energy: -176.936
Base-Backbone interact. energy: -0.738
local terms energy: -201.702707
where:
bonds (distance) C4'-P energy: -34.065
bonds (distance) P-C4' energy: -46.324
flat angles C4'-P-C4' energy: -52.240
flat angles P-C4'-P energy: -23.200
tors. eta vs tors. theta energy: -45.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -548.414993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.414993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.414993 (E_RNA)
where:
Base-Base interactions energy: -354.086
where: short stacking energy: -152.168
Base-Backbone interact. energy: -3.432
local terms energy: -190.897469
where:
bonds (distance) C4'-P energy: -44.318
bonds (distance) P-C4' energy: -36.703
flat angles C4'-P-C4' energy: -43.647
flat angles P-C4'-P energy: -34.698
tors. eta vs tors. theta energy: -31.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -226.709668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.709668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.709668 (E_RNA)
where:
Base-Base interactions energy: -91.266
where: short stacking energy: -64.092
Base-Backbone interact. energy: 3.250
local terms energy: -138.693077
where:
bonds (distance) C4'-P energy: -39.906
bonds (distance) P-C4' energy: -48.134
flat angles C4'-P-C4' energy: -44.668
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: 10.158
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: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -963.989766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.989766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.989766 (E_RNA)
where:
Base-Base interactions energy: -669.858
where: short stacking energy: -288.475
Base-Backbone interact. energy: -0.659
local terms energy: -293.473261
where:
bonds (distance) C4'-P energy: -44.263
bonds (distance) P-C4' energy: -58.444
flat angles C4'-P-C4' energy: -55.712
flat angles P-C4'-P energy: -45.883
tors. eta vs tors. theta energy: -89.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -926.395714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.395714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.395714 (E_RNA)
where:
Base-Base interactions energy: -617.818
where: short stacking energy: -274.097
Base-Backbone interact. energy: -1.333
local terms energy: -307.245318
where:
bonds (distance) C4'-P energy: -50.758
bonds (distance) P-C4' energy: -60.558
flat angles C4'-P-C4' energy: -67.574
flat angles P-C4'-P energy: -45.352
tors. eta vs tors. theta energy: -83.003
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: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -912.276815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.276815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.276815 (E_RNA)
where:
Base-Base interactions energy: -649.213
where: short stacking energy: -263.262
Base-Backbone interact. energy: 0.349
local terms energy: -263.412193
where:
bonds (distance) C4'-P energy: -45.046
bonds (distance) P-C4' energy: -42.901
flat angles C4'-P-C4' energy: -56.891
flat angles P-C4'-P energy: -40.770
tors. eta vs tors. theta energy: -77.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -830.699708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.699708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.699708 (E_RNA)
where:
Base-Base interactions energy: -557.304
where: short stacking energy: -236.122
Base-Backbone interact. energy: -0.300
local terms energy: -273.095160
where:
bonds (distance) C4'-P energy: -40.372
bonds (distance) P-C4' energy: -59.100
flat angles C4'-P-C4' energy: -57.234
flat angles P-C4'-P energy: -40.996
tors. eta vs tors. theta energy: -75.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -805.274656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.274656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.274656 (E_RNA)
where:
Base-Base interactions energy: -543.713
where: short stacking energy: -238.344
Base-Backbone interact. energy: -1.011
local terms energy: -260.550635
where:
bonds (distance) C4'-P energy: -51.926
bonds (distance) P-C4' energy: -50.575
flat angles C4'-P-C4' energy: -46.943
flat angles P-C4'-P energy: -37.082
tors. eta vs tors. theta energy: -74.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -790.984303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.984303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.984303 (E_RNA)
where:
Base-Base interactions energy: -530.734
where: short stacking energy: -234.348
Base-Backbone interact. energy: -0.968
local terms energy: -259.282091
where:
bonds (distance) C4'-P energy: -51.195
bonds (distance) P-C4' energy: -48.017
flat angles C4'-P-C4' energy: -58.570
flat angles P-C4'-P energy: -32.730
tors. eta vs tors. theta energy: -68.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -721.389033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.389033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.389033 (E_RNA)
where:
Base-Base interactions energy: -490.374
where: short stacking energy: -210.739
Base-Backbone interact. energy: -1.057
local terms energy: -229.958245
where:
bonds (distance) C4'-P energy: -42.836
bonds (distance) P-C4' energy: -42.401
flat angles C4'-P-C4' energy: -49.950
flat angles P-C4'-P energy: -38.733
tors. eta vs tors. theta energy: -56.039
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: 8, replica: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -649.673292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.673292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.673292 (E_RNA)
where:
Base-Base interactions energy: -432.084
where: short stacking energy: -180.504
Base-Backbone interact. energy: -0.537
local terms energy: -217.051830
where:
bonds (distance) C4'-P energy: -47.533
bonds (distance) P-C4' energy: -37.488
flat angles C4'-P-C4' energy: -51.906
flat angles P-C4'-P energy: -30.101
tors. eta vs tors. theta energy: -50.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -507.506828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.506828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.506828 (E_RNA)
where:
Base-Base interactions energy: -324.211
where: short stacking energy: -124.922
Base-Backbone interact. energy: -0.436
local terms energy: -182.859435
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -53.499
flat angles C4'-P-C4' energy: -43.801
flat angles P-C4'-P energy: -31.507
tors. eta vs tors. theta energy: -21.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -220.554250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.554250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.554250 (E_RNA)
where:
Base-Base interactions energy: -76.543
where: short stacking energy: -70.705
Base-Backbone interact. energy: 3.535
local terms energy: -147.545769
where:
bonds (distance) C4'-P energy: -37.679
bonds (distance) P-C4' energy: -47.004
flat angles C4'-P-C4' energy: -36.659
flat angles P-C4'-P energy: -27.854
tors. eta vs tors. theta energy: 1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -958.826837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.826837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.826837 (E_RNA)
where:
Base-Base interactions energy: -673.790
where: short stacking energy: -301.252
Base-Backbone interact. energy: -1.183
local terms energy: -283.853732
where:
bonds (distance) C4'-P energy: -54.292
bonds (distance) P-C4' energy: -47.347
flat angles C4'-P-C4' energy: -60.419
flat angles P-C4'-P energy: -41.118
tors. eta vs tors. theta energy: -80.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -939.292046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.292046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.292046 (E_RNA)
where:
Base-Base interactions energy: -649.615
where: short stacking energy: -290.764
Base-Backbone interact. energy: -0.458
local terms energy: -289.219085
where:
bonds (distance) C4'-P energy: -53.671
bonds (distance) P-C4' energy: -45.163
flat angles C4'-P-C4' energy: -59.866
flat angles P-C4'-P energy: -42.209
tors. eta vs tors. theta energy: -88.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -915.127356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.127356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.127356 (E_RNA)
where:
Base-Base interactions energy: -623.269
where: short stacking energy: -258.274
Base-Backbone interact. energy: -0.953
local terms energy: -290.905524
where:
bonds (distance) C4'-P energy: -50.449
bonds (distance) P-C4' energy: -55.080
flat angles C4'-P-C4' energy: -58.751
flat angles P-C4'-P energy: -44.324
tors. eta vs tors. theta energy: -82.301
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: 4, replica: 8
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -818.767971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.767971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.767971 (E_RNA)
where:
Base-Base interactions energy: -558.561
where: short stacking energy: -237.050
Base-Backbone interact. energy: -0.993
local terms energy: -259.213025
where:
bonds (distance) C4'-P energy: -50.102
bonds (distance) P-C4' energy: -55.991
flat angles C4'-P-C4' energy: -51.460
flat angles P-C4'-P energy: -32.775
tors. eta vs tors. theta energy: -68.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -846.665324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.665324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.665324 (E_RNA)
where:
Base-Base interactions energy: -571.472
where: short stacking energy: -251.000
Base-Backbone interact. energy: -0.438
local terms energy: -274.755158
where:
bonds (distance) C4'-P energy: -48.739
bonds (distance) P-C4' energy: -53.232
flat angles C4'-P-C4' energy: -61.204
flat angles P-C4'-P energy: -32.471
tors. eta vs tors. theta energy: -79.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -797.696125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.696125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.696125 (E_RNA)
where:
Base-Base interactions energy: -545.984
where: short stacking energy: -247.527
Base-Backbone interact. energy: -0.231
local terms energy: -251.480807
where:
bonds (distance) C4'-P energy: -36.989
bonds (distance) P-C4' energy: -46.449
flat angles C4'-P-C4' energy: -56.536
flat angles P-C4'-P energy: -39.570
tors. eta vs tors. theta energy: -71.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -761.965223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.965223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.965223 (E_RNA)
where:
Base-Base interactions energy: -537.889
where: short stacking energy: -228.089
Base-Backbone interact. energy: 3.794
local terms energy: -227.869873
where:
bonds (distance) C4'-P energy: -39.616
bonds (distance) P-C4' energy: -45.397
flat angles C4'-P-C4' energy: -46.227
flat angles P-C4'-P energy: -38.032
tors. eta vs tors. theta energy: -58.598
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: 212
Temperature: 1.250000
Total energy: -649.342557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.342557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.342557 (E_RNA)
where:
Base-Base interactions energy: -431.503
where: short stacking energy: -190.770
Base-Backbone interact. energy: -0.599
local terms energy: -217.240587
where:
bonds (distance) C4'-P energy: -43.174
bonds (distance) P-C4' energy: -42.263
flat angles C4'-P-C4' energy: -46.044
flat angles P-C4'-P energy: -37.264
tors. eta vs tors. theta energy: -48.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -547.543075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.543075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.543075 (E_RNA)
where:
Base-Base interactions energy: -353.885
where: short stacking energy: -161.624
Base-Backbone interact. energy: -0.607
local terms energy: -193.050811
where:
bonds (distance) C4'-P energy: -47.091
bonds (distance) P-C4' energy: -42.373
flat angles C4'-P-C4' energy: -44.119
flat angles P-C4'-P energy: -32.063
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: 10, replica: 10
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -238.475916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.475916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.475916 (E_RNA)
where:
Base-Base interactions energy: -80.521
where: short stacking energy: -77.546
Base-Backbone interact. energy: 0.196
local terms energy: -158.150967
where:
bonds (distance) C4'-P energy: -48.330
bonds (distance) P-C4' energy: -46.903
flat angles C4'-P-C4' energy: -46.211
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -0.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -967.529509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.529509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.529509 (E_RNA)
where:
Base-Base interactions energy: -667.419
where: short stacking energy: -292.923
Base-Backbone interact. energy: 0.824
local terms energy: -300.934334
where:
bonds (distance) C4'-P energy: -50.479
bonds (distance) P-C4' energy: -52.061
flat angles C4'-P-C4' energy: -64.057
flat angles P-C4'-P energy: -45.004
tors. eta vs tors. theta energy: -89.334
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: 2, replica: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -926.858929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.858929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.858929 (E_RNA)
where:
Base-Base interactions energy: -647.973
where: short stacking energy: -270.625
Base-Backbone interact. energy: -1.521
local terms energy: -277.365277
where:
bonds (distance) C4'-P energy: -48.530
bonds (distance) P-C4' energy: -49.034
flat angles C4'-P-C4' energy: -56.709
flat angles P-C4'-P energy: -39.470
tors. eta vs tors. theta energy: -83.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -914.514529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.514529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.514529 (E_RNA)
where:
Base-Base interactions energy: -628.877
where: short stacking energy: -272.200
Base-Backbone interact. energy: -0.713
local terms energy: -284.924435
where:
bonds (distance) C4'-P energy: -56.333
bonds (distance) P-C4' energy: -46.660
flat angles C4'-P-C4' energy: -60.754
flat angles P-C4'-P energy: -39.537
tors. eta vs tors. theta energy: -81.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -833.066660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.066660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.066660 (E_RNA)
where:
Base-Base interactions energy: -582.486
where: short stacking energy: -259.773
Base-Backbone interact. energy: -1.094
local terms energy: -249.486940
where:
bonds (distance) C4'-P energy: -38.797
bonds (distance) P-C4' energy: -52.438
flat angles C4'-P-C4' energy: -51.922
flat angles P-C4'-P energy: -36.630
tors. eta vs tors. theta energy: -69.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -805.252524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.252524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.252524 (E_RNA)
where:
Base-Base interactions energy: -557.435
where: short stacking energy: -236.269
Base-Backbone interact. energy: 0.181
local terms energy: -247.998507
where:
bonds (distance) C4'-P energy: -36.796
bonds (distance) P-C4' energy: -44.351
flat angles C4'-P-C4' energy: -50.461
flat angles P-C4'-P energy: -42.862
tors. eta vs tors. theta energy: -73.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -760.603731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.603731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.603731 (E_RNA)
where:
Base-Base interactions energy: -518.954
where: short stacking energy: -218.579
Base-Backbone interact. energy: -1.312
local terms energy: -240.337576
where:
bonds (distance) C4'-P energy: -42.521
bonds (distance) P-C4' energy: -43.665
flat angles C4'-P-C4' energy: -55.850
flat angles P-C4'-P energy: -30.898
tors. eta vs tors. theta energy: -67.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -744.681441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.681441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.681441 (E_RNA)
where:
Base-Base interactions energy: -498.557
where: short stacking energy: -215.621
Base-Backbone interact. energy: -1.029
local terms energy: -245.094972
where:
bonds (distance) C4'-P energy: -45.892
bonds (distance) P-C4' energy: -44.658
flat angles C4'-P-C4' energy: -58.578
flat angles P-C4'-P energy: -39.023
tors. eta vs tors. theta energy: -56.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -648.494759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.494759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.494759 (E_RNA)
where:
Base-Base interactions energy: -427.218
where: short stacking energy: -193.492
Base-Backbone interact. energy: -1.065
local terms energy: -220.211352
where:
bonds (distance) C4'-P energy: -37.306
bonds (distance) P-C4' energy: -43.931
flat angles C4'-P-C4' energy: -51.645
flat angles P-C4'-P energy: -39.913
tors. eta vs tors. theta energy: -47.417
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: 213
Temperature: 1.300000
Total energy: -569.656511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.656511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.656511 (E_RNA)
where:
Base-Base interactions energy: -384.698
where: short stacking energy: -149.233
Base-Backbone interact. energy: 0.677
local terms energy: -185.635317
where:
bonds (distance) C4'-P energy: -35.338
bonds (distance) P-C4' energy: -49.797
flat angles C4'-P-C4' energy: -48.513
flat angles P-C4'-P energy: -23.077
tors. eta vs tors. theta energy: -28.910
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: 10, replica: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -230.979281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.979281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.979281 (E_RNA)
where:
Base-Base interactions energy: -76.949
where: short stacking energy: -52.019
Base-Backbone interact. energy: -2.176
local terms energy: -151.854357
where:
bonds (distance) C4'-P energy: -43.762
bonds (distance) P-C4' energy: -49.170
flat angles C4'-P-C4' energy: -27.950
flat angles P-C4'-P energy: -37.222
tors. eta vs tors. theta energy: 6.250
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: 214
Temperature: 0.900000
Total energy: -945.868397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.868397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.868397 (E_RNA)
where:
Base-Base interactions energy: -646.662
where: short stacking energy: -278.355
Base-Backbone interact. energy: -0.506
local terms energy: -298.700623
where:
bonds (distance) C4'-P energy: -52.625
bonds (distance) P-C4' energy: -51.371
flat angles C4'-P-C4' energy: -59.177
flat angles P-C4'-P energy: -46.253
tors. eta vs tors. theta energy: -89.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -924.820448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.820448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.820448 (E_RNA)
where:
Base-Base interactions energy: -642.280
where: short stacking energy: -284.730
Base-Backbone interact. energy: -1.189
local terms energy: -281.351536
where:
bonds (distance) C4'-P energy: -51.736
bonds (distance) P-C4' energy: -46.638
flat angles C4'-P-C4' energy: -57.393
flat angles P-C4'-P energy: -37.544
tors. eta vs tors. theta energy: -88.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -909.391998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.391998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.391998 (E_RNA)
where:
Base-Base interactions energy: -618.167
where: short stacking energy: -272.631
Base-Backbone interact. energy: -0.691
local terms energy: -290.534043
where:
bonds (distance) C4'-P energy: -50.743
bonds (distance) P-C4' energy: -57.509
flat angles C4'-P-C4' energy: -60.598
flat angles P-C4'-P energy: -37.369
tors. eta vs tors. theta energy: -84.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -850.790420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.790420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.790420 (E_RNA)
where:
Base-Base interactions energy: -587.803
where: short stacking energy: -262.613
Base-Backbone interact. energy: -0.676
local terms energy: -262.311356
where:
bonds (distance) C4'-P energy: -57.107
bonds (distance) P-C4' energy: -46.195
flat angles C4'-P-C4' energy: -53.237
flat angles P-C4'-P energy: -38.899
tors. eta vs tors. theta energy: -66.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -791.051281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.051281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.051281 (E_RNA)
where:
Base-Base interactions energy: -542.511
where: short stacking energy: -226.257
Base-Backbone interact. energy: -0.475
local terms energy: -248.064644
where:
bonds (distance) C4'-P energy: -54.819
bonds (distance) P-C4' energy: -52.025
flat angles C4'-P-C4' energy: -53.724
flat angles P-C4'-P energy: -29.044
tors. eta vs tors. theta energy: -58.452
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: 214
Temperature: 1.150000
Total energy: -737.420594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.420594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.420594 (E_RNA)
where:
Base-Base interactions energy: -519.954
where: short stacking energy: -219.329
Base-Backbone interact. energy: -0.818
local terms energy: -216.648036
where:
bonds (distance) C4'-P energy: -36.903
bonds (distance) P-C4' energy: -43.646
flat angles C4'-P-C4' energy: -47.245
flat angles P-C4'-P energy: -30.673
tors. eta vs tors. theta energy: -58.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -662.713527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.713527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.713527 (E_RNA)
where:
Base-Base interactions energy: -442.929
where: short stacking energy: -189.821
Base-Backbone interact. energy: 1.241
local terms energy: -221.025242
where:
bonds (distance) C4'-P energy: -45.477
bonds (distance) P-C4' energy: -46.487
flat angles C4'-P-C4' energy: -48.929
flat angles P-C4'-P energy: -30.390
tors. eta vs tors. theta energy: -49.742
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: 8, replica: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -752.726637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.726637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.726637 (E_RNA)
where:
Base-Base interactions energy: -510.497
where: short stacking energy: -234.545
Base-Backbone interact. energy: 0.192
local terms energy: -242.422169
where:
bonds (distance) C4'-P energy: -40.909
bonds (distance) P-C4' energy: -42.722
flat angles C4'-P-C4' energy: -57.425
flat angles P-C4'-P energy: -33.423
tors. eta vs tors. theta energy: -67.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -574.693077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.693077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.693077 (E_RNA)
where:
Base-Base interactions energy: -394.280
where: short stacking energy: -159.279
Base-Backbone interact. energy: 3.540
local terms energy: -183.952745
where:
bonds (distance) C4'-P energy: -35.606
bonds (distance) P-C4' energy: -41.689
flat angles C4'-P-C4' energy: -45.792
flat angles P-C4'-P energy: -28.732
tors. eta vs tors. theta energy: -32.135
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: 214
Temperature: 1.350000
Total energy: -237.540377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.540377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.540377 (E_RNA)
where:
Base-Base interactions energy: -80.847
where: short stacking energy: -76.676
Base-Backbone interact. energy: -1.652
local terms energy: -155.041787
where:
bonds (distance) C4'-P energy: -54.751
bonds (distance) P-C4' energy: -48.812
flat angles C4'-P-C4' energy: -31.714
flat angles P-C4'-P energy: -20.915
tors. eta vs tors. theta energy: 1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -951.597740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.597740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.597740 (E_RNA)
where:
Base-Base interactions energy: -658.398
where: short stacking energy: -291.234
Base-Backbone interact. energy: -0.900
local terms energy: -292.299399
where:
bonds (distance) C4'-P energy: -43.417
bonds (distance) P-C4' energy: -54.414
flat angles C4'-P-C4' energy: -57.891
flat angles P-C4'-P energy: -47.479
tors. eta vs tors. theta energy: -89.097
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: 215
Temperature: 0.950000
Total energy: -935.570586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.570586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.570586 (E_RNA)
where:
Base-Base interactions energy: -656.834
where: short stacking energy: -282.165
Base-Backbone interact. energy: 2.884
local terms energy: -281.620870
where:
bonds (distance) C4'-P energy: -53.305
bonds (distance) P-C4' energy: -51.458
flat angles C4'-P-C4' energy: -54.328
flat angles P-C4'-P energy: -41.778
tors. eta vs tors. theta energy: -80.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -904.720074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.720074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.720074 (E_RNA)
where:
Base-Base interactions energy: -620.969
where: short stacking energy: -269.657
Base-Backbone interact. energy: 0.522
local terms energy: -284.272752
where:
bonds (distance) C4'-P energy: -50.796
bonds (distance) P-C4' energy: -53.306
flat angles C4'-P-C4' energy: -58.603
flat angles P-C4'-P energy: -40.522
tors. eta vs tors. theta energy: -81.045
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: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -851.391147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.391147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.391147 (E_RNA)
where:
Base-Base interactions energy: -573.728
where: short stacking energy: -256.036
Base-Backbone interact. energy: 2.683
local terms energy: -280.345735
where:
bonds (distance) C4'-P energy: -51.769
bonds (distance) P-C4' energy: -54.803
flat angles C4'-P-C4' energy: -58.892
flat angles P-C4'-P energy: -37.769
tors. eta vs tors. theta energy: -77.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -789.261800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.261800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.261800 (E_RNA)
where:
Base-Base interactions energy: -526.541
where: short stacking energy: -227.407
Base-Backbone interact. energy: -1.815
local terms energy: -260.905228
where:
bonds (distance) C4'-P energy: -48.706
bonds (distance) P-C4' energy: -55.284
flat angles C4'-P-C4' energy: -56.015
flat angles P-C4'-P energy: -35.925
tors. eta vs tors. theta energy: -64.976
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: 215
Temperature: 1.150000
Total energy: -782.703792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.703792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.703792 (E_RNA)
where:
Base-Base interactions energy: -539.363
where: short stacking energy: -239.970
Base-Backbone interact. energy: -0.153
local terms energy: -243.188396
where:
bonds (distance) C4'-P energy: -36.324
bonds (distance) P-C4' energy: -48.048
flat angles C4'-P-C4' energy: -52.023
flat angles P-C4'-P energy: -35.799
tors. eta vs tors. theta energy: -70.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -677.708342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.708342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.708342 (E_RNA)
where:
Base-Base interactions energy: -447.259
where: short stacking energy: -191.730
Base-Backbone interact. energy: -0.158
local terms energy: -230.291708
where:
bonds (distance) C4'-P energy: -40.997
bonds (distance) P-C4' energy: -47.283
flat angles C4'-P-C4' energy: -51.829
flat angles P-C4'-P energy: -39.382
tors. eta vs tors. theta energy: -50.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -726.007730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.007730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.007730 (E_RNA)
where:
Base-Base interactions energy: -498.208
where: short stacking energy: -224.395
Base-Backbone interact. energy: -1.212
local terms energy: -226.587717
where:
bonds (distance) C4'-P energy: -46.663
bonds (distance) P-C4' energy: -46.344
flat angles C4'-P-C4' energy: -53.272
flat angles P-C4'-P energy: -26.093
tors. eta vs tors. theta energy: -54.216
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: 215
Temperature: 1.300000
Total energy: -564.145539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.145539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.145539 (E_RNA)
where:
Base-Base interactions energy: -365.602
where: short stacking energy: -153.741
Base-Backbone interact. energy: -1.236
local terms energy: -197.308025
where:
bonds (distance) C4'-P energy: -47.375
bonds (distance) P-C4' energy: -44.433
flat angles C4'-P-C4' energy: -47.750
flat angles P-C4'-P energy: -20.681
tors. eta vs tors. theta energy: -37.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -224.200307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.200307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.200307 (E_RNA)
where:
Base-Base interactions energy: -67.826
where: short stacking energy: -60.183
Base-Backbone interact. energy: -0.282
local terms energy: -156.092382
where:
bonds (distance) C4'-P energy: -32.561
bonds (distance) P-C4' energy: -51.618
flat angles C4'-P-C4' energy: -38.725
flat angles P-C4'-P energy: -27.523
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -964.606527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.606527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.606527 (E_RNA)
where:
Base-Base interactions energy: -678.181
where: short stacking energy: -274.100
Base-Backbone interact. energy: -0.755
local terms energy: -285.670224
where:
bonds (distance) C4'-P energy: -54.477
bonds (distance) P-C4' energy: -52.371
flat angles C4'-P-C4' energy: -56.798
flat angles P-C4'-P energy: -44.122
tors. eta vs tors. theta energy: -77.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -919.664256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.664256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.664256 (E_RNA)
where:
Base-Base interactions energy: -625.351
where: short stacking energy: -268.246
Base-Backbone interact. energy: -1.916
local terms energy: -292.397994
where:
bonds (distance) C4'-P energy: -43.605
bonds (distance) P-C4' energy: -58.100
flat angles C4'-P-C4' energy: -59.475
flat angles P-C4'-P energy: -48.673
tors. eta vs tors. theta energy: -82.544
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: 216
Temperature: 1.000000
Total energy: -913.041031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.041031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.041031 (E_RNA)
where:
Base-Base interactions energy: -623.098
where: short stacking energy: -275.096
Base-Backbone interact. energy: -1.212
local terms energy: -288.731643
where:
bonds (distance) C4'-P energy: -45.592
bonds (distance) P-C4' energy: -51.268
flat angles C4'-P-C4' energy: -61.436
flat angles P-C4'-P energy: -45.184
tors. eta vs tors. theta energy: -85.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -839.242766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.242766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.242766 (E_RNA)
where:
Base-Base interactions energy: -574.792
where: short stacking energy: -263.064
Base-Backbone interact. energy: 2.858
local terms energy: -267.308772
where:
bonds (distance) C4'-P energy: -54.601
bonds (distance) P-C4' energy: -41.583
flat angles C4'-P-C4' energy: -62.046
flat angles P-C4'-P energy: -31.989
tors. eta vs tors. theta energy: -77.090
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: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -804.777758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.777758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.777758 (E_RNA)
where:
Base-Base interactions energy: -560.201
where: short stacking energy: -239.383
Base-Backbone interact. energy: 1.937
local terms energy: -246.513823
where:
bonds (distance) C4'-P energy: -44.048
bonds (distance) P-C4' energy: -38.035
flat angles C4'-P-C4' energy: -56.046
flat angles P-C4'-P energy: -38.820
tors. eta vs tors. theta energy: -69.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -761.187597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.187597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.187597 (E_RNA)
where:
Base-Base interactions energy: -518.015
where: short stacking energy: -221.219
Base-Backbone interact. energy: -0.935
local terms energy: -242.238151
where:
bonds (distance) C4'-P energy: -33.778
bonds (distance) P-C4' energy: -52.696
flat angles C4'-P-C4' energy: -51.761
flat angles P-C4'-P energy: -36.799
tors. eta vs tors. theta energy: -67.204
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: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -666.886941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.886941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.886941 (E_RNA)
where:
Base-Base interactions energy: -442.393
where: short stacking energy: -184.851
Base-Backbone interact. energy: -0.155
local terms energy: -224.339594
where:
bonds (distance) C4'-P energy: -46.386
bonds (distance) P-C4' energy: -47.034
flat angles C4'-P-C4' energy: -52.948
flat angles P-C4'-P energy: -28.644
tors. eta vs tors. theta energy: -49.327
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: 8, replica: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -709.102759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.102759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.102759 (E_RNA)
where:
Base-Base interactions energy: -496.357
where: short stacking energy: -226.521
Base-Backbone interact. energy: -0.595
local terms energy: -212.150109
where:
bonds (distance) C4'-P energy: -37.626
bonds (distance) P-C4' energy: -41.897
flat angles C4'-P-C4' energy: -39.276
flat angles P-C4'-P energy: -27.647
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: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -575.802825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.802825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.802825 (E_RNA)
where:
Base-Base interactions energy: -371.696
where: short stacking energy: -178.619
Base-Backbone interact. energy: 2.626
local terms energy: -206.732578
where:
bonds (distance) C4'-P energy: -43.430
bonds (distance) P-C4' energy: -42.177
flat angles C4'-P-C4' energy: -43.895
flat angles P-C4'-P energy: -29.091
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: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -246.829811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.829811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.829811 (E_RNA)
where:
Base-Base interactions energy: -85.437
where: short stacking energy: -63.118
Base-Backbone interact. energy: -1.955
local terms energy: -159.437933
where:
bonds (distance) C4'-P energy: -44.378
bonds (distance) P-C4' energy: -46.450
flat angles C4'-P-C4' energy: -39.736
flat angles P-C4'-P energy: -22.632
tors. eta vs tors. theta energy: -6.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -948.196702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.196702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.196702 (E_RNA)
where:
Base-Base interactions energy: -646.879
where: short stacking energy: -278.584
Base-Backbone interact. energy: -0.429
local terms energy: -300.888792
where:
bonds (distance) C4'-P energy: -58.832
bonds (distance) P-C4' energy: -58.008
flat angles C4'-P-C4' energy: -61.762
flat angles P-C4'-P energy: -38.421
tors. eta vs tors. theta energy: -83.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -918.609451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.609451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.609451 (E_RNA)
where:
Base-Base interactions energy: -631.946
where: short stacking energy: -271.228
Base-Backbone interact. energy: -0.995
local terms energy: -285.668335
where:
bonds (distance) C4'-P energy: -53.830
bonds (distance) P-C4' energy: -59.103
flat angles C4'-P-C4' energy: -55.375
flat angles P-C4'-P energy: -39.812
tors. eta vs tors. theta energy: -77.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -914.159995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.159995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.159995 (E_RNA)
where:
Base-Base interactions energy: -629.880
where: short stacking energy: -281.758
Base-Backbone interact. energy: -1.611
local terms energy: -282.668284
where:
bonds (distance) C4'-P energy: -54.008
bonds (distance) P-C4' energy: -46.346
flat angles C4'-P-C4' energy: -59.336
flat angles P-C4'-P energy: -36.295
tors. eta vs tors. theta energy: -86.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -841.110244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.110244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.110244 (E_RNA)
where:
Base-Base interactions energy: -562.879
where: short stacking energy: -240.148
Base-Backbone interact. energy: -0.515
local terms energy: -277.716116
where:
bonds (distance) C4'-P energy: -59.120
bonds (distance) P-C4' energy: -54.526
flat angles C4'-P-C4' energy: -54.233
flat angles P-C4'-P energy: -39.286
tors. eta vs tors. theta energy: -70.551
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: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -819.077943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.077943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.077943 (E_RNA)
where:
Base-Base interactions energy: -563.451
where: short stacking energy: -252.621
Base-Backbone interact. energy: -0.281
local terms energy: -255.345763
where:
bonds (distance) C4'-P energy: -34.167
bonds (distance) P-C4' energy: -53.876
flat angles C4'-P-C4' energy: -57.667
flat angles P-C4'-P energy: -28.071
tors. eta vs tors. theta energy: -81.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -754.325864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.325864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.325864 (E_RNA)
where:
Base-Base interactions energy: -512.031
where: short stacking energy: -211.798
Base-Backbone interact. energy: -0.309
local terms energy: -241.985070
where:
bonds (distance) C4'-P energy: -47.975
bonds (distance) P-C4' energy: -53.744
flat angles C4'-P-C4' energy: -54.383
flat angles P-C4'-P energy: -34.666
tors. eta vs tors. theta energy: -51.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -657.125247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.125247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.125247 (E_RNA)
where:
Base-Base interactions energy: -434.670
where: short stacking energy: -184.917
Base-Backbone interact. energy: -0.511
local terms energy: -221.944697
where:
bonds (distance) C4'-P energy: -45.475
bonds (distance) P-C4' energy: -50.953
flat angles C4'-P-C4' energy: -54.182
flat angles P-C4'-P energy: -18.865
tors. eta vs tors. theta energy: -52.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -672.494048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.494048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.494048 (E_RNA)
where:
Base-Base interactions energy: -457.499
where: short stacking energy: -199.582
Base-Backbone interact. energy: 0.182
local terms energy: -215.177757
where:
bonds (distance) C4'-P energy: -49.943
bonds (distance) P-C4' energy: -35.887
flat angles C4'-P-C4' energy: -49.729
flat angles P-C4'-P energy: -30.722
tors. eta vs tors. theta energy: -48.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -563.911437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.911437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.911437 (E_RNA)
where:
Base-Base interactions energy: -359.611
where: short stacking energy: -150.190
Base-Backbone interact. energy: -0.598
local terms energy: -203.702009
where:
bonds (distance) C4'-P energy: -50.469
bonds (distance) P-C4' energy: -42.300
flat angles C4'-P-C4' energy: -45.782
flat angles P-C4'-P energy: -36.005
tors. eta vs tors. theta energy: -29.146
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: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -218.186571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.186571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.186571 (E_RNA)
where:
Base-Base interactions energy: -76.277
where: short stacking energy: -52.740
Base-Backbone interact. energy: -1.175
local terms energy: -140.734759
where:
bonds (distance) C4'-P energy: -50.444
bonds (distance) P-C4' energy: -37.879
flat angles C4'-P-C4' energy: -37.052
flat angles P-C4'-P energy: -18.600
tors. eta vs tors. theta energy: 3.240
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: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -951.057314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.057314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.057314 (E_RNA)
where:
Base-Base interactions energy: -661.561
where: short stacking energy: -267.766
Base-Backbone interact. energy: -1.181
local terms energy: -288.315249
where:
bonds (distance) C4'-P energy: -51.295
bonds (distance) P-C4' energy: -54.442
flat angles C4'-P-C4' energy: -59.358
flat angles P-C4'-P energy: -42.269
tors. eta vs tors. theta energy: -80.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -926.041854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.041854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.041854 (E_RNA)
where:
Base-Base interactions energy: -653.177
where: short stacking energy: -271.890
Base-Backbone interact. energy: -0.761
local terms energy: -272.103359
where:
bonds (distance) C4'-P energy: -48.111
bonds (distance) P-C4' energy: -53.488
flat angles C4'-P-C4' energy: -49.978
flat angles P-C4'-P energy: -37.360
tors. eta vs tors. theta energy: -83.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -917.123586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.123586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.123586 (E_RNA)
where:
Base-Base interactions energy: -637.062
where: short stacking energy: -275.123
Base-Backbone interact. energy: -0.820
local terms energy: -279.241849
where:
bonds (distance) C4'-P energy: -44.474
bonds (distance) P-C4' energy: -55.038
flat angles C4'-P-C4' energy: -59.433
flat angles P-C4'-P energy: -34.788
tors. eta vs tors. theta energy: -85.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -860.700301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.700301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.700301 (E_RNA)
where:
Base-Base interactions energy: -586.788
where: short stacking energy: -253.299
Base-Backbone interact. energy: -0.814
local terms energy: -273.098119
where:
bonds (distance) C4'-P energy: -47.547
bonds (distance) P-C4' energy: -51.210
flat angles C4'-P-C4' energy: -63.986
flat angles P-C4'-P energy: -34.724
tors. eta vs tors. theta energy: -75.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -803.357987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.357987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.357987 (E_RNA)
where:
Base-Base interactions energy: -527.774
where: short stacking energy: -238.193
Base-Backbone interact. energy: -0.341
local terms energy: -275.243299
where:
bonds (distance) C4'-P energy: -55.727
bonds (distance) P-C4' energy: -56.264
flat angles C4'-P-C4' energy: -54.002
flat angles P-C4'-P energy: -35.137
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: 6, replica: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -745.887099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.887099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.887099 (E_RNA)
where:
Base-Base interactions energy: -501.420
where: short stacking energy: -210.372
Base-Backbone interact. energy: -0.438
local terms energy: -244.029812
where:
bonds (distance) C4'-P energy: -51.354
bonds (distance) P-C4' energy: -51.322
flat angles C4'-P-C4' energy: -52.776
flat angles P-C4'-P energy: -31.721
tors. eta vs tors. theta energy: -56.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -699.623550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.623550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.623550 (E_RNA)
where:
Base-Base interactions energy: -470.521
where: short stacking energy: -205.135
Base-Backbone interact. energy: -1.275
local terms energy: -227.826993
where:
bonds (distance) C4'-P energy: -52.356
bonds (distance) P-C4' energy: -43.903
flat angles C4'-P-C4' energy: -51.226
flat angles P-C4'-P energy: -27.971
tors. eta vs tors. theta energy: -52.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -661.034569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.034569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.034569 (E_RNA)
where:
Base-Base interactions energy: -440.905
where: short stacking energy: -198.850
Base-Backbone interact. energy: -0.708
local terms energy: -219.421980
where:
bonds (distance) C4'-P energy: -35.872
bonds (distance) P-C4' energy: -43.530
flat angles C4'-P-C4' energy: -47.261
flat angles P-C4'-P energy: -38.267
tors. eta vs tors. theta energy: -54.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -581.780310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.780310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.780310 (E_RNA)
where:
Base-Base interactions energy: -390.552
where: short stacking energy: -174.106
Base-Backbone interact. energy: -0.720
local terms energy: -190.508199
where:
bonds (distance) C4'-P energy: -36.028
bonds (distance) P-C4' energy: -38.988
flat angles C4'-P-C4' energy: -42.861
flat angles P-C4'-P energy: -35.941
tors. eta vs tors. theta energy: -36.690
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: 218
Temperature: 1.350000
Total energy: -244.840969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.840969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.840969 (E_RNA)
where:
Base-Base interactions energy: -85.712
where: short stacking energy: -60.217
Base-Backbone interact. energy: -0.531
local terms energy: -158.598768
where:
bonds (distance) C4'-P energy: -42.101
bonds (distance) P-C4' energy: -48.555
flat angles C4'-P-C4' energy: -49.718
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: 6.971
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: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -943.485264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.485264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.485264 (E_RNA)
where:
Base-Base interactions energy: -654.226
where: short stacking energy: -282.520
Base-Backbone interact. energy: -1.704
local terms energy: -287.555798
where:
bonds (distance) C4'-P energy: -55.669
bonds (distance) P-C4' energy: -45.509
flat angles C4'-P-C4' energy: -55.522
flat angles P-C4'-P energy: -43.748
tors. eta vs tors. theta energy: -87.108
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: 219
Temperature: 0.950000
Total energy: -951.465833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.465833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.465833 (E_RNA)
where:
Base-Base interactions energy: -647.537
where: short stacking energy: -282.418
Base-Backbone interact. energy: -0.632
local terms energy: -303.296567
where:
bonds (distance) C4'-P energy: -49.621
bonds (distance) P-C4' energy: -59.591
flat angles C4'-P-C4' energy: -60.526
flat angles P-C4'-P energy: -48.898
tors. eta vs tors. theta energy: -84.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -905.322527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.322527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.322527 (E_RNA)
where:
Base-Base interactions energy: -616.581
where: short stacking energy: -264.022
Base-Backbone interact. energy: 0.470
local terms energy: -289.210755
where:
bonds (distance) C4'-P energy: -49.419
bonds (distance) P-C4' energy: -54.327
flat angles C4'-P-C4' energy: -59.686
flat angles P-C4'-P energy: -48.966
tors. eta vs tors. theta energy: -76.812
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: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -847.871768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.871768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.871768 (E_RNA)
where:
Base-Base interactions energy: -589.879
where: short stacking energy: -255.795
Base-Backbone interact. energy: -0.313
local terms energy: -257.680040
where:
bonds (distance) C4'-P energy: -47.480
bonds (distance) P-C4' energy: -51.724
flat angles C4'-P-C4' energy: -53.256
flat angles P-C4'-P energy: -33.934
tors. eta vs tors. theta energy: -71.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -805.752863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.752863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.752863 (E_RNA)
where:
Base-Base interactions energy: -569.472
where: short stacking energy: -251.987
Base-Backbone interact. energy: 1.302
local terms energy: -237.582960
where:
bonds (distance) C4'-P energy: -53.447
bonds (distance) P-C4' energy: -32.315
flat angles C4'-P-C4' energy: -51.135
flat angles P-C4'-P energy: -34.514
tors. eta vs tors. theta energy: -66.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -761.197599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.197599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.197599 (E_RNA)
where:
Base-Base interactions energy: -521.927
where: short stacking energy: -229.019
Base-Backbone interact. energy: -0.904
local terms energy: -238.366742
where:
bonds (distance) C4'-P energy: -47.886
bonds (distance) P-C4' energy: -53.159
flat angles C4'-P-C4' energy: -43.561
flat angles P-C4'-P energy: -33.214
tors. eta vs tors. theta energy: -60.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -676.800159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.800159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.800159 (E_RNA)
where:
Base-Base interactions energy: -446.680
where: short stacking energy: -193.647
Base-Backbone interact. energy: 0.381
local terms energy: -230.501321
where:
bonds (distance) C4'-P energy: -40.456
bonds (distance) P-C4' energy: -45.051
flat angles C4'-P-C4' energy: -60.261
flat angles P-C4'-P energy: -32.272
tors. eta vs tors. theta energy: -52.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -630.251342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.251342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.251342 (E_RNA)
where:
Base-Base interactions energy: -420.652
where: short stacking energy: -160.891
Base-Backbone interact. energy: -0.049
local terms energy: -209.550387
where:
bonds (distance) C4'-P energy: -45.641
bonds (distance) P-C4' energy: -41.783
flat angles C4'-P-C4' energy: -43.268
flat angles P-C4'-P energy: -36.215
tors. eta vs tors. theta energy: -42.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -604.423672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.423672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.423672 (E_RNA)
where:
Base-Base interactions energy: -413.873
where: short stacking energy: -164.984
Base-Backbone interact. energy: 1.038
local terms energy: -191.589067
where:
bonds (distance) C4'-P energy: -43.322
bonds (distance) P-C4' energy: -44.833
flat angles C4'-P-C4' energy: -37.707
flat angles P-C4'-P energy: -25.160
tors. eta vs tors. theta energy: -40.566
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: 219
Temperature: 1.350000
Total energy: -220.976748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.976748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.976748 (E_RNA)
where:
Base-Base interactions energy: -70.406
where: short stacking energy: -70.039
Base-Backbone interact. energy: 3.245
local terms energy: -153.815753
where:
bonds (distance) C4'-P energy: -51.207
bonds (distance) P-C4' energy: -46.909
flat angles C4'-P-C4' energy: -33.916
flat angles P-C4'-P energy: -22.082
tors. eta vs tors. theta energy: 0.297
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: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -969.417252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.417252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.417252 (E_RNA)
where:
Base-Base interactions energy: -671.079
where: short stacking energy: -302.837
Base-Backbone interact. energy: -0.293
local terms energy: -298.045025
where:
bonds (distance) C4'-P energy: -54.262
bonds (distance) P-C4' energy: -53.851
flat angles C4'-P-C4' energy: -56.474
flat angles P-C4'-P energy: -42.704
tors. eta vs tors. theta energy: -90.755
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: 5
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -931.959454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.959454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.959454 (E_RNA)
where:
Base-Base interactions energy: -648.293
where: short stacking energy: -286.840
Base-Backbone interact. energy: 0.142
local terms energy: -283.808038
where:
bonds (distance) C4'-P energy: -58.906
bonds (distance) P-C4' energy: -50.905
flat angles C4'-P-C4' energy: -57.754
flat angles P-C4'-P energy: -35.984
tors. eta vs tors. theta energy: -80.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -852.559801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.559801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.559801 (E_RNA)
where:
Base-Base interactions energy: -583.764
where: short stacking energy: -249.516
Base-Backbone interact. energy: 0.103
local terms energy: -268.898917
where:
bonds (distance) C4'-P energy: -49.827
bonds (distance) P-C4' energy: -55.916
flat angles C4'-P-C4' energy: -53.524
flat angles P-C4'-P energy: -37.111
tors. eta vs tors. theta energy: -72.520
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: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -894.302922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.302922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.302922 (E_RNA)
where:
Base-Base interactions energy: -624.825
where: short stacking energy: -243.881
Base-Backbone interact. energy: -1.441
local terms energy: -268.037374
where:
bonds (distance) C4'-P energy: -39.766
bonds (distance) P-C4' energy: -51.161
flat angles C4'-P-C4' energy: -52.352
flat angles P-C4'-P energy: -46.039
tors. eta vs tors. theta energy: -78.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -795.316215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.316215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.316215 (E_RNA)
where:
Base-Base interactions energy: -537.187
where: short stacking energy: -230.422
Base-Backbone interact. energy: -0.357
local terms energy: -257.771678
where:
bonds (distance) C4'-P energy: -53.370
bonds (distance) P-C4' energy: -43.089
flat angles C4'-P-C4' energy: -56.066
flat angles P-C4'-P energy: -40.233
tors. eta vs tors. theta energy: -65.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -760.124001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.124001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.124001 (E_RNA)
where:
Base-Base interactions energy: -517.988
where: short stacking energy: -205.600
Base-Backbone interact. energy: -0.742
local terms energy: -241.394653
where:
bonds (distance) C4'-P energy: -40.053
bonds (distance) P-C4' energy: -55.162
flat angles C4'-P-C4' energy: -51.250
flat angles P-C4'-P energy: -39.027
tors. eta vs tors. theta energy: -55.903
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: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -674.893060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.893060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.893060 (E_RNA)
where:
Base-Base interactions energy: -451.211
where: short stacking energy: -192.051
Base-Backbone interact. energy: -2.285
local terms energy: -221.397255
where:
bonds (distance) C4'-P energy: -39.169
bonds (distance) P-C4' energy: -51.497
flat angles C4'-P-C4' energy: -53.458
flat angles P-C4'-P energy: -32.841
tors. eta vs tors. theta energy: -44.433
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: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -678.229747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.229747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.229747 (E_RNA)
where:
Base-Base interactions energy: -462.141
where: short stacking energy: -199.200
Base-Backbone interact. energy: -0.656
local terms energy: -215.433447
where:
bonds (distance) C4'-P energy: -41.976
bonds (distance) P-C4' energy: -51.591
flat angles C4'-P-C4' energy: -37.824
flat angles P-C4'-P energy: -28.588
tors. eta vs tors. theta energy: -55.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -626.636863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.636863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.636863 (E_RNA)
where:
Base-Base interactions energy: -427.132
where: short stacking energy: -185.552
Base-Backbone interact. energy: -1.019
local terms energy: -198.485969
where:
bonds (distance) C4'-P energy: -34.167
bonds (distance) P-C4' energy: -51.797
flat angles C4'-P-C4' energy: -47.892
flat angles P-C4'-P energy: -25.797
tors. eta vs tors. theta energy: -38.834
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: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -236.789335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.789335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.789335 (E_RNA)
where:
Base-Base interactions energy: -77.690
where: short stacking energy: -69.280
Base-Backbone interact. energy: 0.129
local terms energy: -159.228730
where:
bonds (distance) C4'-P energy: -47.900
bonds (distance) P-C4' energy: -44.300
flat angles C4'-P-C4' energy: -36.859
flat angles P-C4'-P energy: -35.421
tors. eta vs tors. theta energy: 5.251
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: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -959.662595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.662595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.662595 (E_RNA)
where:
Base-Base interactions energy: -658.580
where: short stacking energy: -289.077
Base-Backbone interact. energy: -0.697
local terms energy: -300.386189
where:
bonds (distance) C4'-P energy: -57.171
bonds (distance) P-C4' energy: -56.041
flat angles C4'-P-C4' energy: -52.353
flat angles P-C4'-P energy: -44.658
tors. eta vs tors. theta energy: -90.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -947.639631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.639631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.639631 (E_RNA)
where:
Base-Base interactions energy: -654.968
where: short stacking energy: -287.135
Base-Backbone interact. energy: 2.914
local terms energy: -295.585841
where:
bonds (distance) C4'-P energy: -51.252
bonds (distance) P-C4' energy: -54.286
flat angles C4'-P-C4' energy: -67.098
flat angles P-C4'-P energy: -40.580
tors. eta vs tors. theta energy: -82.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -859.339497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.339497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.339497 (E_RNA)
where:
Base-Base interactions energy: -585.648
where: short stacking energy: -254.359
Base-Backbone interact. energy: -0.924
local terms energy: -272.766912
where:
bonds (distance) C4'-P energy: -50.193
bonds (distance) P-C4' energy: -46.124
flat angles C4'-P-C4' energy: -59.364
flat angles P-C4'-P energy: -41.999
tors. eta vs tors. theta energy: -75.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -898.871063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.871063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.871063 (E_RNA)
where:
Base-Base interactions energy: -622.342
where: short stacking energy: -267.477
Base-Backbone interact. energy: -1.097
local terms energy: -275.431341
where:
bonds (distance) C4'-P energy: -45.158
bonds (distance) P-C4' energy: -52.367
flat angles C4'-P-C4' energy: -57.806
flat angles P-C4'-P energy: -38.840
tors. eta vs tors. theta energy: -81.261
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: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -786.793554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.793554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.793554 (E_RNA)
where:
Base-Base interactions energy: -542.458
where: short stacking energy: -241.070
Base-Backbone interact. energy: 0.305
local terms energy: -244.640687
where:
bonds (distance) C4'-P energy: -37.035
bonds (distance) P-C4' energy: -50.203
flat angles C4'-P-C4' energy: -53.210
flat angles P-C4'-P energy: -40.814
tors. eta vs tors. theta energy: -63.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -771.719760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.719760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.719760 (E_RNA)
where:
Base-Base interactions energy: -520.947
where: short stacking energy: -220.931
Base-Backbone interact. energy: -2.422
local terms energy: -248.351345
where:
bonds (distance) C4'-P energy: -53.216
bonds (distance) P-C4' energy: -45.551
flat angles C4'-P-C4' energy: -50.092
flat angles P-C4'-P energy: -36.612
tors. eta vs tors. theta energy: -62.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -692.382170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.382170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.382170 (E_RNA)
where:
Base-Base interactions energy: -437.628
where: short stacking energy: -196.737
Base-Backbone interact. energy: 0.205
local terms energy: -254.959535
where:
bonds (distance) C4'-P energy: -48.354
bonds (distance) P-C4' energy: -55.451
flat angles C4'-P-C4' energy: -53.187
flat angles P-C4'-P energy: -35.539
tors. eta vs tors. theta energy: -62.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -655.335213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.335213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.335213 (E_RNA)
where:
Base-Base interactions energy: -424.599
where: short stacking energy: -184.978
Base-Backbone interact. energy: -0.820
local terms energy: -229.916552
where:
bonds (distance) C4'-P energy: -44.791
bonds (distance) P-C4' energy: -49.376
flat angles C4'-P-C4' energy: -55.520
flat angles P-C4'-P energy: -29.570
tors. eta vs tors. theta energy: -50.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -640.172110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.172110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.172110 (E_RNA)
where:
Base-Base interactions energy: -433.645
where: short stacking energy: -167.633
Base-Backbone interact. energy: -1.421
local terms energy: -205.105849
where:
bonds (distance) C4'-P energy: -47.546
bonds (distance) P-C4' energy: -43.706
flat angles C4'-P-C4' energy: -50.726
flat angles P-C4'-P energy: -21.898
tors. eta vs tors. theta energy: -41.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -231.310634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.310634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.310634 (E_RNA)
where:
Base-Base interactions energy: -85.455
where: short stacking energy: -80.820
Base-Backbone interact. energy: 0.197
local terms energy: -146.052343
where:
bonds (distance) C4'-P energy: -45.648
bonds (distance) P-C4' energy: -32.842
flat angles C4'-P-C4' energy: -41.337
flat angles P-C4'-P energy: -24.827
tors. eta vs tors. theta energy: -1.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -974.339318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.339318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.339318 (E_RNA)
where:
Base-Base interactions energy: -678.210
where: short stacking energy: -308.805
Base-Backbone interact. energy: -0.517
local terms energy: -295.612416
where:
bonds (distance) C4'-P energy: -45.999
bonds (distance) P-C4' energy: -53.038
flat angles C4'-P-C4' energy: -58.015
flat angles P-C4'-P energy: -45.237
tors. eta vs tors. theta energy: -93.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -907.391258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.391258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.391258 (E_RNA)
where:
Base-Base interactions energy: -619.464
where: short stacking energy: -277.308
Base-Backbone interact. energy: -0.346
local terms energy: -287.581235
where:
bonds (distance) C4'-P energy: -50.273
bonds (distance) P-C4' energy: -56.027
flat angles C4'-P-C4' energy: -60.324
flat angles P-C4'-P energy: -37.866
tors. eta vs tors. theta energy: -83.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -933.631269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.631269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.631269 (E_RNA)
where:
Base-Base interactions energy: -641.169
where: short stacking energy: -290.573
Base-Backbone interact. energy: -0.595
local terms energy: -291.867770
where:
bonds (distance) C4'-P energy: -47.479
bonds (distance) P-C4' energy: -47.633
flat angles C4'-P-C4' energy: -63.337
flat angles P-C4'-P energy: -45.420
tors. eta vs tors. theta energy: -87.997
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: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -853.607242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.607242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.607242 (E_RNA)
where:
Base-Base interactions energy: -565.932
where: short stacking energy: -248.512
Base-Backbone interact. energy: -0.217
local terms energy: -287.457612
where:
bonds (distance) C4'-P energy: -59.515
bonds (distance) P-C4' energy: -43.873
flat angles C4'-P-C4' energy: -61.600
flat angles P-C4'-P energy: -43.808
tors. eta vs tors. theta energy: -78.661
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: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -809.188003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.188003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.188003 (E_RNA)
where:
Base-Base interactions energy: -564.869
where: short stacking energy: -220.678
Base-Backbone interact. energy: -0.021
local terms energy: -244.298082
where:
bonds (distance) C4'-P energy: -36.744
bonds (distance) P-C4' energy: -54.420
flat angles C4'-P-C4' energy: -56.438
flat angles P-C4'-P energy: -34.740
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: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -766.270192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.270192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.270192 (E_RNA)
where:
Base-Base interactions energy: -523.012
where: short stacking energy: -215.619
Base-Backbone interact. energy: -1.615
local terms energy: -241.642932
where:
bonds (distance) C4'-P energy: -49.051
bonds (distance) P-C4' energy: -46.615
flat angles C4'-P-C4' energy: -53.666
flat angles P-C4'-P energy: -32.772
tors. eta vs tors. theta energy: -59.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -695.848057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.848057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.848057 (E_RNA)
where:
Base-Base interactions energy: -479.278
where: short stacking energy: -211.095
Base-Backbone interact. energy: 1.448
local terms energy: -218.018847
where:
bonds (distance) C4'-P energy: -37.073
bonds (distance) P-C4' energy: -41.385
flat angles C4'-P-C4' energy: -48.112
flat angles P-C4'-P energy: -32.255
tors. eta vs tors. theta energy: -59.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -668.666160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.666160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.666160 (E_RNA)
where:
Base-Base interactions energy: -440.967
where: short stacking energy: -181.636
Base-Backbone interact. energy: -1.274
local terms energy: -226.425612
where:
bonds (distance) C4'-P energy: -42.498
bonds (distance) P-C4' energy: -42.692
flat angles C4'-P-C4' energy: -51.646
flat angles P-C4'-P energy: -33.879
tors. eta vs tors. theta energy: -55.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -592.163909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.163909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.163909 (E_RNA)
where:
Base-Base interactions energy: -383.331
where: short stacking energy: -173.046
Base-Backbone interact. energy: -0.486
local terms energy: -208.346367
where:
bonds (distance) C4'-P energy: -43.112
bonds (distance) P-C4' energy: -49.437
flat angles C4'-P-C4' energy: -43.840
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -46.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -208.583195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.583195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.583195 (E_RNA)
where:
Base-Base interactions energy: -58.159
where: short stacking energy: -54.115
Base-Backbone interact. energy: 1.574
local terms energy: -151.997929
where:
bonds (distance) C4'-P energy: -47.424
bonds (distance) P-C4' energy: -50.629
flat angles C4'-P-C4' energy: -40.526
flat angles P-C4'-P energy: -21.840
tors. eta vs tors. theta energy: 8.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -948.588150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.588150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.588150 (E_RNA)
where:
Base-Base interactions energy: -662.957
where: short stacking energy: -285.711
Base-Backbone interact. energy: 1.912
local terms energy: -287.543903
where:
bonds (distance) C4'-P energy: -51.194
bonds (distance) P-C4' energy: -45.859
flat angles C4'-P-C4' energy: -61.517
flat angles P-C4'-P energy: -40.212
tors. eta vs tors. theta energy: -88.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -940.742367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.742367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.742367 (E_RNA)
where:
Base-Base interactions energy: -646.640
where: short stacking energy: -275.142
Base-Backbone interact. energy: -1.439
local terms energy: -292.663965
where:
bonds (distance) C4'-P energy: -54.005
bonds (distance) P-C4' energy: -57.965
flat angles C4'-P-C4' energy: -56.444
flat angles P-C4'-P energy: -42.815
tors. eta vs tors. theta energy: -81.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -882.009783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.009783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.009783 (E_RNA)
where:
Base-Base interactions energy: -603.647
where: short stacking energy: -266.121
Base-Backbone interact. energy: 3.555
local terms energy: -281.918026
where:
bonds (distance) C4'-P energy: -54.931
bonds (distance) P-C4' energy: -54.583
flat angles C4'-P-C4' energy: -55.024
flat angles P-C4'-P energy: -36.380
tors. eta vs tors. theta energy: -81.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -839.534350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.534350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.534350 (E_RNA)
where:
Base-Base interactions energy: -576.378
where: short stacking energy: -239.898
Base-Backbone interact. energy: -1.576
local terms energy: -261.579759
where:
bonds (distance) C4'-P energy: -49.433
bonds (distance) P-C4' energy: -45.549
flat angles C4'-P-C4' energy: -54.962
flat angles P-C4'-P energy: -40.533
tors. eta vs tors. theta energy: -71.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -838.662302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.662302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.662302 (E_RNA)
where:
Base-Base interactions energy: -568.409
where: short stacking energy: -252.073
Base-Backbone interact. energy: -0.276
local terms energy: -269.977674
where:
bonds (distance) C4'-P energy: -44.391
bonds (distance) P-C4' energy: -54.285
flat angles C4'-P-C4' energy: -56.149
flat angles P-C4'-P energy: -41.378
tors. eta vs tors. theta energy: -73.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -759.712981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.712981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.712981 (E_RNA)
where:
Base-Base interactions energy: -515.834
where: short stacking energy: -209.273
Base-Backbone interact. energy: -0.497
local terms energy: -243.381944
where:
bonds (distance) C4'-P energy: -45.152
bonds (distance) P-C4' energy: -42.822
flat angles C4'-P-C4' energy: -52.250
flat angles P-C4'-P energy: -39.000
tors. eta vs tors. theta energy: -64.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -717.510735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.510735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.510735 (E_RNA)
where:
Base-Base interactions energy: -481.106
where: short stacking energy: -206.876
Base-Backbone interact. energy: -1.858
local terms energy: -234.546769
where:
bonds (distance) C4'-P energy: -43.782
bonds (distance) P-C4' energy: -46.960
flat angles C4'-P-C4' energy: -54.139
flat angles P-C4'-P energy: -32.331
tors. eta vs tors. theta energy: -57.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -678.862046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.862046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.862046 (E_RNA)
where:
Base-Base interactions energy: -465.391
where: short stacking energy: -180.953
Base-Backbone interact. energy: -1.342
local terms energy: -212.128553
where:
bonds (distance) C4'-P energy: -45.523
bonds (distance) P-C4' energy: -42.680
flat angles C4'-P-C4' energy: -45.799
flat angles P-C4'-P energy: -33.703
tors. eta vs tors. theta energy: -44.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -631.580253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.580253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.580253 (E_RNA)
where:
Base-Base interactions energy: -427.783
where: short stacking energy: -177.714
Base-Backbone interact. energy: 0.116
local terms energy: -203.913159
where:
bonds (distance) C4'-P energy: -44.983
bonds (distance) P-C4' energy: -45.613
flat angles C4'-P-C4' energy: -45.447
flat angles P-C4'-P energy: -27.305
tors. eta vs tors. theta energy: -40.564
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: 223
Temperature: 1.350000
Total energy: -238.448774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.448774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.448774 (E_RNA)
where:
Base-Base interactions energy: -94.741
where: short stacking energy: -81.563
Base-Backbone interact. energy: -0.780
local terms energy: -142.927088
where:
bonds (distance) C4'-P energy: -37.237
bonds (distance) P-C4' energy: -44.836
flat angles C4'-P-C4' energy: -36.075
flat angles P-C4'-P energy: -32.112
tors. eta vs tors. theta energy: 7.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -954.059245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.059245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.059245 (E_RNA)
where:
Base-Base interactions energy: -656.707
where: short stacking energy: -281.636
Base-Backbone interact. energy: -0.379
local terms energy: -296.972662
where:
bonds (distance) C4'-P energy: -57.315
bonds (distance) P-C4' energy: -52.073
flat angles C4'-P-C4' energy: -62.489
flat angles P-C4'-P energy: -40.606
tors. eta vs tors. theta energy: -84.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -925.637223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.637223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.637223 (E_RNA)
where:
Base-Base interactions energy: -629.681
where: short stacking energy: -276.255
Base-Backbone interact. energy: -0.769
local terms energy: -295.187249
where:
bonds (distance) C4'-P energy: -54.909
bonds (distance) P-C4' energy: -49.220
flat angles C4'-P-C4' energy: -62.594
flat angles P-C4'-P energy: -41.973
tors. eta vs tors. theta energy: -86.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -879.359500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.359500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.359500 (E_RNA)
where:
Base-Base interactions energy: -596.079
where: short stacking energy: -271.066
Base-Backbone interact. energy: -0.260
local terms energy: -283.020504
where:
bonds (distance) C4'-P energy: -55.500
bonds (distance) P-C4' energy: -51.019
flat angles C4'-P-C4' energy: -56.088
flat angles P-C4'-P energy: -43.698
tors. eta vs tors. theta energy: -76.716
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: 4, replica: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -828.414358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.414358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.414358 (E_RNA)
where:
Base-Base interactions energy: -571.337
where: short stacking energy: -244.174
Base-Backbone interact. energy: -0.834
local terms energy: -256.243694
where:
bonds (distance) C4'-P energy: -43.280
bonds (distance) P-C4' energy: -58.880
flat angles C4'-P-C4' energy: -50.531
flat angles P-C4'-P energy: -33.770
tors. eta vs tors. theta energy: -69.784
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: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -834.721422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.721422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.721422 (E_RNA)
where:
Base-Base interactions energy: -565.324
where: short stacking energy: -251.071
Base-Backbone interact. energy: -0.089
local terms energy: -269.308068
where:
bonds (distance) C4'-P energy: -54.504
bonds (distance) P-C4' energy: -48.043
flat angles C4'-P-C4' energy: -53.000
flat angles P-C4'-P energy: -41.611
tors. eta vs tors. theta energy: -72.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -772.984590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.984590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.984590 (E_RNA)
where:
Base-Base interactions energy: -535.045
where: short stacking energy: -234.126
Base-Backbone interact. energy: -1.482
local terms energy: -236.457929
where:
bonds (distance) C4'-P energy: -51.087
bonds (distance) P-C4' energy: -47.329
flat angles C4'-P-C4' energy: -45.951
flat angles P-C4'-P energy: -34.231
tors. eta vs tors. theta energy: -57.860
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: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -738.653437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.653437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.653437 (E_RNA)
where:
Base-Base interactions energy: -515.497
where: short stacking energy: -239.059
Base-Backbone interact. energy: 0.327
local terms energy: -223.483339
where:
bonds (distance) C4'-P energy: -34.189
bonds (distance) P-C4' energy: -37.606
flat angles C4'-P-C4' energy: -56.433
flat angles P-C4'-P energy: -27.446
tors. eta vs tors. theta energy: -67.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -679.261870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.261870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.261870 (E_RNA)
where:
Base-Base interactions energy: -465.797
where: short stacking energy: -194.411
Base-Backbone interact. energy: -1.354
local terms energy: -212.110873
where:
bonds (distance) C4'-P energy: -39.775
bonds (distance) P-C4' energy: -42.664
flat angles C4'-P-C4' energy: -50.117
flat angles P-C4'-P energy: -29.774
tors. eta vs tors. theta energy: -49.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -654.330141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.330141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.330141 (E_RNA)
where:
Base-Base interactions energy: -447.291
where: short stacking energy: -185.846
Base-Backbone interact. energy: 0.599
local terms energy: -207.638073
where:
bonds (distance) C4'-P energy: -33.325
bonds (distance) P-C4' energy: -38.750
flat angles C4'-P-C4' energy: -47.030
flat angles P-C4'-P energy: -37.831
tors. eta vs tors. theta energy: -50.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -215.251970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.251970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.251970 (E_RNA)
where:
Base-Base interactions energy: -82.006
where: short stacking energy: -65.945
Base-Backbone interact. energy: -0.445
local terms energy: -132.801301
where:
bonds (distance) C4'-P energy: -41.782
bonds (distance) P-C4' energy: -45.747
flat angles C4'-P-C4' energy: -32.283
flat angles P-C4'-P energy: -24.317
tors. eta vs tors. theta energy: 11.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -953.767610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.767610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.767610 (E_RNA)
where:
Base-Base interactions energy: -664.295
where: short stacking energy: -286.883
Base-Backbone interact. energy: -1.210
local terms energy: -288.262777
where:
bonds (distance) C4'-P energy: -52.222
bonds (distance) P-C4' energy: -54.171
flat angles C4'-P-C4' energy: -61.819
flat angles P-C4'-P energy: -35.418
tors. eta vs tors. theta energy: -84.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -931.323975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.323975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.323975 (E_RNA)
where:
Base-Base interactions energy: -637.087
where: short stacking energy: -282.445
Base-Backbone interact. energy: -0.019
local terms energy: -294.218497
where:
bonds (distance) C4'-P energy: -49.672
bonds (distance) P-C4' energy: -52.102
flat angles C4'-P-C4' energy: -63.068
flat angles P-C4'-P energy: -42.350
tors. eta vs tors. theta energy: -87.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -890.439861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.439861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.439861 (E_RNA)
where:
Base-Base interactions energy: -616.176
where: short stacking energy: -265.780
Base-Backbone interact. energy: -0.082
local terms energy: -274.181748
where:
bonds (distance) C4'-P energy: -51.314
bonds (distance) P-C4' energy: -49.621
flat angles C4'-P-C4' energy: -59.355
flat angles P-C4'-P energy: -40.346
tors. eta vs tors. theta energy: -73.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -853.368306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.368306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.368306 (E_RNA)
where:
Base-Base interactions energy: -594.713
where: short stacking energy: -265.064
Base-Backbone interact. energy: -0.904
local terms energy: -257.751018
where:
bonds (distance) C4'-P energy: -41.780
bonds (distance) P-C4' energy: -47.992
flat angles C4'-P-C4' energy: -52.461
flat angles P-C4'-P energy: -43.830
tors. eta vs tors. theta energy: -71.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -794.220930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.220930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.220930 (E_RNA)
where:
Base-Base interactions energy: -550.203
where: short stacking energy: -238.556
Base-Backbone interact. energy: 1.030
local terms energy: -245.047613
where:
bonds (distance) C4'-P energy: -37.952
bonds (distance) P-C4' energy: -51.014
flat angles C4'-P-C4' energy: -52.520
flat angles P-C4'-P energy: -34.669
tors. eta vs tors. theta energy: -68.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -709.461239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.461239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.461239 (E_RNA)
where:
Base-Base interactions energy: -480.420
where: short stacking energy: -211.303
Base-Backbone interact. energy: -1.415
local terms energy: -227.626468
where:
bonds (distance) C4'-P energy: -45.033
bonds (distance) P-C4' energy: -42.049
flat angles C4'-P-C4' energy: -55.575
flat angles P-C4'-P energy: -34.112
tors. eta vs tors. theta energy: -50.858
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: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -768.910563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.910563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.910563 (E_RNA)
where:
Base-Base interactions energy: -538.389
where: short stacking energy: -223.401
Base-Backbone interact. energy: -0.252
local terms energy: -230.269677
where:
bonds (distance) C4'-P energy: -38.660
bonds (distance) P-C4' energy: -49.936
flat angles C4'-P-C4' energy: -50.798
flat angles P-C4'-P energy: -30.480
tors. eta vs tors. theta energy: -60.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -672.624074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.624074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.624074 (E_RNA)
where:
Base-Base interactions energy: -456.871
where: short stacking energy: -205.559
Base-Backbone interact. energy: -0.741
local terms energy: -215.012062
where:
bonds (distance) C4'-P energy: -45.210
bonds (distance) P-C4' energy: -36.240
flat angles C4'-P-C4' energy: -50.991
flat angles P-C4'-P energy: -31.387
tors. eta vs tors. theta energy: -51.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -666.003316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.003316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.003316 (E_RNA)
where:
Base-Base interactions energy: -446.385
where: short stacking energy: -198.399
Base-Backbone interact. energy: -1.256
local terms energy: -218.363060
where:
bonds (distance) C4'-P energy: -35.624
bonds (distance) P-C4' energy: -52.842
flat angles C4'-P-C4' energy: -45.352
flat angles P-C4'-P energy: -32.800
tors. eta vs tors. theta energy: -51.745
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: 225
Temperature: 1.350000
Total energy: -220.716819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.716819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.716819 (E_RNA)
where:
Base-Base interactions energy: -92.849
where: short stacking energy: -73.558
Base-Backbone interact. energy: 0.555
local terms energy: -128.422402
where:
bonds (distance) C4'-P energy: -33.961
bonds (distance) P-C4' energy: -39.281
flat angles C4'-P-C4' energy: -36.287
flat angles P-C4'-P energy: -22.873
tors. eta vs tors. theta energy: 3.980
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: 226
Temperature: 0.900000
Total energy: -963.317186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.317186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.317186 (E_RNA)
where:
Base-Base interactions energy: -670.969
where: short stacking energy: -275.869
Base-Backbone interact. energy: -1.069
local terms energy: -291.279637
where:
bonds (distance) C4'-P energy: -49.150
bonds (distance) P-C4' energy: -58.541
flat angles C4'-P-C4' energy: -57.932
flat angles P-C4'-P energy: -44.644
tors. eta vs tors. theta energy: -81.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -950.063904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.063904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.063904 (E_RNA)
where:
Base-Base interactions energy: -653.576
where: short stacking energy: -288.185
Base-Backbone interact. energy: -1.136
local terms energy: -295.351800
where:
bonds (distance) C4'-P energy: -60.070
bonds (distance) P-C4' energy: -53.110
flat angles C4'-P-C4' energy: -55.698
flat angles P-C4'-P energy: -41.790
tors. eta vs tors. theta energy: -84.684
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: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -868.323457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.323457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.323457 (E_RNA)
where:
Base-Base interactions energy: -591.879
where: short stacking energy: -256.784
Base-Backbone interact. energy: 0.221
local terms energy: -276.665755
where:
bonds (distance) C4'-P energy: -50.787
bonds (distance) P-C4' energy: -52.220
flat angles C4'-P-C4' energy: -55.975
flat angles P-C4'-P energy: -39.056
tors. eta vs tors. theta energy: -78.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -870.613386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.613386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.613386 (E_RNA)
where:
Base-Base interactions energy: -589.195
where: short stacking energy: -271.616
Base-Backbone interact. energy: -0.717
local terms energy: -280.700919
where:
bonds (distance) C4'-P energy: -54.004
bonds (distance) P-C4' energy: -49.305
flat angles C4'-P-C4' energy: -58.763
flat angles P-C4'-P energy: -37.014
tors. eta vs tors. theta energy: -81.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -816.460505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.460505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.460505 (E_RNA)
where:
Base-Base interactions energy: -569.631
where: short stacking energy: -224.972
Base-Backbone interact. energy: -0.146
local terms energy: -246.684253
where:
bonds (distance) C4'-P energy: -48.310
bonds (distance) P-C4' energy: -52.640
flat angles C4'-P-C4' energy: -44.871
flat angles P-C4'-P energy: -38.067
tors. eta vs tors. theta energy: -62.797
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: 6, replica: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -710.572540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.572540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.572540 (E_RNA)
where:
Base-Base interactions energy: -478.423
where: short stacking energy: -207.157
Base-Backbone interact. energy: 1.639
local terms energy: -233.788717
where:
bonds (distance) C4'-P energy: -51.961
bonds (distance) P-C4' energy: -46.023
flat angles C4'-P-C4' energy: -47.977
flat angles P-C4'-P energy: -31.358
tors. eta vs tors. theta energy: -56.470
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: 6
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -765.776221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.776221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.776221 (E_RNA)
where:
Base-Base interactions energy: -520.955
where: short stacking energy: -228.526
Base-Backbone interact. energy: -2.574
local terms energy: -242.246798
where:
bonds (distance) C4'-P energy: -41.098
bonds (distance) P-C4' energy: -48.326
flat angles C4'-P-C4' energy: -58.231
flat angles P-C4'-P energy: -36.915
tors. eta vs tors. theta energy: -57.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -657.779874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.779874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.779874 (E_RNA)
where:
Base-Base interactions energy: -465.614
where: short stacking energy: -195.395
Base-Backbone interact. energy: -0.039
local terms energy: -192.126833
where:
bonds (distance) C4'-P energy: -34.647
bonds (distance) P-C4' energy: -43.274
flat angles C4'-P-C4' energy: -44.011
flat angles P-C4'-P energy: -19.623
tors. eta vs tors. theta energy: -50.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -617.943256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.943256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.943256 (E_RNA)
where:
Base-Base interactions energy: -409.768
where: short stacking energy: -173.457
Base-Backbone interact. energy: -0.019
local terms energy: -208.156867
where:
bonds (distance) C4'-P energy: -43.268
bonds (distance) P-C4' energy: -39.486
flat angles C4'-P-C4' energy: -48.699
flat angles P-C4'-P energy: -31.259
tors. eta vs tors. theta energy: -45.445
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: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -240.514023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.514023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.514023 (E_RNA)
where:
Base-Base interactions energy: -75.417
where: short stacking energy: -68.605
Base-Backbone interact. energy: -0.696
local terms energy: -164.401019
where:
bonds (distance) C4'-P energy: -45.426
bonds (distance) P-C4' energy: -52.925
flat angles C4'-P-C4' energy: -37.225
flat angles P-C4'-P energy: -22.781
tors. eta vs tors. theta energy: -6.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -969.464620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.464620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.464620 (E_RNA)
where:
Base-Base interactions energy: -671.982
where: short stacking energy: -279.815
Base-Backbone interact. energy: -0.938
local terms energy: -296.544219
where:
bonds (distance) C4'-P energy: -57.750
bonds (distance) P-C4' energy: -50.097
flat angles C4'-P-C4' energy: -64.674
flat angles P-C4'-P energy: -43.420
tors. eta vs tors. theta energy: -80.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -890.695159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.695159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.695159 (E_RNA)
where:
Base-Base interactions energy: -591.464
where: short stacking energy: -264.420
Base-Backbone interact. energy: -1.180
local terms energy: -298.051144
where:
bonds (distance) C4'-P energy: -58.883
bonds (distance) P-C4' energy: -50.072
flat angles C4'-P-C4' energy: -61.013
flat angles P-C4'-P energy: -42.861
tors. eta vs tors. theta energy: -85.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -929.395556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.395556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.395556 (E_RNA)
where:
Base-Base interactions energy: -646.041
where: short stacking energy: -277.130
Base-Backbone interact. energy: -1.440
local terms energy: -281.914817
where:
bonds (distance) C4'-P energy: -48.917
bonds (distance) P-C4' energy: -40.859
flat angles C4'-P-C4' energy: -61.720
flat angles P-C4'-P energy: -45.691
tors. eta vs tors. theta energy: -84.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -872.050675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.050675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.050675 (E_RNA)
where:
Base-Base interactions energy: -593.909
where: short stacking energy: -265.945
Base-Backbone interact. energy: -1.126
local terms energy: -277.015028
where:
bonds (distance) C4'-P energy: -43.090
bonds (distance) P-C4' energy: -57.116
flat angles C4'-P-C4' energy: -58.132
flat angles P-C4'-P energy: -40.950
tors. eta vs tors. theta energy: -77.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -802.602284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.602284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.602284 (E_RNA)
where:
Base-Base interactions energy: -562.688
where: short stacking energy: -229.806
Base-Backbone interact. energy: 0.551
local terms energy: -240.465322
where:
bonds (distance) C4'-P energy: -49.810
bonds (distance) P-C4' energy: -48.904
flat angles C4'-P-C4' energy: -52.984
flat angles P-C4'-P energy: -27.811
tors. eta vs tors. theta energy: -60.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -755.986539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.986539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.986539 (E_RNA)
where:
Base-Base interactions energy: -536.489
where: short stacking energy: -213.199
Base-Backbone interact. energy: -0.497
local terms energy: -218.999702
where:
bonds (distance) C4'-P energy: -37.910
bonds (distance) P-C4' energy: -41.198
flat angles C4'-P-C4' energy: -45.292
flat angles P-C4'-P energy: -34.683
tors. eta vs tors. theta energy: -59.916
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: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -674.698732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.698732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.698732 (E_RNA)
where:
Base-Base interactions energy: -446.503
where: short stacking energy: -201.761
Base-Backbone interact. energy: -0.339
local terms energy: -227.856056
where:
bonds (distance) C4'-P energy: -36.559
bonds (distance) P-C4' energy: -46.408
flat angles C4'-P-C4' energy: -54.208
flat angles P-C4'-P energy: -33.013
tors. eta vs tors. theta energy: -57.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -696.548733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.548733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.548733 (E_RNA)
where:
Base-Base interactions energy: -468.811
where: short stacking energy: -206.397
Base-Backbone interact. energy: -0.555
local terms energy: -227.182640
where:
bonds (distance) C4'-P energy: -44.576
bonds (distance) P-C4' energy: -44.807
flat angles C4'-P-C4' energy: -49.715
flat angles P-C4'-P energy: -34.564
tors. eta vs tors. theta energy: -53.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -601.935853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.935853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.935853 (E_RNA)
where:
Base-Base interactions energy: -400.937
where: short stacking energy: -165.072
Base-Backbone interact. energy: 1.597
local terms energy: -202.595631
where:
bonds (distance) C4'-P energy: -47.468
bonds (distance) P-C4' energy: -40.477
flat angles C4'-P-C4' energy: -36.284
flat angles P-C4'-P energy: -32.214
tors. eta vs tors. theta energy: -46.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -226.393736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.393736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.393736 (E_RNA)
where:
Base-Base interactions energy: -80.966
where: short stacking energy: -69.359
Base-Backbone interact. energy: -1.307
local terms energy: -144.120887
where:
bonds (distance) C4'-P energy: -50.369
bonds (distance) P-C4' energy: -36.918
flat angles C4'-P-C4' energy: -40.449
flat angles P-C4'-P energy: -20.508
tors. eta vs tors. theta energy: 4.123
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: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -959.003930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.003930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.003930 (E_RNA)
where:
Base-Base interactions energy: -665.036
where: short stacking energy: -298.623
Base-Backbone interact. energy: -1.239
local terms energy: -292.728603
where:
bonds (distance) C4'-P energy: -53.253
bonds (distance) P-C4' energy: -49.801
flat angles C4'-P-C4' energy: -60.139
flat angles P-C4'-P energy: -44.809
tors. eta vs tors. theta energy: -84.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -908.204035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.204035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.204035 (E_RNA)
where:
Base-Base interactions energy: -616.582
where: short stacking energy: -282.084
Base-Backbone interact. energy: 0.340
local terms energy: -291.961505
where:
bonds (distance) C4'-P energy: -54.954
bonds (distance) P-C4' energy: -54.750
flat angles C4'-P-C4' energy: -57.175
flat angles P-C4'-P energy: -41.201
tors. eta vs tors. theta energy: -83.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -934.283616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.283616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.283616 (E_RNA)
where:
Base-Base interactions energy: -633.398
where: short stacking energy: -273.083
Base-Backbone interact. energy: -0.289
local terms energy: -300.596024
where:
bonds (distance) C4'-P energy: -49.741
bonds (distance) P-C4' energy: -48.712
flat angles C4'-P-C4' energy: -64.014
flat angles P-C4'-P energy: -47.260
tors. eta vs tors. theta energy: -90.869
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: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -870.741089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.741089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.741089 (E_RNA)
where:
Base-Base interactions energy: -590.701
where: short stacking energy: -259.079
Base-Backbone interact. energy: -0.429
local terms energy: -279.610831
where:
bonds (distance) C4'-P energy: -50.357
bonds (distance) P-C4' energy: -58.933
flat angles C4'-P-C4' energy: -51.753
flat angles P-C4'-P energy: -36.969
tors. eta vs tors. theta energy: -81.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -801.667585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.667585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.667585 (E_RNA)
where:
Base-Base interactions energy: -560.976
where: short stacking energy: -230.061
Base-Backbone interact. energy: -0.861
local terms energy: -239.831358
where:
bonds (distance) C4'-P energy: -46.078
bonds (distance) P-C4' energy: -42.227
flat angles C4'-P-C4' energy: -48.406
flat angles P-C4'-P energy: -37.740
tors. eta vs tors. theta energy: -65.381
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: 6, replica: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -754.735174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.735174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.735174 (E_RNA)
where:
Base-Base interactions energy: -519.089
where: short stacking energy: -201.912
Base-Backbone interact. energy: -0.390
local terms energy: -235.255325
where:
bonds (distance) C4'-P energy: -51.501
bonds (distance) P-C4' energy: -42.346
flat angles C4'-P-C4' energy: -51.261
flat angles P-C4'-P energy: -40.010
tors. eta vs tors. theta energy: -50.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -695.733848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.733848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.733848 (E_RNA)
where:
Base-Base interactions energy: -468.597
where: short stacking energy: -205.336
Base-Backbone interact. energy: -1.696
local terms energy: -225.440728
where:
bonds (distance) C4'-P energy: -50.784
bonds (distance) P-C4' energy: -44.369
flat angles C4'-P-C4' energy: -49.271
flat angles P-C4'-P energy: -22.696
tors. eta vs tors. theta energy: -58.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -628.022433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.022433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.022433 (E_RNA)
where:
Base-Base interactions energy: -426.361
where: short stacking energy: -184.462
Base-Backbone interact. energy: -1.353
local terms energy: -200.308577
where:
bonds (distance) C4'-P energy: -38.310
bonds (distance) P-C4' energy: -41.765
flat angles C4'-P-C4' energy: -52.289
flat angles P-C4'-P energy: -19.062
tors. eta vs tors. theta energy: -48.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -549.883693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.883693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.883693 (E_RNA)
where:
Base-Base interactions energy: -373.865
where: short stacking energy: -140.178
Base-Backbone interact. energy: 0.823
local terms energy: -176.841245
where:
bonds (distance) C4'-P energy: -27.085
bonds (distance) P-C4' energy: -46.966
flat angles C4'-P-C4' energy: -47.691
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -36.831
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: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -262.872733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.872733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.872733 (E_RNA)
where:
Base-Base interactions energy: -135.493
where: short stacking energy: -77.949
Base-Backbone interact. energy: 3.875
local terms energy: -131.255651
where:
bonds (distance) C4'-P energy: -39.536
bonds (distance) P-C4' energy: -42.527
flat angles C4'-P-C4' energy: -30.927
flat angles P-C4'-P energy: -23.815
tors. eta vs tors. theta energy: 5.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -957.509316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.509316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.509316 (E_RNA)
where:
Base-Base interactions energy: -655.100
where: short stacking energy: -286.576
Base-Backbone interact. energy: -0.876
local terms energy: -301.533075
where:
bonds (distance) C4'-P energy: -53.327
bonds (distance) P-C4' energy: -58.325
flat angles C4'-P-C4' energy: -63.205
flat angles P-C4'-P energy: -48.913
tors. eta vs tors. theta energy: -77.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -935.611969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.611969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.611969 (E_RNA)
where:
Base-Base interactions energy: -647.633
where: short stacking energy: -277.341
Base-Backbone interact. energy: -0.862
local terms energy: -287.116815
where:
bonds (distance) C4'-P energy: -48.225
bonds (distance) P-C4' energy: -58.664
flat angles C4'-P-C4' energy: -56.359
flat angles P-C4'-P energy: -40.794
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: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -882.194554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.194554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.194554 (E_RNA)
where:
Base-Base interactions energy: -602.897
where: short stacking energy: -275.522
Base-Backbone interact. energy: -0.141
local terms energy: -279.156581
where:
bonds (distance) C4'-P energy: -54.978
bonds (distance) P-C4' energy: -53.484
flat angles C4'-P-C4' energy: -53.142
flat angles P-C4'-P energy: -37.111
tors. eta vs tors. theta energy: -80.442
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: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -855.696304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.696304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.696304 (E_RNA)
where:
Base-Base interactions energy: -598.558
where: short stacking energy: -252.688
Base-Backbone interact. energy: -1.202
local terms energy: -255.936130
where:
bonds (distance) C4'-P energy: -44.751
bonds (distance) P-C4' energy: -40.667
flat angles C4'-P-C4' energy: -54.868
flat angles P-C4'-P energy: -39.004
tors. eta vs tors. theta energy: -76.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -790.666988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.666988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.666988 (E_RNA)
where:
Base-Base interactions energy: -530.273
where: short stacking energy: -209.092
Base-Backbone interact. energy: 0.449
local terms energy: -260.843157
where:
bonds (distance) C4'-P energy: -50.357
bonds (distance) P-C4' energy: -61.915
flat angles C4'-P-C4' energy: -56.887
flat angles P-C4'-P energy: -38.337
tors. eta vs tors. theta energy: -53.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -773.736463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.736463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.736463 (E_RNA)
where:
Base-Base interactions energy: -534.657
where: short stacking energy: -222.277
Base-Backbone interact. energy: -0.129
local terms energy: -238.950336
where:
bonds (distance) C4'-P energy: -41.932
bonds (distance) P-C4' energy: -49.814
flat angles C4'-P-C4' energy: -50.757
flat angles P-C4'-P energy: -33.163
tors. eta vs tors. theta energy: -63.285
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: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -681.449234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.449234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.449234 (E_RNA)
where:
Base-Base interactions energy: -471.791
where: short stacking energy: -199.248
Base-Backbone interact. energy: -0.267
local terms energy: -209.391006
where:
bonds (distance) C4'-P energy: -37.981
bonds (distance) P-C4' energy: -42.313
flat angles C4'-P-C4' energy: -54.125
flat angles P-C4'-P energy: -25.562
tors. eta vs tors. theta energy: -49.411
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: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -633.685403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.685403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.685403 (E_RNA)
where:
Base-Base interactions energy: -421.401
where: short stacking energy: -168.149
Base-Backbone interact. energy: 0.714
local terms energy: -212.998327
where:
bonds (distance) C4'-P energy: -47.754
bonds (distance) P-C4' energy: -48.393
flat angles C4'-P-C4' energy: -42.738
flat angles P-C4'-P energy: -30.932
tors. eta vs tors. theta energy: -43.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -539.939405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.939405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.939405 (E_RNA)
where:
Base-Base interactions energy: -364.673
where: short stacking energy: -157.427
Base-Backbone interact. energy: 1.196
local terms energy: -176.462774
where:
bonds (distance) C4'-P energy: -38.144
bonds (distance) P-C4' energy: -37.301
flat angles C4'-P-C4' energy: -52.874
flat angles P-C4'-P energy: -21.178
tors. eta vs tors. theta energy: -26.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -216.808362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.808362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.808362 (E_RNA)
where:
Base-Base interactions energy: -82.690
where: short stacking energy: -61.934
Base-Backbone interact. energy: 2.202
local terms energy: -136.319679
where:
bonds (distance) C4'-P energy: -34.295
bonds (distance) P-C4' energy: -42.605
flat angles C4'-P-C4' energy: -35.401
flat angles P-C4'-P energy: -22.425
tors. eta vs tors. theta energy: -1.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -933.879654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.879654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.879654 (E_RNA)
where:
Base-Base interactions energy: -648.037
where: short stacking energy: -290.003
Base-Backbone interact. energy: -1.193
local terms energy: -284.649851
where:
bonds (distance) C4'-P energy: -51.426
bonds (distance) P-C4' energy: -53.330
flat angles C4'-P-C4' energy: -62.172
flat angles P-C4'-P energy: -38.616
tors. eta vs tors. theta energy: -79.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -949.974088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.974088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.974088 (E_RNA)
where:
Base-Base interactions energy: -650.026
where: short stacking energy: -296.438
Base-Backbone interact. energy: -0.210
local terms energy: -299.738776
where:
bonds (distance) C4'-P energy: -53.430
bonds (distance) P-C4' energy: -51.764
flat angles C4'-P-C4' energy: -59.247
flat angles P-C4'-P energy: -44.375
tors. eta vs tors. theta energy: -90.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -903.109684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.109684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.109684 (E_RNA)
where:
Base-Base interactions energy: -627.371
where: short stacking energy: -271.985
Base-Backbone interact. energy: -0.543
local terms energy: -275.195221
where:
bonds (distance) C4'-P energy: -51.463
bonds (distance) P-C4' energy: -42.755
flat angles C4'-P-C4' energy: -56.334
flat angles P-C4'-P energy: -45.823
tors. eta vs tors. theta energy: -78.821
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: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -858.575126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.575126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.575126 (E_RNA)
where:
Base-Base interactions energy: -591.622
where: short stacking energy: -259.581
Base-Backbone interact. energy: 0.316
local terms energy: -267.269607
where:
bonds (distance) C4'-P energy: -47.405
bonds (distance) P-C4' energy: -52.563
flat angles C4'-P-C4' energy: -52.879
flat angles P-C4'-P energy: -41.133
tors. eta vs tors. theta energy: -73.291
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: 230
Temperature: 1.100000
Total energy: -794.970380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.970380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.970380 (E_RNA)
where:
Base-Base interactions energy: -543.196
where: short stacking energy: -225.135
Base-Backbone interact. energy: 0.867
local terms energy: -252.641313
where:
bonds (distance) C4'-P energy: -46.646
bonds (distance) P-C4' energy: -54.751
flat angles C4'-P-C4' energy: -51.774
flat angles P-C4'-P energy: -37.245
tors. eta vs tors. theta energy: -62.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -751.949731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.949731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.949731 (E_RNA)
where:
Base-Base interactions energy: -511.801
where: short stacking energy: -196.122
Base-Backbone interact. energy: -1.776
local terms energy: -238.372735
where:
bonds (distance) C4'-P energy: -46.792
bonds (distance) P-C4' energy: -50.854
flat angles C4'-P-C4' energy: -49.230
flat angles P-C4'-P energy: -39.440
tors. eta vs tors. theta energy: -52.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -700.097827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.097827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.097827 (E_RNA)
where:
Base-Base interactions energy: -465.493
where: short stacking energy: -200.467
Base-Backbone interact. energy: -0.908
local terms energy: -233.697312
where:
bonds (distance) C4'-P energy: -43.797
bonds (distance) P-C4' energy: -46.660
flat angles C4'-P-C4' energy: -54.904
flat angles P-C4'-P energy: -33.872
tors. eta vs tors. theta energy: -54.464
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: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -627.914848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.914848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.914848 (E_RNA)
where:
Base-Base interactions energy: -408.478
where: short stacking energy: -176.110
Base-Backbone interact. energy: -0.139
local terms energy: -219.297900
where:
bonds (distance) C4'-P energy: -48.287
bonds (distance) P-C4' energy: -45.783
flat angles C4'-P-C4' energy: -48.242
flat angles P-C4'-P energy: -32.775
tors. eta vs tors. theta energy: -44.211
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: 230
Temperature: 1.300000
Total energy: -541.665608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.665608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.665608 (E_RNA)
where:
Base-Base interactions energy: -342.892
where: short stacking energy: -156.959
Base-Backbone interact. energy: -0.977
local terms energy: -197.796698
where:
bonds (distance) C4'-P energy: -38.670
bonds (distance) P-C4' energy: -49.878
flat angles C4'-P-C4' energy: -41.612
flat angles P-C4'-P energy: -32.203
tors. eta vs tors. theta energy: -35.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -222.553140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.553140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.553140 (E_RNA)
where:
Base-Base interactions energy: -77.824
where: short stacking energy: -71.797
Base-Backbone interact. energy: 0.205
local terms energy: -144.933537
where:
bonds (distance) C4'-P energy: -50.763
bonds (distance) P-C4' energy: -48.398
flat angles C4'-P-C4' energy: -27.181
flat angles P-C4'-P energy: -24.437
tors. eta vs tors. theta energy: 5.845
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: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -949.509915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.509915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.509915 (E_RNA)
where:
Base-Base interactions energy: -654.926
where: short stacking energy: -283.694
Base-Backbone interact. energy: -1.577
local terms energy: -293.007053
where:
bonds (distance) C4'-P energy: -53.971
bonds (distance) P-C4' energy: -54.995
flat angles C4'-P-C4' energy: -56.893
flat angles P-C4'-P energy: -44.591
tors. eta vs tors. theta energy: -82.557
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: 2, replica: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -905.478826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.478826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.478826 (E_RNA)
where:
Base-Base interactions energy: -620.979
where: short stacking energy: -266.228
Base-Backbone interact. energy: -1.294
local terms energy: -283.205492
where:
bonds (distance) C4'-P energy: -57.570
bonds (distance) P-C4' energy: -54.300
flat angles C4'-P-C4' energy: -54.584
flat angles P-C4'-P energy: -39.484
tors. eta vs tors. theta energy: -77.266
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: 3, replica: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -910.782728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.782728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.782728 (E_RNA)
where:
Base-Base interactions energy: -609.877
where: short stacking energy: -265.606
Base-Backbone interact. energy: 1.540
local terms energy: -302.445359
where:
bonds (distance) C4'-P energy: -51.857
bonds (distance) P-C4' energy: -54.691
flat angles C4'-P-C4' energy: -58.632
flat angles P-C4'-P energy: -48.523
tors. eta vs tors. theta energy: -88.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -834.456149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.456149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.456149 (E_RNA)
where:
Base-Base interactions energy: -573.656
where: short stacking energy: -239.148
Base-Backbone interact. energy: -0.809
local terms energy: -259.990740
where:
bonds (distance) C4'-P energy: -39.768
bonds (distance) P-C4' energy: -59.475
flat angles C4'-P-C4' energy: -54.015
flat angles P-C4'-P energy: -37.131
tors. eta vs tors. theta energy: -69.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -780.574582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.574582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.574582 (E_RNA)
where:
Base-Base interactions energy: -516.306
where: short stacking energy: -218.302
Base-Backbone interact. energy: -1.663
local terms energy: -262.605750
where:
bonds (distance) C4'-P energy: -50.654
bonds (distance) P-C4' energy: -51.023
flat angles C4'-P-C4' energy: -55.587
flat angles P-C4'-P energy: -33.425
tors. eta vs tors. theta energy: -71.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -766.646234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.646234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.646234 (E_RNA)
where:
Base-Base interactions energy: -523.263
where: short stacking energy: -221.984
Base-Backbone interact. energy: -0.858
local terms energy: -242.525716
where:
bonds (distance) C4'-P energy: -42.301
bonds (distance) P-C4' energy: -47.115
flat angles C4'-P-C4' energy: -52.968
flat angles P-C4'-P energy: -41.434
tors. eta vs tors. theta energy: -58.708
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: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -676.662344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.662344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.662344 (E_RNA)
where:
Base-Base interactions energy: -448.303
where: short stacking energy: -202.122
Base-Backbone interact. energy: -1.717
local terms energy: -226.641986
where:
bonds (distance) C4'-P energy: -39.991
bonds (distance) P-C4' energy: -48.160
flat angles C4'-P-C4' energy: -55.271
flat angles P-C4'-P energy: -35.274
tors. eta vs tors. theta energy: -47.945
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: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -626.316062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.316062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.316062 (E_RNA)
where:
Base-Base interactions energy: -398.257
where: short stacking energy: -167.943
Base-Backbone interact. energy: -1.584
local terms energy: -226.475267
where:
bonds (distance) C4'-P energy: -50.149
bonds (distance) P-C4' energy: -50.265
flat angles C4'-P-C4' energy: -46.659
flat angles P-C4'-P energy: -31.318
tors. eta vs tors. theta energy: -48.085
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: 9, replica: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -552.157926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.157926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.157926 (E_RNA)
where:
Base-Base interactions energy: -357.450
where: short stacking energy: -156.372
Base-Backbone interact. energy: -0.222
local terms energy: -194.485660
where:
bonds (distance) C4'-P energy: -36.727
bonds (distance) P-C4' energy: -56.963
flat angles C4'-P-C4' energy: -41.928
flat angles P-C4'-P energy: -31.165
tors. eta vs tors. theta energy: -27.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -237.366649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.366649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.366649 (E_RNA)
where:
Base-Base interactions energy: -105.985
where: short stacking energy: -67.800
Base-Backbone interact. energy: -0.137
local terms energy: -131.244495
where:
bonds (distance) C4'-P energy: -33.547
bonds (distance) P-C4' energy: -42.105
flat angles C4'-P-C4' energy: -40.450
flat angles P-C4'-P energy: -20.859
tors. eta vs tors. theta energy: 5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -933.909461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.909461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.909461 (E_RNA)
where:
Base-Base interactions energy: -646.499
where: short stacking energy: -273.346
Base-Backbone interact. energy: -1.115
local terms energy: -286.295784
where:
bonds (distance) C4'-P energy: -53.083
bonds (distance) P-C4' energy: -52.295
flat angles C4'-P-C4' energy: -57.850
flat angles P-C4'-P energy: -43.520
tors. eta vs tors. theta energy: -79.548
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: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -918.166439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.166439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.166439 (E_RNA)
where:
Base-Base interactions energy: -631.207
where: short stacking energy: -275.871
Base-Backbone interact. energy: -0.400
local terms energy: -286.559734
where:
bonds (distance) C4'-P energy: -50.313
bonds (distance) P-C4' energy: -53.888
flat angles C4'-P-C4' energy: -59.849
flat angles P-C4'-P energy: -41.612
tors. eta vs tors. theta energy: -80.897
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: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -891.644771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.644771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.644771 (E_RNA)
where:
Base-Base interactions energy: -593.150
where: short stacking energy: -272.731
Base-Backbone interact. energy: -0.802
local terms energy: -297.692699
where:
bonds (distance) C4'-P energy: -56.902
bonds (distance) P-C4' energy: -52.686
flat angles C4'-P-C4' energy: -62.376
flat angles P-C4'-P energy: -44.639
tors. eta vs tors. theta energy: -81.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -902.540748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.540748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.540748 (E_RNA)
where:
Base-Base interactions energy: -619.942
where: short stacking energy: -267.126
Base-Backbone interact. energy: 2.904
local terms energy: -285.503068
where:
bonds (distance) C4'-P energy: -51.605
bonds (distance) P-C4' energy: -51.198
flat angles C4'-P-C4' energy: -56.252
flat angles P-C4'-P energy: -42.329
tors. eta vs tors. theta energy: -84.119
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: 6
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -777.861804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.861804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.861804 (E_RNA)
where:
Base-Base interactions energy: -547.436
where: short stacking energy: -230.038
Base-Backbone interact. energy: -0.233
local terms energy: -230.192372
where:
bonds (distance) C4'-P energy: -37.244
bonds (distance) P-C4' energy: -49.271
flat angles C4'-P-C4' energy: -51.474
flat angles P-C4'-P energy: -32.674
tors. eta vs tors. theta energy: -59.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -746.744777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.744777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.744777 (E_RNA)
where:
Base-Base interactions energy: -516.535
where: short stacking energy: -219.747
Base-Backbone interact. energy: -0.561
local terms energy: -229.649269
where:
bonds (distance) C4'-P energy: -38.657
bonds (distance) P-C4' energy: -38.766
flat angles C4'-P-C4' energy: -52.544
flat angles P-C4'-P energy: -34.925
tors. eta vs tors. theta energy: -64.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -669.124634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.124634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.124634 (E_RNA)
where:
Base-Base interactions energy: -464.244
where: short stacking energy: -196.451
Base-Backbone interact. energy: -1.733
local terms energy: -203.146870
where:
bonds (distance) C4'-P energy: -43.581
bonds (distance) P-C4' energy: -43.455
flat angles C4'-P-C4' energy: -37.715
flat angles P-C4'-P energy: -26.509
tors. eta vs tors. theta energy: -51.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -634.006007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.006007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.006007 (E_RNA)
where:
Base-Base interactions energy: -413.676
where: short stacking energy: -186.655
Base-Backbone interact. energy: -1.203
local terms energy: -219.126937
where:
bonds (distance) C4'-P energy: -37.779
bonds (distance) P-C4' energy: -47.444
flat angles C4'-P-C4' energy: -52.313
flat angles P-C4'-P energy: -23.403
tors. eta vs tors. theta energy: -58.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -556.353006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.353006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.353006 (E_RNA)
where:
Base-Base interactions energy: -342.154
where: short stacking energy: -148.826
Base-Backbone interact. energy: 1.234
local terms energy: -215.433143
where:
bonds (distance) C4'-P energy: -43.692
bonds (distance) P-C4' energy: -57.742
flat angles C4'-P-C4' energy: -43.461
flat angles P-C4'-P energy: -32.676
tors. eta vs tors. theta energy: -37.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -215.039582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.039582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.039582 (E_RNA)
where:
Base-Base interactions energy: -64.122
where: short stacking energy: -58.236
Base-Backbone interact. energy: -0.113
local terms energy: -150.804164
where:
bonds (distance) C4'-P energy: -44.742
bonds (distance) P-C4' energy: -36.440
flat angles C4'-P-C4' energy: -44.088
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: -0.288
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: 233
Temperature: 0.900000
Total energy: -950.120854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.120854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.120854 (E_RNA)
where:
Base-Base interactions energy: -661.014
where: short stacking energy: -282.904
Base-Backbone interact. energy: -0.785
local terms energy: -288.322068
where:
bonds (distance) C4'-P energy: -51.963
bonds (distance) P-C4' energy: -45.016
flat angles C4'-P-C4' energy: -62.004
flat angles P-C4'-P energy: -42.580
tors. eta vs tors. theta energy: -86.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -878.197328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.197328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.197328 (E_RNA)
where:
Base-Base interactions energy: -598.429
where: short stacking energy: -268.911
Base-Backbone interact. energy: -1.764
local terms energy: -278.004476
where:
bonds (distance) C4'-P energy: -55.826
bonds (distance) P-C4' energy: -42.162
flat angles C4'-P-C4' energy: -63.926
flat angles P-C4'-P energy: -35.479
tors. eta vs tors. theta energy: -80.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -895.318332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.318332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.318332 (E_RNA)
where:
Base-Base interactions energy: -620.669
where: short stacking energy: -267.573
Base-Backbone interact. energy: 0.541
local terms energy: -275.190548
where:
bonds (distance) C4'-P energy: -59.270
bonds (distance) P-C4' energy: -44.906
flat angles C4'-P-C4' energy: -50.786
flat angles P-C4'-P energy: -42.855
tors. eta vs tors. theta energy: -77.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -903.803851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.803851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.803851 (E_RNA)
where:
Base-Base interactions energy: -626.065
where: short stacking energy: -254.088
Base-Backbone interact. energy: -0.807
local terms energy: -276.931994
where:
bonds (distance) C4'-P energy: -41.951
bonds (distance) P-C4' energy: -56.225
flat angles C4'-P-C4' energy: -59.892
flat angles P-C4'-P energy: -37.632
tors. eta vs tors. theta energy: -81.232
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: 233
Temperature: 1.100000
Total energy: -823.637543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.637543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.637543 (E_RNA)
where:
Base-Base interactions energy: -553.596
where: short stacking energy: -241.975
Base-Backbone interact. energy: -0.650
local terms energy: -269.391573
where:
bonds (distance) C4'-P energy: -54.166
bonds (distance) P-C4' energy: -49.036
flat angles C4'-P-C4' energy: -54.227
flat angles P-C4'-P energy: -36.512
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: 6, replica: 8
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -769.795327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.795327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.795327 (E_RNA)
where:
Base-Base interactions energy: -542.989
where: short stacking energy: -220.984
Base-Backbone interact. energy: -0.421
local terms energy: -226.385815
where:
bonds (distance) C4'-P energy: -39.882
bonds (distance) P-C4' energy: -45.135
flat angles C4'-P-C4' energy: -47.633
flat angles P-C4'-P energy: -37.768
tors. eta vs tors. theta energy: -55.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -693.799751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.799751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.799751 (E_RNA)
where:
Base-Base interactions energy: -444.482
where: short stacking energy: -207.379
Base-Backbone interact. energy: -0.361
local terms energy: -248.957063
where:
bonds (distance) C4'-P energy: -52.660
bonds (distance) P-C4' energy: -49.156
flat angles C4'-P-C4' energy: -47.268
flat angles P-C4'-P energy: -41.819
tors. eta vs tors. theta energy: -58.053
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: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -595.933176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.933176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.933176 (E_RNA)
where:
Base-Base interactions energy: -383.389
where: short stacking energy: -175.182
Base-Backbone interact. energy: 0.352
local terms energy: -212.895775
where:
bonds (distance) C4'-P energy: -39.433
bonds (distance) P-C4' energy: -50.147
flat angles C4'-P-C4' energy: -48.828
flat angles P-C4'-P energy: -23.373
tors. eta vs tors. theta energy: -51.114
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: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -538.693500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.693500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.693500 (E_RNA)
where:
Base-Base interactions energy: -339.799
where: short stacking energy: -150.759
Base-Backbone interact. energy: -1.021
local terms energy: -197.872830
where:
bonds (distance) C4'-P energy: -29.251
bonds (distance) P-C4' energy: -49.072
flat angles C4'-P-C4' energy: -49.706
flat angles P-C4'-P energy: -29.770
tors. eta vs tors. theta energy: -40.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -219.999980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.999980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.999980 (E_RNA)
where:
Base-Base interactions energy: -78.455
where: short stacking energy: -69.075
Base-Backbone interact. energy: 2.325
local terms energy: -143.869527
where:
bonds (distance) C4'-P energy: -49.420
bonds (distance) P-C4' energy: -46.662
flat angles C4'-P-C4' energy: -30.642
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -937.763725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.763725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.763725 (E_RNA)
where:
Base-Base interactions energy: -658.085
where: short stacking energy: -285.765
Base-Backbone interact. energy: 1.343
local terms energy: -281.021224
where:
bonds (distance) C4'-P energy: -43.791
bonds (distance) P-C4' energy: -51.437
flat angles C4'-P-C4' energy: -64.471
flat angles P-C4'-P energy: -37.320
tors. eta vs tors. theta energy: -84.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -901.727520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.727520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.727520 (E_RNA)
where:
Base-Base interactions energy: -608.935
where: short stacking energy: -282.803
Base-Backbone interact. energy: -0.306
local terms energy: -292.485895
where:
bonds (distance) C4'-P energy: -42.914
bonds (distance) P-C4' energy: -61.298
flat angles C4'-P-C4' energy: -64.227
flat angles P-C4'-P energy: -41.479
tors. eta vs tors. theta energy: -82.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -913.827882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.827882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.827882 (E_RNA)
where:
Base-Base interactions energy: -631.470
where: short stacking energy: -278.342
Base-Backbone interact. energy: -0.821
local terms energy: -281.537489
where:
bonds (distance) C4'-P energy: -42.260
bonds (distance) P-C4' energy: -56.292
flat angles C4'-P-C4' energy: -53.609
flat angles P-C4'-P energy: -41.784
tors. eta vs tors. theta energy: -87.593
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: 234
Temperature: 1.050000
Total energy: -872.008703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.008703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.008703 (E_RNA)
where:
Base-Base interactions energy: -594.309
where: short stacking energy: -259.394
Base-Backbone interact. energy: -0.811
local terms energy: -276.888566
where:
bonds (distance) C4'-P energy: -46.369
bonds (distance) P-C4' energy: -59.155
flat angles C4'-P-C4' energy: -55.993
flat angles P-C4'-P energy: -36.671
tors. eta vs tors. theta energy: -78.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -814.327657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.327657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.327657 (E_RNA)
where:
Base-Base interactions energy: -558.342
where: short stacking energy: -244.332
Base-Backbone interact. energy: -0.319
local terms energy: -255.667357
where:
bonds (distance) C4'-P energy: -46.655
bonds (distance) P-C4' energy: -50.843
flat angles C4'-P-C4' energy: -54.388
flat angles P-C4'-P energy: -35.425
tors. eta vs tors. theta energy: -68.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -792.686932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.686932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.686932 (E_RNA)
where:
Base-Base interactions energy: -546.283
where: short stacking energy: -236.958
Base-Backbone interact. energy: -0.697
local terms energy: -245.706412
where:
bonds (distance) C4'-P energy: -41.778
bonds (distance) P-C4' energy: -50.851
flat angles C4'-P-C4' energy: -56.362
flat angles P-C4'-P energy: -27.305
tors. eta vs tors. theta energy: -69.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -669.471488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.471488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.471488 (E_RNA)
where:
Base-Base interactions energy: -432.403
where: short stacking energy: -206.403
Base-Backbone interact. energy: -1.220
local terms energy: -235.848540
where:
bonds (distance) C4'-P energy: -47.577
bonds (distance) P-C4' energy: -46.339
flat angles C4'-P-C4' energy: -50.991
flat angles P-C4'-P energy: -31.549
tors. eta vs tors. theta energy: -59.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -673.020836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.020836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.020836 (E_RNA)
where:
Base-Base interactions energy: -448.041
where: short stacking energy: -196.469
Base-Backbone interact. energy: -0.478
local terms energy: -224.501939
where:
bonds (distance) C4'-P energy: -46.885
bonds (distance) P-C4' energy: -51.911
flat angles C4'-P-C4' energy: -49.273
flat angles P-C4'-P energy: -23.642
tors. eta vs tors. theta energy: -52.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -547.113172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.113172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.113172 (E_RNA)
where:
Base-Base interactions energy: -343.397
where: short stacking energy: -149.345
Base-Backbone interact. energy: -1.384
local terms energy: -202.332381
where:
bonds (distance) C4'-P energy: -41.827
bonds (distance) P-C4' energy: -44.635
flat angles C4'-P-C4' energy: -44.037
flat angles P-C4'-P energy: -35.799
tors. eta vs tors. theta energy: -36.035
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: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -223.273054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.273054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.273054 (E_RNA)
where:
Base-Base interactions energy: -73.122
where: short stacking energy: -67.822
Base-Backbone interact. energy: -0.298
local terms energy: -149.852903
where:
bonds (distance) C4'-P energy: -46.088
bonds (distance) P-C4' energy: -44.595
flat angles C4'-P-C4' energy: -35.584
flat angles P-C4'-P energy: -29.534
tors. eta vs tors. theta energy: 5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -941.839567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.839567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.839567 (E_RNA)
where:
Base-Base interactions energy: -661.101
where: short stacking energy: -278.633
Base-Backbone interact. energy: -0.897
local terms energy: -279.840726
where:
bonds (distance) C4'-P energy: -54.626
bonds (distance) P-C4' energy: -45.268
flat angles C4'-P-C4' energy: -57.955
flat angles P-C4'-P energy: -42.546
tors. eta vs tors. theta energy: -79.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -906.342521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.342521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.342521 (E_RNA)
where:
Base-Base interactions energy: -633.929
where: short stacking energy: -268.326
Base-Backbone interact. energy: -1.589
local terms energy: -270.824950
where:
bonds (distance) C4'-P energy: -47.228
bonds (distance) P-C4' energy: -43.436
flat angles C4'-P-C4' energy: -60.672
flat angles P-C4'-P energy: -41.333
tors. eta vs tors. theta energy: -78.157
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: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -909.910380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.910380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.910380 (E_RNA)
where:
Base-Base interactions energy: -637.004
where: short stacking energy: -280.756
Base-Backbone interact. energy: -0.229
local terms energy: -272.677144
where:
bonds (distance) C4'-P energy: -48.373
bonds (distance) P-C4' energy: -43.953
flat angles C4'-P-C4' energy: -57.189
flat angles P-C4'-P energy: -40.302
tors. eta vs tors. theta energy: -82.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -862.171952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.171952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.171952 (E_RNA)
where:
Base-Base interactions energy: -597.647
where: short stacking energy: -249.605
Base-Backbone interact. energy: -1.576
local terms energy: -262.948846
where:
bonds (distance) C4'-P energy: -47.888
bonds (distance) P-C4' energy: -49.283
flat angles C4'-P-C4' energy: -54.686
flat angles P-C4'-P energy: -39.794
tors. eta vs tors. theta energy: -71.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -826.602272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.602272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.602272 (E_RNA)
where:
Base-Base interactions energy: -569.883
where: short stacking energy: -240.089
Base-Backbone interact. energy: -0.534
local terms energy: -256.185447
where:
bonds (distance) C4'-P energy: -42.795
bonds (distance) P-C4' energy: -51.267
flat angles C4'-P-C4' energy: -60.945
flat angles P-C4'-P energy: -33.126
tors. eta vs tors. theta energy: -68.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -753.098027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.098027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.098027 (E_RNA)
where:
Base-Base interactions energy: -521.586
where: short stacking energy: -200.038
Base-Backbone interact. energy: 1.411
local terms energy: -232.923021
where:
bonds (distance) C4'-P energy: -49.353
bonds (distance) P-C4' energy: -45.716
flat angles C4'-P-C4' energy: -49.391
flat angles P-C4'-P energy: -33.635
tors. eta vs tors. theta energy: -54.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -648.971207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.971207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.971207 (E_RNA)
where:
Base-Base interactions energy: -427.697
where: short stacking energy: -186.715
Base-Backbone interact. energy: -1.152
local terms energy: -220.122280
where:
bonds (distance) C4'-P energy: -32.359
bonds (distance) P-C4' energy: -47.512
flat angles C4'-P-C4' energy: -50.160
flat angles P-C4'-P energy: -42.020
tors. eta vs tors. theta energy: -48.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -663.376552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.376552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.376552 (E_RNA)
where:
Base-Base interactions energy: -433.675
where: short stacking energy: -178.143
Base-Backbone interact. energy: 0.004
local terms energy: -229.705573
where:
bonds (distance) C4'-P energy: -43.866
bonds (distance) P-C4' energy: -48.952
flat angles C4'-P-C4' energy: -57.794
flat angles P-C4'-P energy: -28.666
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: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -543.094267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.094267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.094267 (E_RNA)
where:
Base-Base interactions energy: -346.717
where: short stacking energy: -157.464
Base-Backbone interact. energy: -0.997
local terms energy: -195.379796
where:
bonds (distance) C4'-P energy: -34.798
bonds (distance) P-C4' energy: -53.558
flat angles C4'-P-C4' energy: -39.598
flat angles P-C4'-P energy: -28.391
tors. eta vs tors. theta energy: -39.035
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: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -247.642313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.642313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.642313 (E_RNA)
where:
Base-Base interactions energy: -108.519
where: short stacking energy: -84.273
Base-Backbone interact. energy: -0.693
local terms energy: -138.430972
where:
bonds (distance) C4'-P energy: -41.259
bonds (distance) P-C4' energy: -39.890
flat angles C4'-P-C4' energy: -35.798
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -933.018741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.018741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.018741 (E_RNA)
where:
Base-Base interactions energy: -637.730
where: short stacking energy: -284.017
Base-Backbone interact. energy: 1.198
local terms energy: -296.486831
where:
bonds (distance) C4'-P energy: -55.703
bonds (distance) P-C4' energy: -54.551
flat angles C4'-P-C4' energy: -58.853
flat angles P-C4'-P energy: -40.862
tors. eta vs tors. theta energy: -86.517
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: 236
Temperature: 0.950000
Total energy: -916.526713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.526713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.526713 (E_RNA)
where:
Base-Base interactions energy: -632.550
where: short stacking energy: -265.626
Base-Backbone interact. energy: -2.202
local terms energy: -281.774011
where:
bonds (distance) C4'-P energy: -53.963
bonds (distance) P-C4' energy: -50.907
flat angles C4'-P-C4' energy: -59.449
flat angles P-C4'-P energy: -36.528
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: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -875.895284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.895284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.895284 (E_RNA)
where:
Base-Base interactions energy: -594.566
where: short stacking energy: -259.757
Base-Backbone interact. energy: 1.221
local terms energy: -282.550356
where:
bonds (distance) C4'-P energy: -51.589
bonds (distance) P-C4' energy: -50.415
flat angles C4'-P-C4' energy: -60.135
flat angles P-C4'-P energy: -41.935
tors. eta vs tors. theta energy: -78.476
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: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -856.303940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.303940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.303940 (E_RNA)
where:
Base-Base interactions energy: -591.251
where: short stacking energy: -247.401
Base-Backbone interact. energy: -0.382
local terms energy: -264.670735
where:
bonds (distance) C4'-P energy: -45.549
bonds (distance) P-C4' energy: -52.681
flat angles C4'-P-C4' energy: -58.856
flat angles P-C4'-P energy: -36.431
tors. eta vs tors. theta energy: -71.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -812.959975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.959975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.959975 (E_RNA)
where:
Base-Base interactions energy: -567.316
where: short stacking energy: -233.994
Base-Backbone interact. energy: -0.705
local terms energy: -244.939313
where:
bonds (distance) C4'-P energy: -37.350
bonds (distance) P-C4' energy: -55.164
flat angles C4'-P-C4' energy: -53.514
flat angles P-C4'-P energy: -36.266
tors. eta vs tors. theta energy: -62.645
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: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -755.489166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.489166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.489166 (E_RNA)
where:
Base-Base interactions energy: -517.624
where: short stacking energy: -209.119
Base-Backbone interact. energy: 0.562
local terms energy: -238.426503
where:
bonds (distance) C4'-P energy: -46.545
bonds (distance) P-C4' energy: -47.874
flat angles C4'-P-C4' energy: -52.222
flat angles P-C4'-P energy: -32.233
tors. eta vs tors. theta energy: -59.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -640.862863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.862863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.862863 (E_RNA)
where:
Base-Base interactions energy: -421.235
where: short stacking energy: -185.841
Base-Backbone interact. energy: -0.084
local terms energy: -219.544147
where:
bonds (distance) C4'-P energy: -41.294
bonds (distance) P-C4' energy: -54.515
flat angles C4'-P-C4' energy: -47.597
flat angles P-C4'-P energy: -25.357
tors. eta vs tors. theta energy: -50.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -657.702277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.702277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.702277 (E_RNA)
where:
Base-Base interactions energy: -450.509
where: short stacking energy: -200.083
Base-Backbone interact. energy: 1.947
local terms energy: -209.140846
where:
bonds (distance) C4'-P energy: -34.484
bonds (distance) P-C4' energy: -49.313
flat angles C4'-P-C4' energy: -42.576
flat angles P-C4'-P energy: -31.598
tors. eta vs tors. theta energy: -51.170
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: 236
Temperature: 1.300000
Total energy: -541.195214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.195214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.195214 (E_RNA)
where:
Base-Base interactions energy: -354.957
where: short stacking energy: -145.740
Base-Backbone interact. energy: -1.369
local terms energy: -184.869569
where:
bonds (distance) C4'-P energy: -47.845
bonds (distance) P-C4' energy: -43.663
flat angles C4'-P-C4' energy: -33.719
flat angles P-C4'-P energy: -29.295
tors. eta vs tors. theta energy: -30.347
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: 236
Temperature: 1.350000
Total energy: -225.414838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.414838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.414838 (E_RNA)
where:
Base-Base interactions energy: -60.563
where: short stacking energy: -57.558
Base-Backbone interact. energy: 0.770
local terms energy: -165.622666
where:
bonds (distance) C4'-P energy: -34.701
bonds (distance) P-C4' energy: -59.385
flat angles C4'-P-C4' energy: -47.852
flat angles P-C4'-P energy: -29.480
tors. eta vs tors. theta energy: 5.796
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: 3
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -948.461876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.461876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.461876 (E_RNA)
where:
Base-Base interactions energy: -649.044
where: short stacking energy: -284.499
Base-Backbone interact. energy: 0.697
local terms energy: -300.114877
where:
bonds (distance) C4'-P energy: -55.396
bonds (distance) P-C4' energy: -56.139
flat angles C4'-P-C4' energy: -61.397
flat angles P-C4'-P energy: -44.214
tors. eta vs tors. theta energy: -82.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -905.119880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.119880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.119880 (E_RNA)
where:
Base-Base interactions energy: -632.538
where: short stacking energy: -264.927
Base-Backbone interact. energy: -0.535
local terms energy: -272.046946
where:
bonds (distance) C4'-P energy: -50.936
bonds (distance) P-C4' energy: -48.370
flat angles C4'-P-C4' energy: -61.028
flat angles P-C4'-P energy: -34.309
tors. eta vs tors. theta energy: -77.403
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: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -883.500107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.500107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.500107 (E_RNA)
where:
Base-Base interactions energy: -610.753
where: short stacking energy: -273.925
Base-Backbone interact. energy: -0.191
local terms energy: -272.555303
where:
bonds (distance) C4'-P energy: -48.269
bonds (distance) P-C4' energy: -48.607
flat angles C4'-P-C4' energy: -62.140
flat angles P-C4'-P energy: -40.349
tors. eta vs tors. theta energy: -73.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -855.647910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.647910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.647910 (E_RNA)
where:
Base-Base interactions energy: -594.246
where: short stacking energy: -255.224
Base-Backbone interact. energy: -0.475
local terms energy: -260.927655
where:
bonds (distance) C4'-P energy: -51.927
bonds (distance) P-C4' energy: -43.687
flat angles C4'-P-C4' energy: -56.028
flat angles P-C4'-P energy: -35.978
tors. eta vs tors. theta energy: -73.306
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: 5, replica: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -790.841907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.841907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.841907 (E_RNA)
where:
Base-Base interactions energy: -563.670
where: short stacking energy: -227.730
Base-Backbone interact. energy: 0.727
local terms energy: -227.898316
where:
bonds (distance) C4'-P energy: -47.401
bonds (distance) P-C4' energy: -43.899
flat angles C4'-P-C4' energy: -51.259
flat angles P-C4'-P energy: -26.180
tors. eta vs tors. theta energy: -59.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -775.392138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.392138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.392138 (E_RNA)
where:
Base-Base interactions energy: -528.915
where: short stacking energy: -233.476
Base-Backbone interact. energy: -0.518
local terms energy: -245.958569
where:
bonds (distance) C4'-P energy: -51.430
bonds (distance) P-C4' energy: -43.563
flat angles C4'-P-C4' energy: -52.839
flat angles P-C4'-P energy: -28.768
tors. eta vs tors. theta energy: -69.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -649.285997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.285997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.285997 (E_RNA)
where:
Base-Base interactions energy: -446.538
where: short stacking energy: -185.780
Base-Backbone interact. energy: -2.161
local terms energy: -200.587285
where:
bonds (distance) C4'-P energy: -43.348
bonds (distance) P-C4' energy: -49.774
flat angles C4'-P-C4' energy: -37.567
flat angles P-C4'-P energy: -27.175
tors. eta vs tors. theta energy: -42.723
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: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -626.115762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.115762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.115762 (E_RNA)
where:
Base-Base interactions energy: -429.389
where: short stacking energy: -195.395
Base-Backbone interact. energy: -0.048
local terms energy: -196.678643
where:
bonds (distance) C4'-P energy: -34.547
bonds (distance) P-C4' energy: -37.596
flat angles C4'-P-C4' energy: -46.346
flat angles P-C4'-P energy: -27.908
tors. eta vs tors. theta energy: -50.282
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: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -604.916569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.916569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.916569 (E_RNA)
where:
Base-Base interactions energy: -401.925
where: short stacking energy: -178.536
Base-Backbone interact. energy: -0.405
local terms energy: -202.585835
where:
bonds (distance) C4'-P energy: -43.299
bonds (distance) P-C4' energy: -44.332
flat angles C4'-P-C4' energy: -50.082
flat angles P-C4'-P energy: -18.576
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: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -245.376432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.376432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.376432 (E_RNA)
where:
Base-Base interactions energy: -103.827
where: short stacking energy: -69.782
Base-Backbone interact. energy: -0.296
local terms energy: -141.253141
where:
bonds (distance) C4'-P energy: -44.707
bonds (distance) P-C4' energy: -39.501
flat angles C4'-P-C4' energy: -43.364
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: 4.199
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: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -959.948527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.948527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.948527 (E_RNA)
where:
Base-Base interactions energy: -666.490
where: short stacking energy: -287.246
Base-Backbone interact. energy: -2.176
local terms energy: -291.282817
where:
bonds (distance) C4'-P energy: -48.000
bonds (distance) P-C4' energy: -52.094
flat angles C4'-P-C4' energy: -59.645
flat angles P-C4'-P energy: -43.041
tors. eta vs tors. theta energy: -88.503
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: 1
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -931.188055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.188055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.188055 (E_RNA)
where:
Base-Base interactions energy: -646.791
where: short stacking energy: -284.223
Base-Backbone interact. energy: -0.161
local terms energy: -284.236129
where:
bonds (distance) C4'-P energy: -41.567
bonds (distance) P-C4' energy: -50.667
flat angles C4'-P-C4' energy: -57.707
flat angles P-C4'-P energy: -48.281
tors. eta vs tors. theta energy: -86.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -888.039370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.039370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.039370 (E_RNA)
where:
Base-Base interactions energy: -603.345
where: short stacking energy: -276.253
Base-Backbone interact. energy: -0.511
local terms energy: -284.183411
where:
bonds (distance) C4'-P energy: -50.556
bonds (distance) P-C4' energy: -54.229
flat angles C4'-P-C4' energy: -58.502
flat angles P-C4'-P energy: -39.227
tors. eta vs tors. theta energy: -81.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -857.122810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.122810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.122810 (E_RNA)
where:
Base-Base interactions energy: -591.265
where: short stacking energy: -263.648
Base-Backbone interact. energy: -1.028
local terms energy: -264.829484
where:
bonds (distance) C4'-P energy: -52.129
bonds (distance) P-C4' energy: -49.118
flat angles C4'-P-C4' energy: -55.001
flat angles P-C4'-P energy: -34.371
tors. eta vs tors. theta energy: -74.210
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: 238
Temperature: 1.100000
Total energy: -780.307917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.307917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.307917 (E_RNA)
where:
Base-Base interactions energy: -533.510
where: short stacking energy: -226.501
Base-Backbone interact. energy: -0.411
local terms energy: -246.386680
where:
bonds (distance) C4'-P energy: -48.456
bonds (distance) P-C4' energy: -55.218
flat angles C4'-P-C4' energy: -52.784
flat angles P-C4'-P energy: -34.340
tors. eta vs tors. theta energy: -55.588
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: 8
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -809.516557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.516557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.516557 (E_RNA)
where:
Base-Base interactions energy: -551.787
where: short stacking energy: -227.717
Base-Backbone interact. energy: -1.162
local terms energy: -256.567678
where:
bonds (distance) C4'-P energy: -48.589
bonds (distance) P-C4' energy: -44.510
flat angles C4'-P-C4' energy: -59.973
flat angles P-C4'-P energy: -37.750
tors. eta vs tors. theta energy: -65.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -668.285853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.285853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.285853 (E_RNA)
where:
Base-Base interactions energy: -446.854
where: short stacking energy: -184.048
Base-Backbone interact. energy: -0.162
local terms energy: -221.269966
where:
bonds (distance) C4'-P energy: -40.384
bonds (distance) P-C4' energy: -45.201
flat angles C4'-P-C4' energy: -54.862
flat angles P-C4'-P energy: -34.420
tors. eta vs tors. theta energy: -46.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -683.405935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.405935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.405935 (E_RNA)
where:
Base-Base interactions energy: -467.142
where: short stacking energy: -207.989
Base-Backbone interact. energy: -0.743
local terms energy: -215.521181
where:
bonds (distance) C4'-P energy: -31.837
bonds (distance) P-C4' energy: -39.085
flat angles C4'-P-C4' energy: -45.247
flat angles P-C4'-P energy: -39.680
tors. eta vs tors. theta energy: -59.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -656.474251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.474251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.474251 (E_RNA)
where:
Base-Base interactions energy: -455.855
where: short stacking energy: -198.810
Base-Backbone interact. energy: 0.751
local terms energy: -201.370362
where:
bonds (distance) C4'-P energy: -32.701
bonds (distance) P-C4' energy: -43.773
flat angles C4'-P-C4' energy: -47.119
flat angles P-C4'-P energy: -36.089
tors. eta vs tors. theta energy: -41.688
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: 238
Temperature: 1.350000
Total energy: -220.671900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.671900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.671900 (E_RNA)
where:
Base-Base interactions energy: -76.767
where: short stacking energy: -64.421
Base-Backbone interact. energy: -0.957
local terms energy: -142.947387
where:
bonds (distance) C4'-P energy: -38.028
bonds (distance) P-C4' energy: -45.478
flat angles C4'-P-C4' energy: -35.009
flat angles P-C4'-P energy: -23.508
tors. eta vs tors. theta energy: -0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -979.058486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.058486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.058486 (E_RNA)
where:
Base-Base interactions energy: -686.507
where: short stacking energy: -284.314
Base-Backbone interact. energy: 0.693
local terms energy: -293.244984
where:
bonds (distance) C4'-P energy: -52.926
bonds (distance) P-C4' energy: -51.997
flat angles C4'-P-C4' energy: -59.338
flat angles P-C4'-P energy: -40.109
tors. eta vs tors. theta energy: -88.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -958.521270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.521270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.521270 (E_RNA)
where:
Base-Base interactions energy: -674.878
where: short stacking energy: -288.956
Base-Backbone interact. energy: 0.722
local terms energy: -284.365586
where:
bonds (distance) C4'-P energy: -45.048
bonds (distance) P-C4' energy: -59.509
flat angles C4'-P-C4' energy: -59.354
flat angles P-C4'-P energy: -35.905
tors. eta vs tors. theta energy: -84.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -865.295734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.295734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.295734 (E_RNA)
where:
Base-Base interactions energy: -592.621
where: short stacking energy: -269.225
Base-Backbone interact. energy: -0.221
local terms energy: -272.453735
where:
bonds (distance) C4'-P energy: -47.597
bonds (distance) P-C4' energy: -50.971
flat angles C4'-P-C4' energy: -58.985
flat angles P-C4'-P energy: -37.115
tors. eta vs tors. theta energy: -77.786
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: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -840.088856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.088856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.088856 (E_RNA)
where:
Base-Base interactions energy: -573.831
where: short stacking energy: -256.894
Base-Backbone interact. energy: -0.646
local terms energy: -265.611972
where:
bonds (distance) C4'-P energy: -44.261
bonds (distance) P-C4' energy: -48.501
flat angles C4'-P-C4' energy: -54.364
flat angles P-C4'-P energy: -39.584
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: 5, replica: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -793.356836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.356836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.356836 (E_RNA)
where:
Base-Base interactions energy: -535.028
where: short stacking energy: -226.755
Base-Backbone interact. energy: -1.213
local terms energy: -257.115206
where:
bonds (distance) C4'-P energy: -58.631
bonds (distance) P-C4' energy: -45.286
flat angles C4'-P-C4' energy: -60.888
flat angles P-C4'-P energy: -26.715
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: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -714.542395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.542395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.542395 (E_RNA)
where:
Base-Base interactions energy: -474.518
where: short stacking energy: -209.581
Base-Backbone interact. energy: -0.211
local terms energy: -239.813912
where:
bonds (distance) C4'-P energy: -49.676
bonds (distance) P-C4' energy: -52.218
flat angles C4'-P-C4' energy: -48.820
flat angles P-C4'-P energy: -29.662
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: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -790.669471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.669471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.669471 (E_RNA)
where:
Base-Base interactions energy: -534.847
where: short stacking energy: -223.936
Base-Backbone interact. energy: -1.257
local terms energy: -254.564911
where:
bonds (distance) C4'-P energy: -48.925
bonds (distance) P-C4' energy: -47.365
flat angles C4'-P-C4' energy: -55.505
flat angles P-C4'-P energy: -35.773
tors. eta vs tors. theta energy: -66.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -603.102374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.102374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.102374 (E_RNA)
where:
Base-Base interactions energy: -394.677
where: short stacking energy: -152.545
Base-Backbone interact. energy: -0.434
local terms energy: -207.991648
where:
bonds (distance) C4'-P energy: -52.036
bonds (distance) P-C4' energy: -38.618
flat angles C4'-P-C4' energy: -47.722
flat angles P-C4'-P energy: -30.015
tors. eta vs tors. theta energy: -39.601
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: 9, replica: 9
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -632.961198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.961198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.961198 (E_RNA)
where:
Base-Base interactions energy: -414.946
where: short stacking energy: -151.467
Base-Backbone interact. energy: -0.883
local terms energy: -217.132795
where:
bonds (distance) C4'-P energy: -47.037
bonds (distance) P-C4' energy: -57.659
flat angles C4'-P-C4' energy: -52.696
flat angles P-C4'-P energy: -29.824
tors. eta vs tors. theta energy: -29.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -230.941337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.941337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.941337 (E_RNA)
where:
Base-Base interactions energy: -73.159
where: short stacking energy: -67.489
Base-Backbone interact. energy: -1.057
local terms energy: -156.725258
where:
bonds (distance) C4'-P energy: -40.284
bonds (distance) P-C4' energy: -48.373
flat angles C4'-P-C4' energy: -41.941
flat angles P-C4'-P energy: -26.195
tors. eta vs tors. theta energy: 0.068
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: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -959.695144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.695144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.695144 (E_RNA)
where:
Base-Base interactions energy: -657.393
where: short stacking energy: -297.353
Base-Backbone interact. energy: -1.392
local terms energy: -300.910520
where:
bonds (distance) C4'-P energy: -56.306
bonds (distance) P-C4' energy: -53.720
flat angles C4'-P-C4' energy: -63.648
flat angles P-C4'-P energy: -38.331
tors. eta vs tors. theta energy: -88.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -941.298280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.298280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.298280 (E_RNA)
where:
Base-Base interactions energy: -658.033
where: short stacking energy: -285.134
Base-Backbone interact. energy: -1.041
local terms energy: -282.224175
where:
bonds (distance) C4'-P energy: -48.761
bonds (distance) P-C4' energy: -49.459
flat angles C4'-P-C4' energy: -57.873
flat angles P-C4'-P energy: -39.815
tors. eta vs tors. theta energy: -86.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -892.686657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.686657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.686657 (E_RNA)
where:
Base-Base interactions energy: -638.322
where: short stacking energy: -285.248
Base-Backbone interact. energy: 0.810
local terms energy: -255.174604
where:
bonds (distance) C4'-P energy: -47.454
bonds (distance) P-C4' energy: -48.778
flat angles C4'-P-C4' energy: -55.002
flat angles P-C4'-P energy: -26.496
tors. eta vs tors. theta energy: -77.444
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: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -816.664688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.664688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.664688 (E_RNA)
where:
Base-Base interactions energy: -559.915
where: short stacking energy: -252.411
Base-Backbone interact. energy: -0.769
local terms energy: -255.980713
where:
bonds (distance) C4'-P energy: -45.563
bonds (distance) P-C4' energy: -47.240
flat angles C4'-P-C4' energy: -55.286
flat angles P-C4'-P energy: -38.713
tors. eta vs tors. theta energy: -69.179
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: 6
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -846.123536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.123536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.123536 (E_RNA)
where:
Base-Base interactions energy: -561.087
where: short stacking energy: -250.667
Base-Backbone interact. energy: -0.977
local terms energy: -284.059358
where:
bonds (distance) C4'-P energy: -48.582
bonds (distance) P-C4' energy: -51.687
flat angles C4'-P-C4' energy: -59.946
flat angles P-C4'-P energy: -45.821
tors. eta vs tors. theta energy: -78.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -723.037476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.037476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.037476 (E_RNA)
where:
Base-Base interactions energy: -481.192
where: short stacking energy: -202.091
Base-Backbone interact. energy: -0.616
local terms energy: -241.229465
where:
bonds (distance) C4'-P energy: -47.885
bonds (distance) P-C4' energy: -52.461
flat angles C4'-P-C4' energy: -53.355
flat angles P-C4'-P energy: -29.004
tors. eta vs tors. theta energy: -58.525
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: 240
Temperature: 1.200000
Total energy: -786.179820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.179820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.179820 (E_RNA)
where:
Base-Base interactions energy: -555.263
where: short stacking energy: -238.272
Base-Backbone interact. energy: -0.296
local terms energy: -230.621533
where:
bonds (distance) C4'-P energy: -30.924
bonds (distance) P-C4' energy: -38.993
flat angles C4'-P-C4' energy: -49.199
flat angles P-C4'-P energy: -34.997
tors. eta vs tors. theta energy: -76.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -627.488240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.488240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.488240 (E_RNA)
where:
Base-Base interactions energy: -435.646
where: short stacking energy: -186.615
Base-Backbone interact. energy: 0.803
local terms energy: -192.645353
where:
bonds (distance) C4'-P energy: -45.121
bonds (distance) P-C4' energy: -36.973
flat angles C4'-P-C4' energy: -42.644
flat angles P-C4'-P energy: -25.902
tors. eta vs tors. theta energy: -42.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -626.811692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.811692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.811692 (E_RNA)
where:
Base-Base interactions energy: -423.782
where: short stacking energy: -172.889
Base-Backbone interact. energy: -0.641
local terms energy: -202.388242
where:
bonds (distance) C4'-P energy: -36.886
bonds (distance) P-C4' energy: -46.460
flat angles C4'-P-C4' energy: -45.286
flat angles P-C4'-P energy: -31.764
tors. eta vs tors. theta energy: -41.992
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: 240
Temperature: 1.350000
Total energy: -224.876693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.876693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.876693 (E_RNA)
where:
Base-Base interactions energy: -90.807
where: short stacking energy: -66.882
Base-Backbone interact. energy: -0.522
local terms energy: -133.547618
where:
bonds (distance) C4'-P energy: -28.985
bonds (distance) P-C4' energy: -43.948
flat angles C4'-P-C4' energy: -42.786
flat angles P-C4'-P energy: -18.941
tors. eta vs tors. theta energy: 1.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -950.721557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.721557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.721557 (E_RNA)
where:
Base-Base interactions energy: -661.891
where: short stacking energy: -274.367
Base-Backbone interact. energy: -0.989
local terms energy: -287.841089
where:
bonds (distance) C4'-P energy: -53.185
bonds (distance) P-C4' energy: -54.720
flat angles C4'-P-C4' energy: -58.432
flat angles P-C4'-P energy: -40.013
tors. eta vs tors. theta energy: -81.491
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: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -944.513876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.513876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.513876 (E_RNA)
where:
Base-Base interactions energy: -644.462
where: short stacking energy: -279.938
Base-Backbone interact. energy: -2.134
local terms energy: -297.917439
where:
bonds (distance) C4'-P energy: -42.381
bonds (distance) P-C4' energy: -58.546
flat angles C4'-P-C4' energy: -66.783
flat angles P-C4'-P energy: -46.116
tors. eta vs tors. theta energy: -84.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -867.377167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.377167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.377167 (E_RNA)
where:
Base-Base interactions energy: -602.485
where: short stacking energy: -275.181
Base-Backbone interact. energy: -1.015
local terms energy: -263.876952
where:
bonds (distance) C4'-P energy: -39.349
bonds (distance) P-C4' energy: -52.722
flat angles C4'-P-C4' energy: -58.849
flat angles P-C4'-P energy: -40.461
tors. eta vs tors. theta energy: -72.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -829.706970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.706970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.706970 (E_RNA)
where:
Base-Base interactions energy: -555.357
where: short stacking energy: -245.087
Base-Backbone interact. energy: -0.871
local terms energy: -273.478673
where:
bonds (distance) C4'-P energy: -56.809
bonds (distance) P-C4' energy: -47.613
flat angles C4'-P-C4' energy: -56.781
flat angles P-C4'-P energy: -41.325
tors. eta vs tors. theta energy: -70.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -809.177591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.177591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.177591 (E_RNA)
where:
Base-Base interactions energy: -558.887
where: short stacking energy: -222.790
Base-Backbone interact. energy: 1.422
local terms energy: -251.712197
where:
bonds (distance) C4'-P energy: -47.721
bonds (distance) P-C4' energy: -45.575
flat angles C4'-P-C4' energy: -56.503
flat angles P-C4'-P energy: -39.045
tors. eta vs tors. theta energy: -62.868
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: 6, replica: 8
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -778.202748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.202748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.202748 (E_RNA)
where:
Base-Base interactions energy: -523.508
where: short stacking energy: -206.229
Base-Backbone interact. energy: -1.444
local terms energy: -253.251290
where:
bonds (distance) C4'-P energy: -55.670
bonds (distance) P-C4' energy: -46.421
flat angles C4'-P-C4' energy: -58.653
flat angles P-C4'-P energy: -27.330
tors. eta vs tors. theta energy: -65.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -693.966442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.966442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.966442 (E_RNA)
where:
Base-Base interactions energy: -478.687
where: short stacking energy: -193.837
Base-Backbone interact. energy: 0.519
local terms energy: -215.798662
where:
bonds (distance) C4'-P energy: -32.434
bonds (distance) P-C4' energy: -51.036
flat angles C4'-P-C4' energy: -48.829
flat angles P-C4'-P energy: -34.759
tors. eta vs tors. theta energy: -48.740
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: 8, replica: 7
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -635.781328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.781328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.781328 (E_RNA)
where:
Base-Base interactions energy: -429.497
where: short stacking energy: -185.881
Base-Backbone interact. energy: 0.147
local terms energy: -206.431528
where:
bonds (distance) C4'-P energy: -44.915
bonds (distance) P-C4' energy: -45.752
flat angles C4'-P-C4' energy: -44.324
flat angles P-C4'-P energy: -27.083
tors. eta vs tors. theta energy: -44.358
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: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -628.912780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.912780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.912780 (E_RNA)
where:
Base-Base interactions energy: -425.556
where: short stacking energy: -182.955
Base-Backbone interact. energy: 0.571
local terms energy: -203.927742
where:
bonds (distance) C4'-P energy: -30.046
bonds (distance) P-C4' energy: -49.414
flat angles C4'-P-C4' energy: -48.352
flat angles P-C4'-P energy: -30.812
tors. eta vs tors. theta energy: -45.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -216.587130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.587130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.587130 (E_RNA)
where:
Base-Base interactions energy: -78.822
where: short stacking energy: -57.862
Base-Backbone interact. energy: -0.524
local terms energy: -137.241606
where:
bonds (distance) C4'-P energy: -40.058
bonds (distance) P-C4' energy: -47.165
flat angles C4'-P-C4' energy: -34.285
flat angles P-C4'-P energy: -18.877
tors. eta vs tors. theta energy: 3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -959.901548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.901548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.901548 (E_RNA)
where:
Base-Base interactions energy: -652.437
where: short stacking energy: -285.755
Base-Backbone interact. energy: -1.898
local terms energy: -305.566443
where:
bonds (distance) C4'-P energy: -61.684
bonds (distance) P-C4' energy: -51.000
flat angles C4'-P-C4' energy: -59.031
flat angles P-C4'-P energy: -43.483
tors. eta vs tors. theta energy: -90.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -942.187125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.187125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.187125 (E_RNA)
where:
Base-Base interactions energy: -647.340
where: short stacking energy: -293.214
Base-Backbone interact. energy: -0.419
local terms energy: -294.428116
where:
bonds (distance) C4'-P energy: -49.362
bonds (distance) P-C4' energy: -47.827
flat angles C4'-P-C4' energy: -59.789
flat angles P-C4'-P energy: -45.223
tors. eta vs tors. theta energy: -92.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -865.511964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.511964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.511964 (E_RNA)
where:
Base-Base interactions energy: -579.830
where: short stacking energy: -259.487
Base-Backbone interact. energy: -0.607
local terms energy: -285.075660
where:
bonds (distance) C4'-P energy: -53.212
bonds (distance) P-C4' energy: -55.773
flat angles C4'-P-C4' energy: -59.568
flat angles P-C4'-P energy: -37.961
tors. eta vs tors. theta energy: -78.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -814.965719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.965719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.965719 (E_RNA)
where:
Base-Base interactions energy: -561.183
where: short stacking energy: -227.699
Base-Backbone interact. energy: -0.492
local terms energy: -253.291252
where:
bonds (distance) C4'-P energy: -44.001
bonds (distance) P-C4' energy: -48.622
flat angles C4'-P-C4' energy: -54.464
flat angles P-C4'-P energy: -39.292
tors. eta vs tors. theta energy: -66.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -830.765690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.765690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.765690 (E_RNA)
where:
Base-Base interactions energy: -562.855
where: short stacking energy: -233.884
Base-Backbone interact. energy: 1.920
local terms energy: -269.830166
where:
bonds (distance) C4'-P energy: -49.825
bonds (distance) P-C4' energy: -55.866
flat angles C4'-P-C4' energy: -55.006
flat angles P-C4'-P energy: -39.929
tors. eta vs tors. theta energy: -69.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -815.156855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.156855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.156855 (E_RNA)
where:
Base-Base interactions energy: -560.194
where: short stacking energy: -243.638
Base-Backbone interact. energy: 0.535
local terms energy: -255.497758
where:
bonds (distance) C4'-P energy: -54.412
bonds (distance) P-C4' energy: -44.589
flat angles C4'-P-C4' energy: -54.234
flat angles P-C4'-P energy: -30.034
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: 7, replica: 4
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -702.150050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.150050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.150050 (E_RNA)
where:
Base-Base interactions energy: -452.700
where: short stacking energy: -200.390
Base-Backbone interact. energy: 0.097
local terms energy: -249.547640
where:
bonds (distance) C4'-P energy: -52.000
bonds (distance) P-C4' energy: -55.941
flat angles C4'-P-C4' energy: -44.378
flat angles P-C4'-P energy: -43.131
tors. eta vs tors. theta energy: -54.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -571.532893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.532893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.532893 (E_RNA)
where:
Base-Base interactions energy: -375.277
where: short stacking energy: -155.063
Base-Backbone interact. energy: -0.150
local terms energy: -196.106053
where:
bonds (distance) C4'-P energy: -47.429
bonds (distance) P-C4' energy: -39.331
flat angles C4'-P-C4' energy: -45.144
flat angles P-C4'-P energy: -31.612
tors. eta vs tors. theta energy: -32.589
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: 9
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -621.960194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.960194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.960194 (E_RNA)
where:
Base-Base interactions energy: -423.772
where: short stacking energy: -160.655
Base-Backbone interact. energy: 0.505
local terms energy: -198.693280
where:
bonds (distance) C4'-P energy: -34.456
bonds (distance) P-C4' energy: -51.670
flat angles C4'-P-C4' energy: -57.159
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: -32.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -244.702129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.702129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.702129 (E_RNA)
where:
Base-Base interactions energy: -111.665
where: short stacking energy: -81.408
Base-Backbone interact. energy: -0.907
local terms energy: -132.130307
where:
bonds (distance) C4'-P energy: -51.651
bonds (distance) P-C4' energy: -26.221
flat angles C4'-P-C4' energy: -35.152
flat angles P-C4'-P energy: -21.249
tors. eta vs tors. theta energy: 2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -957.359990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.359990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.359990 (E_RNA)
where:
Base-Base interactions energy: -664.598
where: short stacking energy: -304.103
Base-Backbone interact. energy: -1.967
local terms energy: -290.795110
where:
bonds (distance) C4'-P energy: -54.335
bonds (distance) P-C4' energy: -53.046
flat angles C4'-P-C4' energy: -58.544
flat angles P-C4'-P energy: -32.555
tors. eta vs tors. theta energy: -92.313
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: 243
Temperature: 0.950000
Total energy: -941.848904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.848904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.848904 (E_RNA)
where:
Base-Base interactions energy: -652.352
where: short stacking energy: -281.940
Base-Backbone interact. energy: -0.204
local terms energy: -289.293304
where:
bonds (distance) C4'-P energy: -52.570
bonds (distance) P-C4' energy: -54.529
flat angles C4'-P-C4' energy: -55.464
flat angles P-C4'-P energy: -41.254
tors. eta vs tors. theta energy: -85.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -833.132297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.132297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.132297 (E_RNA)
where:
Base-Base interactions energy: -581.868
where: short stacking energy: -252.658
Base-Backbone interact. energy: 0.017
local terms energy: -251.281813
where:
bonds (distance) C4'-P energy: -46.855
bonds (distance) P-C4' energy: -49.463
flat angles C4'-P-C4' energy: -48.614
flat angles P-C4'-P energy: -34.705
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: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -818.088237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.088237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.088237 (E_RNA)
where:
Base-Base interactions energy: -562.088
where: short stacking energy: -239.831
Base-Backbone interact. energy: 2.169
local terms energy: -258.168782
where:
bonds (distance) C4'-P energy: -52.327
bonds (distance) P-C4' energy: -41.139
flat angles C4'-P-C4' energy: -55.543
flat angles P-C4'-P energy: -41.787
tors. eta vs tors. theta energy: -67.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -792.477853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.477853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.477853 (E_RNA)
where:
Base-Base interactions energy: -546.448
where: short stacking energy: -232.206
Base-Backbone interact. energy: 1.183
local terms energy: -247.212889
where:
bonds (distance) C4'-P energy: -36.937
bonds (distance) P-C4' energy: -56.188
flat angles C4'-P-C4' energy: -57.778
flat angles P-C4'-P energy: -31.640
tors. eta vs tors. theta energy: -64.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -800.888253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.888253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.888253 (E_RNA)
where:
Base-Base interactions energy: -541.906
where: short stacking energy: -248.847
Base-Backbone interact. energy: -0.848
local terms energy: -258.135226
where:
bonds (distance) C4'-P energy: -44.095
bonds (distance) P-C4' energy: -46.341
flat angles C4'-P-C4' energy: -53.253
flat angles P-C4'-P energy: -42.782
tors. eta vs tors. theta energy: -71.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -693.983078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.983078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.983078 (E_RNA)
where:
Base-Base interactions energy: -476.333
where: short stacking energy: -211.923
Base-Backbone interact. energy: -0.235
local terms energy: -217.414855
where:
bonds (distance) C4'-P energy: -46.902
bonds (distance) P-C4' energy: -40.629
flat angles C4'-P-C4' energy: -49.313
flat angles P-C4'-P energy: -17.465
tors. eta vs tors. theta energy: -63.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -633.015747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.015747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.015747 (E_RNA)
where:
Base-Base interactions energy: -430.164
where: short stacking energy: -172.479
Base-Backbone interact. energy: -0.844
local terms energy: -202.007671
where:
bonds (distance) C4'-P energy: -39.351
bonds (distance) P-C4' energy: -50.554
flat angles C4'-P-C4' energy: -45.779
flat angles P-C4'-P energy: -32.980
tors. eta vs tors. theta energy: -33.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -544.533991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.533991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.533991 (E_RNA)
where:
Base-Base interactions energy: -352.342
where: short stacking energy: -156.230
Base-Backbone interact. energy: -0.523
local terms energy: -191.668975
where:
bonds (distance) C4'-P energy: -49.192
bonds (distance) P-C4' energy: -41.895
flat angles C4'-P-C4' energy: -40.227
flat angles P-C4'-P energy: -22.823
tors. eta vs tors. theta energy: -37.532
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: 243
Temperature: 1.350000
Total energy: -225.957248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.957248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.957248 (E_RNA)
where:
Base-Base interactions energy: -65.959
where: short stacking energy: -63.994
Base-Backbone interact. energy: -1.827
local terms energy: -158.171429
where:
bonds (distance) C4'-P energy: -48.488
bonds (distance) P-C4' energy: -51.520
flat angles C4'-P-C4' energy: -49.312
flat angles P-C4'-P energy: -16.900
tors. eta vs tors. theta energy: 8.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -945.214765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.214765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.214765 (E_RNA)
where:
Base-Base interactions energy: -651.538
where: short stacking energy: -283.428
Base-Backbone interact. energy: -1.134
local terms energy: -292.542411
where:
bonds (distance) C4'-P energy: -55.881
bonds (distance) P-C4' energy: -50.521
flat angles C4'-P-C4' energy: -58.776
flat angles P-C4'-P energy: -41.157
tors. eta vs tors. theta energy: -86.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -936.254866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.254866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.254866 (E_RNA)
where:
Base-Base interactions energy: -651.811
where: short stacking energy: -301.728
Base-Backbone interact. energy: -0.878
local terms energy: -283.565818
where:
bonds (distance) C4'-P energy: -49.422
bonds (distance) P-C4' energy: -50.773
flat angles C4'-P-C4' energy: -58.974
flat angles P-C4'-P energy: -36.019
tors. eta vs tors. theta energy: -88.377
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: 3, replica: 5
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -848.727638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.727638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.727638 (E_RNA)
where:
Base-Base interactions energy: -596.046
where: short stacking energy: -270.381
Base-Backbone interact. energy: -0.883
local terms energy: -251.797757
where:
bonds (distance) C4'-P energy: -43.110
bonds (distance) P-C4' energy: -46.146
flat angles C4'-P-C4' energy: -52.934
flat angles P-C4'-P energy: -30.664
tors. eta vs tors. theta energy: -78.944
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: 6
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -843.373950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.373950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.373950 (E_RNA)
where:
Base-Base interactions energy: -586.051
where: short stacking energy: -254.138
Base-Backbone interact. energy: 1.280
local terms energy: -258.602927
where:
bonds (distance) C4'-P energy: -45.945
bonds (distance) P-C4' energy: -57.470
flat angles C4'-P-C4' energy: -53.763
flat angles P-C4'-P energy: -33.213
tors. eta vs tors. theta energy: -68.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -844.848543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.848543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.848543 (E_RNA)
where:
Base-Base interactions energy: -578.098
where: short stacking energy: -267.108
Base-Backbone interact. energy: 0.743
local terms energy: -267.493438
where:
bonds (distance) C4'-P energy: -49.963
bonds (distance) P-C4' energy: -46.828
flat angles C4'-P-C4' energy: -55.455
flat angles P-C4'-P energy: -35.203
tors. eta vs tors. theta energy: -80.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -792.092897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.092897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.092897 (E_RNA)
where:
Base-Base interactions energy: -552.912
where: short stacking energy: -227.423
Base-Backbone interact. energy: 0.152
local terms energy: -239.333369
where:
bonds (distance) C4'-P energy: -43.827
bonds (distance) P-C4' energy: -43.567
flat angles C4'-P-C4' energy: -46.589
flat angles P-C4'-P energy: -36.109
tors. eta vs tors. theta energy: -69.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -712.954904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.954904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.954904 (E_RNA)
where:
Base-Base interactions energy: -480.659
where: short stacking energy: -216.616
Base-Backbone interact. energy: -0.497
local terms energy: -231.798646
where:
bonds (distance) C4'-P energy: -40.245
bonds (distance) P-C4' energy: -43.652
flat angles C4'-P-C4' energy: -57.673
flat angles P-C4'-P energy: -34.801
tors. eta vs tors. theta energy: -55.428
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: 9
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -633.446907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.446907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.446907 (E_RNA)
where:
Base-Base interactions energy: -435.639
where: short stacking energy: -186.021
Base-Backbone interact. energy: -0.562
local terms energy: -197.245359
where:
bonds (distance) C4'-P energy: -37.048
bonds (distance) P-C4' energy: -41.735
flat angles C4'-P-C4' energy: -33.978
flat angles P-C4'-P energy: -38.749
tors. eta vs tors. theta energy: -45.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -539.096112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.096112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.096112 (E_RNA)
where:
Base-Base interactions energy: -336.855
where: short stacking energy: -159.691
Base-Backbone interact. energy: 0.397
local terms energy: -202.638290
where:
bonds (distance) C4'-P energy: -52.517
bonds (distance) P-C4' energy: -35.799
flat angles C4'-P-C4' energy: -45.542
flat angles P-C4'-P energy: -30.657
tors. eta vs tors. theta energy: -38.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -238.016836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.016836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.016836 (E_RNA)
where:
Base-Base interactions energy: -89.471
where: short stacking energy: -67.638
Base-Backbone interact. energy: -1.764
local terms energy: -146.781653
where:
bonds (distance) C4'-P energy: -48.714
bonds (distance) P-C4' energy: -39.778
flat angles C4'-P-C4' energy: -38.142
flat angles P-C4'-P energy: -22.651
tors. eta vs tors. theta energy: 2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -956.000978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.000978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.000978 (E_RNA)
where:
Base-Base interactions energy: -660.663
where: short stacking energy: -290.423
Base-Backbone interact. energy: -0.967
local terms energy: -294.370580
where:
bonds (distance) C4'-P energy: -51.566
bonds (distance) P-C4' energy: -52.862
flat angles C4'-P-C4' energy: -60.902
flat angles P-C4'-P energy: -44.907
tors. eta vs tors. theta energy: -84.135
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: 3
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -938.142534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.142534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.142534 (E_RNA)
where:
Base-Base interactions energy: -645.483
where: short stacking energy: -287.114
Base-Backbone interact. energy: 1.073
local terms energy: -293.732236
where:
bonds (distance) C4'-P energy: -53.769
bonds (distance) P-C4' energy: -51.782
flat angles C4'-P-C4' energy: -61.034
flat angles P-C4'-P energy: -36.773
tors. eta vs tors. theta energy: -90.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -837.049293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.049293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.049293 (E_RNA)
where:
Base-Base interactions energy: -579.876
where: short stacking energy: -253.460
Base-Backbone interact. energy: -0.374
local terms energy: -256.799591
where:
bonds (distance) C4'-P energy: -47.252
bonds (distance) P-C4' energy: -53.130
flat angles C4'-P-C4' energy: -54.490
flat angles P-C4'-P energy: -34.085
tors. eta vs tors. theta energy: -67.843
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: 245
Temperature: 1.050000
Total energy: -841.859061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.859061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.859061 (E_RNA)
where:
Base-Base interactions energy: -565.737
where: short stacking energy: -261.690
Base-Backbone interact. energy: -0.583
local terms energy: -275.538724
where:
bonds (distance) C4'-P energy: -49.261
bonds (distance) P-C4' energy: -52.046
flat angles C4'-P-C4' energy: -57.030
flat angles P-C4'-P energy: -39.768
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: 245
Temperature: 1.100000
Total energy: -820.353030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.353030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.353030 (E_RNA)
where:
Base-Base interactions energy: -554.583
where: short stacking energy: -240.795
Base-Backbone interact. energy: 1.656
local terms energy: -267.426765
where:
bonds (distance) C4'-P energy: -44.916
bonds (distance) P-C4' energy: -54.997
flat angles C4'-P-C4' energy: -55.863
flat angles P-C4'-P energy: -38.758
tors. eta vs tors. theta energy: -72.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -778.898203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.898203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.898203 (E_RNA)
where:
Base-Base interactions energy: -548.060
where: short stacking energy: -234.896
Base-Backbone interact. energy: -0.904
local terms energy: -229.933934
where:
bonds (distance) C4'-P energy: -40.686
bonds (distance) P-C4' energy: -43.741
flat angles C4'-P-C4' energy: -45.562
flat angles P-C4'-P energy: -34.245
tors. eta vs tors. theta energy: -65.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -685.758844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.758844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.758844 (E_RNA)
where:
Base-Base interactions energy: -465.817
where: short stacking energy: -206.571
Base-Backbone interact. energy: -1.401
local terms energy: -218.541315
where:
bonds (distance) C4'-P energy: -44.790
bonds (distance) P-C4' energy: -47.504
flat angles C4'-P-C4' energy: -40.553
flat angles P-C4'-P energy: -27.534
tors. eta vs tors. theta energy: -58.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -665.845746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.845746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.845746 (E_RNA)
where:
Base-Base interactions energy: -442.007
where: short stacking energy: -183.910
Base-Backbone interact. energy: 1.040
local terms energy: -224.878443
where:
bonds (distance) C4'-P energy: -40.361
bonds (distance) P-C4' energy: -50.893
flat angles C4'-P-C4' energy: -44.674
flat angles P-C4'-P energy: -33.823
tors. eta vs tors. theta energy: -55.127
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: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -528.863545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.863545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.863545 (E_RNA)
where:
Base-Base interactions energy: -338.106
where: short stacking energy: -139.620
Base-Backbone interact. energy: -0.968
local terms energy: -189.789512
where:
bonds (distance) C4'-P energy: -38.967
bonds (distance) P-C4' energy: -45.806
flat angles C4'-P-C4' energy: -44.509
flat angles P-C4'-P energy: -29.343
tors. eta vs tors. theta energy: -31.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -237.409310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.409310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.409310 (E_RNA)
where:
Base-Base interactions energy: -92.282
where: short stacking energy: -70.851
Base-Backbone interact. energy: 4.058
local terms energy: -149.185971
where:
bonds (distance) C4'-P energy: -40.816
bonds (distance) P-C4' energy: -49.806
flat angles C4'-P-C4' energy: -35.441
flat angles P-C4'-P energy: -25.562
tors. eta vs tors. theta energy: 2.440
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: 3
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -943.840235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.840235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.840235 (E_RNA)
where:
Base-Base interactions energy: -650.683
where: short stacking energy: -286.755
Base-Backbone interact. energy: -0.279
local terms energy: -292.878022
where:
bonds (distance) C4'-P energy: -52.255
bonds (distance) P-C4' energy: -46.713
flat angles C4'-P-C4' energy: -64.327
flat angles P-C4'-P energy: -45.247
tors. eta vs tors. theta energy: -84.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -924.370951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.370951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.370951 (E_RNA)
where:
Base-Base interactions energy: -636.057
where: short stacking energy: -277.829
Base-Backbone interact. energy: -0.971
local terms energy: -287.342952
where:
bonds (distance) C4'-P energy: -45.342
bonds (distance) P-C4' energy: -50.695
flat angles C4'-P-C4' energy: -59.343
flat angles P-C4'-P energy: -45.506
tors. eta vs tors. theta energy: -86.457
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: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -864.831519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.831519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.831519 (E_RNA)
where:
Base-Base interactions energy: -587.551
where: short stacking energy: -265.527
Base-Backbone interact. energy: -0.219
local terms energy: -277.061258
where:
bonds (distance) C4'-P energy: -48.521
bonds (distance) P-C4' energy: -48.178
flat angles C4'-P-C4' energy: -53.394
flat angles P-C4'-P energy: -45.124
tors. eta vs tors. theta energy: -81.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -830.734100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.734100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.734100 (E_RNA)
where:
Base-Base interactions energy: -576.605
where: short stacking energy: -261.223
Base-Backbone interact. energy: -0.709
local terms energy: -253.419925
where:
bonds (distance) C4'-P energy: -40.119
bonds (distance) P-C4' energy: -43.585
flat angles C4'-P-C4' energy: -55.841
flat angles P-C4'-P energy: -35.689
tors. eta vs tors. theta energy: -78.185
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: 246
Temperature: 1.100000
Total energy: -795.777087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.777087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.777087 (E_RNA)
where:
Base-Base interactions energy: -553.064
where: short stacking energy: -238.308
Base-Backbone interact. energy: -0.224
local terms energy: -242.488980
where:
bonds (distance) C4'-P energy: -55.619
bonds (distance) P-C4' energy: -40.236
flat angles C4'-P-C4' energy: -53.021
flat angles P-C4'-P energy: -31.410
tors. eta vs tors. theta energy: -62.202
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: 246
Temperature: 1.150000
Total energy: -784.908029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.908029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.908029 (E_RNA)
where:
Base-Base interactions energy: -533.444
where: short stacking energy: -231.549
Base-Backbone interact. energy: -0.694
local terms energy: -250.769910
where:
bonds (distance) C4'-P energy: -51.561
bonds (distance) P-C4' energy: -40.974
flat angles C4'-P-C4' energy: -58.046
flat angles P-C4'-P energy: -36.098
tors. eta vs tors. theta energy: -64.090
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: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -725.273953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.273953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.273953 (E_RNA)
where:
Base-Base interactions energy: -498.228
where: short stacking energy: -211.686
Base-Backbone interact. energy: -1.800
local terms energy: -225.245735
where:
bonds (distance) C4'-P energy: -42.974
bonds (distance) P-C4' energy: -40.132
flat angles C4'-P-C4' energy: -49.416
flat angles P-C4'-P energy: -28.302
tors. eta vs tors. theta energy: -64.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -659.728948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.728948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.728948 (E_RNA)
where:
Base-Base interactions energy: -414.992
where: short stacking energy: -190.711
Base-Backbone interact. energy: -0.221
local terms energy: -244.515893
where:
bonds (distance) C4'-P energy: -50.936
bonds (distance) P-C4' energy: -50.037
flat angles C4'-P-C4' energy: -60.086
flat angles P-C4'-P energy: -28.373
tors. eta vs tors. theta energy: -55.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -568.430518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.430518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.430518 (E_RNA)
where:
Base-Base interactions energy: -372.881
where: short stacking energy: -153.680
Base-Backbone interact. energy: -0.789
local terms energy: -194.760190
where:
bonds (distance) C4'-P energy: -44.219
bonds (distance) P-C4' energy: -42.551
flat angles C4'-P-C4' energy: -49.780
flat angles P-C4'-P energy: -22.136
tors. eta vs tors. theta energy: -36.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -235.724900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.724900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.724900 (E_RNA)
where:
Base-Base interactions energy: -85.723
where: short stacking energy: -68.471
Base-Backbone interact. energy: -0.337
local terms energy: -149.665008
where:
bonds (distance) C4'-P energy: -43.616
bonds (distance) P-C4' energy: -49.484
flat angles C4'-P-C4' energy: -32.127
flat angles P-C4'-P energy: -30.510
tors. eta vs tors. theta energy: 6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -967.379135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.379135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.379135 (E_RNA)
where:
Base-Base interactions energy: -659.762
where: short stacking energy: -287.104
Base-Backbone interact. energy: -1.130
local terms energy: -306.487350
where:
bonds (distance) C4'-P energy: -48.251
bonds (distance) P-C4' energy: -58.228
flat angles C4'-P-C4' energy: -64.070
flat angles P-C4'-P energy: -46.102
tors. eta vs tors. theta energy: -89.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -928.406967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.406967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.406967 (E_RNA)
where:
Base-Base interactions energy: -643.262
where: short stacking energy: -281.572
Base-Backbone interact. energy: -0.866
local terms energy: -284.279258
where:
bonds (distance) C4'-P energy: -48.318
bonds (distance) P-C4' energy: -47.316
flat angles C4'-P-C4' energy: -57.178
flat angles P-C4'-P energy: -44.510
tors. eta vs tors. theta energy: -86.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -858.026347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.026347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.026347 (E_RNA)
where:
Base-Base interactions energy: -594.639
where: short stacking energy: -257.772
Base-Backbone interact. energy: 0.319
local terms energy: -263.706494
where:
bonds (distance) C4'-P energy: -45.648
bonds (distance) P-C4' energy: -43.242
flat angles C4'-P-C4' energy: -60.032
flat angles P-C4'-P energy: -44.694
tors. eta vs tors. theta energy: -70.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -858.593470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.593470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.593470 (E_RNA)
where:
Base-Base interactions energy: -600.480
where: short stacking energy: -268.297
Base-Backbone interact. energy: -0.631
local terms energy: -257.481980
where:
bonds (distance) C4'-P energy: -47.873
bonds (distance) P-C4' energy: -52.960
flat angles C4'-P-C4' energy: -47.732
flat angles P-C4'-P energy: -37.070
tors. eta vs tors. theta energy: -71.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -782.984363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.984363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.984363 (E_RNA)
where:
Base-Base interactions energy: -544.874
where: short stacking energy: -232.512
Base-Backbone interact. energy: -0.431
local terms energy: -237.679239
where:
bonds (distance) C4'-P energy: -46.221
bonds (distance) P-C4' energy: -46.094
flat angles C4'-P-C4' energy: -54.133
flat angles P-C4'-P energy: -28.949
tors. eta vs tors. theta energy: -62.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -782.654423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.654423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.654423 (E_RNA)
where:
Base-Base interactions energy: -535.417
where: short stacking energy: -227.916
Base-Backbone interact. energy: -1.898
local terms energy: -245.339726
where:
bonds (distance) C4'-P energy: -47.478
bonds (distance) P-C4' energy: -40.369
flat angles C4'-P-C4' energy: -50.408
flat angles P-C4'-P energy: -35.841
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: 7, replica: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -703.210313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.210313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.210313 (E_RNA)
where:
Base-Base interactions energy: -488.027
where: short stacking energy: -192.070
Base-Backbone interact. energy: -0.586
local terms energy: -214.597285
where:
bonds (distance) C4'-P energy: -43.657
bonds (distance) P-C4' energy: -42.101
flat angles C4'-P-C4' energy: -49.220
flat angles P-C4'-P energy: -32.909
tors. eta vs tors. theta energy: -46.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -671.491397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.491397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.491397 (E_RNA)
where:
Base-Base interactions energy: -443.630
where: short stacking energy: -191.109
Base-Backbone interact. energy: 2.544
local terms energy: -230.405530
where:
bonds (distance) C4'-P energy: -42.772
bonds (distance) P-C4' energy: -52.083
flat angles C4'-P-C4' energy: -51.180
flat angles P-C4'-P energy: -34.149
tors. eta vs tors. theta energy: -50.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -578.786316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.786316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.786316 (E_RNA)
where:
Base-Base interactions energy: -391.522
where: short stacking energy: -166.150
Base-Backbone interact. energy: -0.214
local terms energy: -187.050284
where:
bonds (distance) C4'-P energy: -37.900
bonds (distance) P-C4' energy: -46.693
flat angles C4'-P-C4' energy: -34.102
flat angles P-C4'-P energy: -34.663
tors. eta vs tors. theta energy: -33.693
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: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -228.287168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.287168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.287168 (E_RNA)
where:
Base-Base interactions energy: -72.773
where: short stacking energy: -68.620
Base-Backbone interact. energy: 0.501
local terms energy: -156.015348
where:
bonds (distance) C4'-P energy: -43.573
bonds (distance) P-C4' energy: -40.317
flat angles C4'-P-C4' energy: -38.880
flat angles P-C4'-P energy: -23.340
tors. eta vs tors. theta energy: -9.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -951.279436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.279436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.279436 (E_RNA)
where:
Base-Base interactions energy: -661.062
where: short stacking energy: -271.627
Base-Backbone interact. energy: -0.015
local terms energy: -290.202202
where:
bonds (distance) C4'-P energy: -50.903
bonds (distance) P-C4' energy: -54.361
flat angles C4'-P-C4' energy: -57.432
flat angles P-C4'-P energy: -42.812
tors. eta vs tors. theta energy: -84.694
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: 248
Temperature: 0.950000
Total energy: -935.990253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.990253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.990253 (E_RNA)
where:
Base-Base interactions energy: -655.255
where: short stacking energy: -299.570
Base-Backbone interact. energy: 1.107
local terms energy: -281.841940
where:
bonds (distance) C4'-P energy: -46.925
bonds (distance) P-C4' energy: -52.781
flat angles C4'-P-C4' energy: -59.085
flat angles P-C4'-P energy: -36.319
tors. eta vs tors. theta energy: -86.731
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: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -858.180582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.180582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.180582 (E_RNA)
where:
Base-Base interactions energy: -579.762
where: short stacking energy: -249.507
Base-Backbone interact. energy: -1.033
local terms energy: -277.385510
where:
bonds (distance) C4'-P energy: -55.422
bonds (distance) P-C4' energy: -52.233
flat angles C4'-P-C4' energy: -56.069
flat angles P-C4'-P energy: -37.728
tors. eta vs tors. theta energy: -75.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -858.332134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.332134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.332134 (E_RNA)
where:
Base-Base interactions energy: -575.964
where: short stacking energy: -271.132
Base-Backbone interact. energy: -0.088
local terms energy: -282.280889
where:
bonds (distance) C4'-P energy: -45.715
bonds (distance) P-C4' energy: -58.224
flat angles C4'-P-C4' energy: -60.169
flat angles P-C4'-P energy: -41.185
tors. eta vs tors. theta energy: -76.988
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: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -787.596877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.596877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.596877 (E_RNA)
where:
Base-Base interactions energy: -535.003
where: short stacking energy: -226.404
Base-Backbone interact. energy: -1.580
local terms energy: -251.013202
where:
bonds (distance) C4'-P energy: -57.555
bonds (distance) P-C4' energy: -47.478
flat angles C4'-P-C4' energy: -49.038
flat angles P-C4'-P energy: -31.698
tors. eta vs tors. theta energy: -65.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -757.864728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.864728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.864728 (E_RNA)
where:
Base-Base interactions energy: -508.841
where: short stacking energy: -220.884
Base-Backbone interact. energy: -0.744
local terms energy: -248.279375
where:
bonds (distance) C4'-P energy: -44.298
bonds (distance) P-C4' energy: -47.684
flat angles C4'-P-C4' energy: -55.764
flat angles P-C4'-P energy: -37.434
tors. eta vs tors. theta energy: -63.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -731.853734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.853734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.853734 (E_RNA)
where:
Base-Base interactions energy: -490.287
where: short stacking energy: -209.348
Base-Backbone interact. energy: -0.442
local terms energy: -241.124903
where:
bonds (distance) C4'-P energy: -47.107
bonds (distance) P-C4' energy: -51.803
flat angles C4'-P-C4' energy: -49.061
flat angles P-C4'-P energy: -38.137
tors. eta vs tors. theta energy: -55.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -648.521569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.521569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.521569 (E_RNA)
where:
Base-Base interactions energy: -425.928
where: short stacking energy: -188.872
Base-Backbone interact. energy: 3.131
local terms energy: -225.725009
where:
bonds (distance) C4'-P energy: -47.159
bonds (distance) P-C4' energy: -45.765
flat angles C4'-P-C4' energy: -46.891
flat angles P-C4'-P energy: -37.734
tors. eta vs tors. theta energy: -48.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -522.181620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.181620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.181620 (E_RNA)
where:
Base-Base interactions energy: -324.842
where: short stacking energy: -145.528
Base-Backbone interact. energy: -0.205
local terms energy: -197.134629
where:
bonds (distance) C4'-P energy: -40.423
bonds (distance) P-C4' energy: -47.167
flat angles C4'-P-C4' energy: -52.513
flat angles P-C4'-P energy: -31.357
tors. eta vs tors. theta energy: -25.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -207.234423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.234423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.234423 (E_RNA)
where:
Base-Base interactions energy: -84.314
where: short stacking energy: -42.872
Base-Backbone interact. energy: 1.192
local terms energy: -124.112405
where:
bonds (distance) C4'-P energy: -37.406
bonds (distance) P-C4' energy: -40.980
flat angles C4'-P-C4' energy: -28.637
flat angles P-C4'-P energy: -20.735
tors. eta vs tors. theta energy: 3.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -952.290429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.290429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.290429 (E_RNA)
where:
Base-Base interactions energy: -659.135
where: short stacking energy: -287.382
Base-Backbone interact. energy: -0.776
local terms energy: -292.379477
where:
bonds (distance) C4'-P energy: -53.194
bonds (distance) P-C4' energy: -47.516
flat angles C4'-P-C4' energy: -61.317
flat angles P-C4'-P energy: -41.256
tors. eta vs tors. theta energy: -89.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -941.288502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.288502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.288502 (E_RNA)
where:
Base-Base interactions energy: -644.882
where: short stacking energy: -284.789
Base-Backbone interact. energy: -0.376
local terms energy: -296.030700
where:
bonds (distance) C4'-P energy: -55.358
bonds (distance) P-C4' energy: -51.653
flat angles C4'-P-C4' energy: -56.554
flat angles P-C4'-P energy: -41.868
tors. eta vs tors. theta energy: -90.597
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: 249
Temperature: 1.000000
Total energy: -865.068673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.068673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.068673 (E_RNA)
where:
Base-Base interactions energy: -595.429
where: short stacking energy: -261.989
Base-Backbone interact. energy: 1.923
local terms energy: -271.562461
where:
bonds (distance) C4'-P energy: -48.925
bonds (distance) P-C4' energy: -48.742
flat angles C4'-P-C4' energy: -59.473
flat angles P-C4'-P energy: -40.121
tors. eta vs tors. theta energy: -74.302
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: 249
Temperature: 1.050000
Total energy: -860.381233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.381233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.381233 (E_RNA)
where:
Base-Base interactions energy: -583.801
where: short stacking energy: -259.718
Base-Backbone interact. energy: 0.615
local terms energy: -277.196106
where:
bonds (distance) C4'-P energy: -42.207
bonds (distance) P-C4' energy: -50.512
flat angles C4'-P-C4' energy: -63.567
flat angles P-C4'-P energy: -44.301
tors. eta vs tors. theta energy: -76.609
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: 249
Temperature: 1.100000
Total energy: -779.686390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.686390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.686390 (E_RNA)
where:
Base-Base interactions energy: -518.779
where: short stacking energy: -219.470
Base-Backbone interact. energy: -0.763
local terms energy: -260.144951
where:
bonds (distance) C4'-P energy: -47.606
bonds (distance) P-C4' energy: -47.646
flat angles C4'-P-C4' energy: -52.543
flat angles P-C4'-P energy: -40.161
tors. eta vs tors. theta energy: -72.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -764.165457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.165457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.165457 (E_RNA)
where:
Base-Base interactions energy: -523.459
where: short stacking energy: -219.892
Base-Backbone interact. energy: -1.310
local terms energy: -239.396417
where:
bonds (distance) C4'-P energy: -47.569
bonds (distance) P-C4' energy: -46.377
flat angles C4'-P-C4' energy: -57.525
flat angles P-C4'-P energy: -39.362
tors. eta vs tors. theta energy: -48.563
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: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -709.725814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.725814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.725814 (E_RNA)
where:
Base-Base interactions energy: -480.660
where: short stacking energy: -220.420
Base-Backbone interact. energy: -1.379
local terms energy: -227.686642
where:
bonds (distance) C4'-P energy: -40.458
bonds (distance) P-C4' energy: -50.181
flat angles C4'-P-C4' energy: -47.894
flat angles P-C4'-P energy: -32.885
tors. eta vs tors. theta energy: -56.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -637.191119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.191119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.191119 (E_RNA)
where:
Base-Base interactions energy: -419.095
where: short stacking energy: -185.820
Base-Backbone interact. energy: -0.356
local terms energy: -217.739653
where:
bonds (distance) C4'-P energy: -40.522
bonds (distance) P-C4' energy: -44.854
flat angles C4'-P-C4' energy: -50.721
flat angles P-C4'-P energy: -33.634
tors. eta vs tors. theta energy: -48.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -499.609175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.609175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.609175 (E_RNA)
where:
Base-Base interactions energy: -315.322
where: short stacking energy: -145.285
Base-Backbone interact. energy: -1.756
local terms energy: -182.531266
where:
bonds (distance) C4'-P energy: -39.468
bonds (distance) P-C4' energy: -36.294
flat angles C4'-P-C4' energy: -39.800
flat angles P-C4'-P energy: -40.198
tors. eta vs tors. theta energy: -26.771
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: 249
Temperature: 1.350000
Total energy: -219.858868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.858868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.858868 (E_RNA)
where:
Base-Base interactions energy: -66.706
where: short stacking energy: -62.808
Base-Backbone interact. energy: 0.355
local terms energy: -153.508179
where:
bonds (distance) C4'-P energy: -42.996
bonds (distance) P-C4' energy: -48.741
flat angles C4'-P-C4' energy: -38.277
flat angles P-C4'-P energy: -22.386
tors. eta vs tors. theta energy: -1.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -959.145856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.145856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.145856 (E_RNA)
where:
Base-Base interactions energy: -664.097
where: short stacking energy: -293.415
Base-Backbone interact. energy: -1.038
local terms energy: -294.010477
where:
bonds (distance) C4'-P energy: -54.707
bonds (distance) P-C4' energy: -57.362
flat angles C4'-P-C4' energy: -60.651
flat angles P-C4'-P energy: -36.780
tors. eta vs tors. theta energy: -84.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -931.626750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.626750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.626750 (E_RNA)
where:
Base-Base interactions energy: -636.063
where: short stacking energy: -283.141
Base-Backbone interact. energy: 0.713
local terms energy: -296.276770
where:
bonds (distance) C4'-P energy: -53.345
bonds (distance) P-C4' energy: -58.659
flat angles C4'-P-C4' energy: -53.109
flat angles P-C4'-P energy: -42.183
tors. eta vs tors. theta energy: -88.979
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: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -858.007845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.007845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.007845 (E_RNA)
where:
Base-Base interactions energy: -587.285
where: short stacking energy: -274.095
Base-Backbone interact. energy: -0.253
local terms energy: -270.469497
where:
bonds (distance) C4'-P energy: -47.516
bonds (distance) P-C4' energy: -50.597
flat angles C4'-P-C4' energy: -63.478
flat angles P-C4'-P energy: -29.582
tors. eta vs tors. theta energy: -79.297
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: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -851.309693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.309693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.309693 (E_RNA)
where:
Base-Base interactions energy: -579.565
where: short stacking energy: -239.443
Base-Backbone interact. energy: -1.206
local terms energy: -270.538046
where:
bonds (distance) C4'-P energy: -48.577
bonds (distance) P-C4' energy: -51.801
flat angles C4'-P-C4' energy: -58.879
flat angles P-C4'-P energy: -34.366
tors. eta vs tors. theta energy: -76.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -775.244219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.244219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.244219 (E_RNA)
where:
Base-Base interactions energy: -528.564
where: short stacking energy: -234.789
Base-Backbone interact. energy: -1.687
local terms energy: -244.993422
where:
bonds (distance) C4'-P energy: -41.765
bonds (distance) P-C4' energy: -55.153
flat angles C4'-P-C4' energy: -45.243
flat angles P-C4'-P energy: -40.646
tors. eta vs tors. theta energy: -62.186
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: 6, replica: 6
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -741.537867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.537867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.537867 (E_RNA)
where:
Base-Base interactions energy: -516.661
where: short stacking energy: -222.692
Base-Backbone interact. energy: -0.160
local terms energy: -224.716990
where:
bonds (distance) C4'-P energy: -44.674
bonds (distance) P-C4' energy: -36.921
flat angles C4'-P-C4' energy: -51.944
flat angles P-C4'-P energy: -29.937
tors. eta vs tors. theta energy: -61.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -714.920782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.920782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.920782 (E_RNA)
where:
Base-Base interactions energy: -485.292
where: short stacking energy: -195.186
Base-Backbone interact. energy: -0.434
local terms energy: -229.195538
where:
bonds (distance) C4'-P energy: -48.243
bonds (distance) P-C4' energy: -43.024
flat angles C4'-P-C4' energy: -47.386
flat angles P-C4'-P energy: -39.596
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: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -621.785878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.785878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.785878 (E_RNA)
where:
Base-Base interactions energy: -407.913
where: short stacking energy: -176.369
Base-Backbone interact. energy: -1.088
local terms energy: -212.784564
where:
bonds (distance) C4'-P energy: -41.171
bonds (distance) P-C4' energy: -42.881
flat angles C4'-P-C4' energy: -53.847
flat angles P-C4'-P energy: -31.430
tors. eta vs tors. theta energy: -43.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -571.358605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.358605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.358605 (E_RNA)
where:
Base-Base interactions energy: -395.634
where: short stacking energy: -173.908
Base-Backbone interact. energy: -1.482
local terms energy: -174.243322
where:
bonds (distance) C4'-P energy: -28.370
bonds (distance) P-C4' energy: -40.506
flat angles C4'-P-C4' energy: -45.868
flat angles P-C4'-P energy: -26.865
tors. eta vs tors. theta energy: -32.635
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: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -234.822919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.822919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.822919 (E_RNA)
where:
Base-Base interactions energy: -82.863
where: short stacking energy: -75.063
Base-Backbone interact. energy: 0.610
local terms energy: -152.570432
where:
bonds (distance) C4'-P energy: -39.954
bonds (distance) P-C4' energy: -49.139
flat angles C4'-P-C4' energy: -43.493
flat angles P-C4'-P energy: -22.523
tors. eta vs tors. theta energy: 2.539
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: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -962.423316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.423316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.423316 (E_RNA)
where:
Base-Base interactions energy: -673.280
where: short stacking energy: -287.101
Base-Backbone interact. energy: -0.908
local terms energy: -288.235312
where:
bonds (distance) C4'-P energy: -56.024
bonds (distance) P-C4' energy: -53.359
flat angles C4'-P-C4' energy: -59.459
flat angles P-C4'-P energy: -36.822
tors. eta vs tors. theta energy: -82.572
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: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -929.959480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.959480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.959480 (E_RNA)
where:
Base-Base interactions energy: -643.336
where: short stacking energy: -277.672
Base-Backbone interact. energy: -0.973
local terms energy: -285.649782
where:
bonds (distance) C4'-P energy: -48.957
bonds (distance) P-C4' energy: -52.672
flat angles C4'-P-C4' energy: -52.151
flat angles P-C4'-P energy: -45.228
tors. eta vs tors. theta energy: -86.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -857.170569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.170569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.170569 (E_RNA)
where:
Base-Base interactions energy: -582.643
where: short stacking energy: -252.480
Base-Backbone interact. energy: -1.727
local terms energy: -272.800026
where:
bonds (distance) C4'-P energy: -57.981
bonds (distance) P-C4' energy: -45.142
flat angles C4'-P-C4' energy: -52.974
flat angles P-C4'-P energy: -43.937
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: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -866.492091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.492091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.492091 (E_RNA)
where:
Base-Base interactions energy: -586.179
where: short stacking energy: -246.469
Base-Backbone interact. energy: 1.106
local terms energy: -281.419696
where:
bonds (distance) C4'-P energy: -50.557
bonds (distance) P-C4' energy: -58.770
flat angles C4'-P-C4' energy: -57.708
flat angles P-C4'-P energy: -41.642
tors. eta vs tors. theta energy: -72.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -780.798387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.798387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.798387 (E_RNA)
where:
Base-Base interactions energy: -527.420
where: short stacking energy: -225.763
Base-Backbone interact. energy: -0.264
local terms energy: -253.114297
where:
bonds (distance) C4'-P energy: -36.123
bonds (distance) P-C4' energy: -48.621
flat angles C4'-P-C4' energy: -56.644
flat angles P-C4'-P energy: -39.064
tors. eta vs tors. theta energy: -72.662
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: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -754.676449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.676449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.676449 (E_RNA)
where:
Base-Base interactions energy: -525.711
where: short stacking energy: -208.697
Base-Backbone interact. energy: -0.985
local terms energy: -227.980155
where:
bonds (distance) C4'-P energy: -45.369
bonds (distance) P-C4' energy: -47.457
flat angles C4'-P-C4' energy: -52.055
flat angles P-C4'-P energy: -31.187
tors. eta vs tors. theta energy: -51.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -735.457208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.457208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.457208 (E_RNA)
where:
Base-Base interactions energy: -525.604
where: short stacking energy: -219.916
Base-Backbone interact. energy: -0.559
local terms energy: -209.294452
where:
bonds (distance) C4'-P energy: -36.072
bonds (distance) P-C4' energy: -35.405
flat angles C4'-P-C4' energy: -48.934
flat angles P-C4'-P energy: -30.737
tors. eta vs tors. theta energy: -58.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -612.127654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.127654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.127654 (E_RNA)
where:
Base-Base interactions energy: -398.485
where: short stacking energy: -174.328
Base-Backbone interact. energy: -0.025
local terms energy: -213.618151
where:
bonds (distance) C4'-P energy: -46.223
bonds (distance) P-C4' energy: -53.269
flat angles C4'-P-C4' energy: -40.535
flat angles P-C4'-P energy: -40.876
tors. eta vs tors. theta energy: -32.715
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: 9, replica: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -597.823349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.823349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.823349 (E_RNA)
where:
Base-Base interactions energy: -377.166
where: short stacking energy: -179.442
Base-Backbone interact. energy: 2.247
local terms energy: -222.904104
where:
bonds (distance) C4'-P energy: -51.942
bonds (distance) P-C4' energy: -48.659
flat angles C4'-P-C4' energy: -54.825
flat angles P-C4'-P energy: -19.815
tors. eta vs tors. theta energy: -47.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -229.751084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.751084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.751084 (E_RNA)
where:
Base-Base interactions energy: -71.168
where: short stacking energy: -68.467
Base-Backbone interact. energy: 0.139
local terms energy: -158.721141
where:
bonds (distance) C4'-P energy: -53.028
bonds (distance) P-C4' energy: -42.495
flat angles C4'-P-C4' energy: -30.813
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: -8.602
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: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -943.600070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.600070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.600070 (E_RNA)
where:
Base-Base interactions energy: -649.727
where: short stacking energy: -286.945
Base-Backbone interact. energy: -1.765
local terms energy: -292.107805
where:
bonds (distance) C4'-P energy: -50.631
bonds (distance) P-C4' energy: -58.470
flat angles C4'-P-C4' energy: -59.622
flat angles P-C4'-P energy: -41.953
tors. eta vs tors. theta energy: -81.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -955.200542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.200542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.200542 (E_RNA)
where:
Base-Base interactions energy: -661.721
where: short stacking energy: -285.358
Base-Backbone interact. energy: -0.901
local terms energy: -292.578522
where:
bonds (distance) C4'-P energy: -43.290
bonds (distance) P-C4' energy: -58.828
flat angles C4'-P-C4' energy: -63.673
flat angles P-C4'-P energy: -42.605
tors. eta vs tors. theta energy: -84.183
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: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -858.870151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.870151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.870151 (E_RNA)
where:
Base-Base interactions energy: -582.930
where: short stacking energy: -254.099
Base-Backbone interact. energy: -0.654
local terms energy: -275.286174
where:
bonds (distance) C4'-P energy: -58.496
bonds (distance) P-C4' energy: -49.880
flat angles C4'-P-C4' energy: -55.707
flat angles P-C4'-P energy: -37.905
tors. eta vs tors. theta energy: -73.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -886.825754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.825754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.825754 (E_RNA)
where:
Base-Base interactions energy: -616.484
where: short stacking energy: -274.378
Base-Backbone interact. energy: -0.557
local terms energy: -269.784433
where:
bonds (distance) C4'-P energy: -48.295
bonds (distance) P-C4' energy: -43.480
flat angles C4'-P-C4' energy: -61.027
flat angles P-C4'-P energy: -39.952
tors. eta vs tors. theta energy: -77.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -781.289911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.289911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.289911 (E_RNA)
where:
Base-Base interactions energy: -544.771
where: short stacking energy: -220.019
Base-Backbone interact. energy: 1.486
local terms energy: -238.005434
where:
bonds (distance) C4'-P energy: -45.748
bonds (distance) P-C4' energy: -41.663
flat angles C4'-P-C4' energy: -53.134
flat angles P-C4'-P energy: -35.641
tors. eta vs tors. theta energy: -61.819
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: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -779.161718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.161718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.161718 (E_RNA)
where:
Base-Base interactions energy: -532.785
where: short stacking energy: -240.702
Base-Backbone interact. energy: -0.231
local terms energy: -246.146436
where:
bonds (distance) C4'-P energy: -39.819
bonds (distance) P-C4' energy: -52.453
flat angles C4'-P-C4' energy: -56.487
flat angles P-C4'-P energy: -31.121
tors. eta vs tors. theta energy: -66.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -736.085052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.085052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.085052 (E_RNA)
where:
Base-Base interactions energy: -503.009
where: short stacking energy: -217.875
Base-Backbone interact. energy: -0.100
local terms energy: -232.975916
where:
bonds (distance) C4'-P energy: -43.859
bonds (distance) P-C4' energy: -47.228
flat angles C4'-P-C4' energy: -46.657
flat angles P-C4'-P energy: -38.820
tors. eta vs tors. theta energy: -56.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -648.031395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.031395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.031395 (E_RNA)
where:
Base-Base interactions energy: -445.323
where: short stacking energy: -195.948
Base-Backbone interact. energy: -0.614
local terms energy: -202.094759
where:
bonds (distance) C4'-P energy: -38.710
bonds (distance) P-C4' energy: -44.273
flat angles C4'-P-C4' energy: -45.392
flat angles P-C4'-P energy: -25.502
tors. eta vs tors. theta energy: -48.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -526.651516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.651516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.651516 (E_RNA)
where:
Base-Base interactions energy: -318.750
where: short stacking energy: -155.137
Base-Backbone interact. energy: -1.672
local terms energy: -206.228741
where:
bonds (distance) C4'-P energy: -44.773
bonds (distance) P-C4' energy: -45.353
flat angles C4'-P-C4' energy: -50.487
flat angles P-C4'-P energy: -28.848
tors. eta vs tors. theta energy: -36.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -246.370236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.370236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.370236 (E_RNA)
where:
Base-Base interactions energy: -89.766
where: short stacking energy: -73.760
Base-Backbone interact. energy: 0.685
local terms energy: -157.289374
where:
bonds (distance) C4'-P energy: -43.240
bonds (distance) P-C4' energy: -48.910
flat angles C4'-P-C4' energy: -45.873
flat angles P-C4'-P energy: -19.729
tors. eta vs tors. theta energy: 0.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -942.709009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.709009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.709009 (E_RNA)
where:
Base-Base interactions energy: -658.049
where: short stacking energy: -281.126
Base-Backbone interact. energy: -0.636
local terms energy: -284.023715
where:
bonds (distance) C4'-P energy: -52.157
bonds (distance) P-C4' energy: -48.659
flat angles C4'-P-C4' energy: -54.561
flat angles P-C4'-P energy: -41.251
tors. eta vs tors. theta energy: -87.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -941.371964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.371964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.371964 (E_RNA)
where:
Base-Base interactions energy: -637.285
where: short stacking energy: -269.722
Base-Backbone interact. energy: -0.446
local terms energy: -303.640593
where:
bonds (distance) C4'-P energy: -54.017
bonds (distance) P-C4' energy: -54.814
flat angles C4'-P-C4' energy: -62.370
flat angles P-C4'-P energy: -43.451
tors. eta vs tors. theta energy: -88.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -880.211311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.211311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.211311 (E_RNA)
where:
Base-Base interactions energy: -616.048
where: short stacking energy: -281.274
Base-Backbone interact. energy: -0.001
local terms energy: -264.162847
where:
bonds (distance) C4'-P energy: -36.824
bonds (distance) P-C4' energy: -46.861
flat angles C4'-P-C4' energy: -66.376
flat angles P-C4'-P energy: -36.789
tors. eta vs tors. theta energy: -77.313
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: 253
Temperature: 1.050000
Total energy: -834.611869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.611869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.611869 (E_RNA)
where:
Base-Base interactions energy: -561.551
where: short stacking energy: -237.050
Base-Backbone interact. energy: -0.363
local terms energy: -272.697260
where:
bonds (distance) C4'-P energy: -51.523
bonds (distance) P-C4' energy: -50.334
flat angles C4'-P-C4' energy: -59.826
flat angles P-C4'-P energy: -41.225
tors. eta vs tors. theta energy: -69.789
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: 9
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -788.182986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.182986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.182986 (E_RNA)
where:
Base-Base interactions energy: -538.754
where: short stacking energy: -240.990
Base-Backbone interact. energy: 1.430
local terms energy: -250.858813
where:
bonds (distance) C4'-P energy: -49.064
bonds (distance) P-C4' energy: -48.321
flat angles C4'-P-C4' energy: -53.654
flat angles P-C4'-P energy: -38.845
tors. eta vs tors. theta energy: -60.975
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: 253
Temperature: 1.150000
Total energy: -790.506032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.506032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.506032 (E_RNA)
where:
Base-Base interactions energy: -549.548
where: short stacking energy: -228.767
Base-Backbone interact. energy: -1.482
local terms energy: -239.476229
where:
bonds (distance) C4'-P energy: -48.075
bonds (distance) P-C4' energy: -46.827
flat angles C4'-P-C4' energy: -48.875
flat angles P-C4'-P energy: -33.525
tors. eta vs tors. theta energy: -62.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -746.633443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.633443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.633443 (E_RNA)
where:
Base-Base interactions energy: -524.988
where: short stacking energy: -207.997
Base-Backbone interact. energy: 0.993
local terms energy: -222.637916
where:
bonds (distance) C4'-P energy: -37.242
bonds (distance) P-C4' energy: -38.717
flat angles C4'-P-C4' energy: -49.164
flat angles P-C4'-P energy: -35.656
tors. eta vs tors. theta energy: -61.859
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: 253
Temperature: 1.250000
Total energy: -649.412447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.412447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.412447 (E_RNA)
where:
Base-Base interactions energy: -437.315
where: short stacking energy: -192.788
Base-Backbone interact. energy: -0.073
local terms energy: -212.024475
where:
bonds (distance) C4'-P energy: -37.210
bonds (distance) P-C4' energy: -39.825
flat angles C4'-P-C4' energy: -45.596
flat angles P-C4'-P energy: -35.531
tors. eta vs tors. theta energy: -53.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -516.520823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.520823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.520823 (E_RNA)
where:
Base-Base interactions energy: -326.406
where: short stacking energy: -153.564
Base-Backbone interact. energy: -0.118
local terms energy: -189.996820
where:
bonds (distance) C4'-P energy: -46.794
bonds (distance) P-C4' energy: -41.043
flat angles C4'-P-C4' energy: -42.092
flat angles P-C4'-P energy: -21.854
tors. eta vs tors. theta energy: -38.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -250.824596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.824596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.824596 (E_RNA)
where:
Base-Base interactions energy: -108.197
where: short stacking energy: -75.894
Base-Backbone interact. energy: -1.639
local terms energy: -140.988401
where:
bonds (distance) C4'-P energy: -39.774
bonds (distance) P-C4' energy: -56.118
flat angles C4'-P-C4' energy: -25.551
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: -4.104
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: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -970.249843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.249843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.249843 (E_RNA)
where:
Base-Base interactions energy: -668.985
where: short stacking energy: -298.055
Base-Backbone interact. energy: -0.786
local terms energy: -300.478961
where:
bonds (distance) C4'-P energy: -53.280
bonds (distance) P-C4' energy: -53.015
flat angles C4'-P-C4' energy: -65.095
flat angles P-C4'-P energy: -38.004
tors. eta vs tors. theta energy: -91.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -929.729184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.729184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.729184 (E_RNA)
where:
Base-Base interactions energy: -644.433
where: short stacking energy: -290.078
Base-Backbone interact. energy: -1.290
local terms energy: -284.006524
where:
bonds (distance) C4'-P energy: -45.299
bonds (distance) P-C4' energy: -50.792
flat angles C4'-P-C4' energy: -64.956
flat angles P-C4'-P energy: -39.084
tors. eta vs tors. theta energy: -83.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -857.743762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.743762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.743762 (E_RNA)
where:
Base-Base interactions energy: -595.182
where: short stacking energy: -255.533
Base-Backbone interact. energy: -0.188
local terms energy: -262.374570
where:
bonds (distance) C4'-P energy: -44.514
bonds (distance) P-C4' energy: -50.244
flat angles C4'-P-C4' energy: -54.152
flat angles P-C4'-P energy: -36.697
tors. eta vs tors. theta energy: -76.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -850.704518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.704518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.704518 (E_RNA)
where:
Base-Base interactions energy: -588.552
where: short stacking energy: -252.255
Base-Backbone interact. energy: -0.798
local terms energy: -261.355254
where:
bonds (distance) C4'-P energy: -45.813
bonds (distance) P-C4' energy: -50.014
flat angles C4'-P-C4' energy: -52.070
flat angles P-C4'-P energy: -41.311
tors. eta vs tors. theta energy: -72.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -784.608577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.608577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.608577 (E_RNA)
where:
Base-Base interactions energy: -530.224
where: short stacking energy: -226.248
Base-Backbone interact. energy: -0.291
local terms energy: -254.093344
where:
bonds (distance) C4'-P energy: -46.741
bonds (distance) P-C4' energy: -50.010
flat angles C4'-P-C4' energy: -62.174
flat angles P-C4'-P energy: -35.509
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: 6, replica: 9
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -735.429065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.429065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.429065 (E_RNA)
where:
Base-Base interactions energy: -509.236
where: short stacking energy: -214.870
Base-Backbone interact. energy: -0.295
local terms energy: -225.897888
where:
bonds (distance) C4'-P energy: -46.518
bonds (distance) P-C4' energy: -38.896
flat angles C4'-P-C4' energy: -52.891
flat angles P-C4'-P energy: -34.977
tors. eta vs tors. theta energy: -52.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -748.014188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.014188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.014188 (E_RNA)
where:
Base-Base interactions energy: -510.610
where: short stacking energy: -213.505
Base-Backbone interact. energy: -0.854
local terms energy: -236.549838
where:
bonds (distance) C4'-P energy: -51.041
bonds (distance) P-C4' energy: -39.148
flat angles C4'-P-C4' energy: -53.568
flat angles P-C4'-P energy: -35.409
tors. eta vs tors. theta energy: -57.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -675.330873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.330873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.330873 (E_RNA)
where:
Base-Base interactions energy: -434.551
where: short stacking energy: -187.866
Base-Backbone interact. energy: -0.670
local terms energy: -240.109611
where:
bonds (distance) C4'-P energy: -44.147
bonds (distance) P-C4' energy: -56.171
flat angles C4'-P-C4' energy: -48.186
flat angles P-C4'-P energy: -32.242
tors. eta vs tors. theta energy: -59.364
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: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -528.781561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.781561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.781561 (E_RNA)
where:
Base-Base interactions energy: -333.324
where: short stacking energy: -136.556
Base-Backbone interact. energy: -0.307
local terms energy: -195.150977
where:
bonds (distance) C4'-P energy: -44.252
bonds (distance) P-C4' energy: -46.859
flat angles C4'-P-C4' energy: -46.812
flat angles P-C4'-P energy: -31.125
tors. eta vs tors. theta energy: -26.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -296.493290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.493290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.493290 (E_RNA)
where:
Base-Base interactions energy: -150.962
where: short stacking energy: -69.423
Base-Backbone interact. energy: -0.998
local terms energy: -144.533544
where:
bonds (distance) C4'-P energy: -40.253
bonds (distance) P-C4' energy: -50.464
flat angles C4'-P-C4' energy: -40.645
flat angles P-C4'-P energy: -21.136
tors. eta vs tors. theta energy: 7.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -964.439680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.439680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.439680 (E_RNA)
where:
Base-Base interactions energy: -671.777
where: short stacking energy: -293.109
Base-Backbone interact. energy: -1.545
local terms energy: -291.118201
where:
bonds (distance) C4'-P energy: -47.653
bonds (distance) P-C4' energy: -55.133
flat angles C4'-P-C4' energy: -65.018
flat angles P-C4'-P energy: -36.322
tors. eta vs tors. theta energy: -86.993
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: 3
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -928.964056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.964056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.964056 (E_RNA)
where:
Base-Base interactions energy: -644.311
where: short stacking energy: -279.462
Base-Backbone interact. energy: -0.868
local terms energy: -283.785092
where:
bonds (distance) C4'-P energy: -45.969
bonds (distance) P-C4' energy: -53.914
flat angles C4'-P-C4' energy: -58.739
flat angles P-C4'-P energy: -44.425
tors. eta vs tors. theta energy: -80.737
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: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -862.862304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.862304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.862304 (E_RNA)
where:
Base-Base interactions energy: -590.317
where: short stacking energy: -256.508
Base-Backbone interact. energy: -0.284
local terms energy: -272.261010
where:
bonds (distance) C4'-P energy: -45.886
bonds (distance) P-C4' energy: -49.210
flat angles C4'-P-C4' energy: -60.548
flat angles P-C4'-P energy: -40.116
tors. eta vs tors. theta energy: -76.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -822.648206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.648206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.648206 (E_RNA)
where:
Base-Base interactions energy: -557.841
where: short stacking energy: -243.547
Base-Backbone interact. energy: -0.420
local terms energy: -264.387241
where:
bonds (distance) C4'-P energy: -41.211
bonds (distance) P-C4' energy: -60.829
flat angles C4'-P-C4' energy: -58.483
flat angles P-C4'-P energy: -33.554
tors. eta vs tors. theta energy: -70.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -809.743110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.743110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.743110 (E_RNA)
where:
Base-Base interactions energy: -548.419
where: short stacking energy: -242.795
Base-Backbone interact. energy: -0.200
local terms energy: -261.123918
where:
bonds (distance) C4'-P energy: -52.890
bonds (distance) P-C4' energy: -42.982
flat angles C4'-P-C4' energy: -55.645
flat angles P-C4'-P energy: -37.500
tors. eta vs tors. theta energy: -72.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -729.303560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.303560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.303560 (E_RNA)
where:
Base-Base interactions energy: -498.032
where: short stacking energy: -203.686
Base-Backbone interact. energy: -0.672
local terms energy: -230.600467
where:
bonds (distance) C4'-P energy: -38.656
bonds (distance) P-C4' energy: -50.103
flat angles C4'-P-C4' energy: -52.794
flat angles P-C4'-P energy: -33.343
tors. eta vs tors. theta energy: -55.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -719.377319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.377319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.377319 (E_RNA)
where:
Base-Base interactions energy: -500.879
where: short stacking energy: -200.727
Base-Backbone interact. energy: -0.623
local terms energy: -217.875338
where:
bonds (distance) C4'-P energy: -33.672
bonds (distance) P-C4' energy: -46.080
flat angles C4'-P-C4' energy: -45.887
flat angles P-C4'-P energy: -31.184
tors. eta vs tors. theta energy: -61.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -690.688862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.688862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.688862 (E_RNA)
where:
Base-Base interactions energy: -468.327
where: short stacking energy: -204.366
Base-Backbone interact. energy: -1.456
local terms energy: -220.906240
where:
bonds (distance) C4'-P energy: -36.936
bonds (distance) P-C4' energy: -50.862
flat angles C4'-P-C4' energy: -52.223
flat angles P-C4'-P energy: -26.197
tors. eta vs tors. theta energy: -54.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -531.645619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.645619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.645619 (E_RNA)
where:
Base-Base interactions energy: -335.646
where: short stacking energy: -158.641
Base-Backbone interact. energy: -0.136
local terms energy: -195.863779
where:
bonds (distance) C4'-P energy: -49.692
bonds (distance) P-C4' energy: -49.218
flat angles C4'-P-C4' energy: -40.145
flat angles P-C4'-P energy: -23.452
tors. eta vs tors. theta energy: -33.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -292.845333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.845333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.845333 (E_RNA)
where:
Base-Base interactions energy: -153.357
where: short stacking energy: -97.704
Base-Backbone interact. energy: 0.536
local terms energy: -140.024818
where:
bonds (distance) C4'-P energy: -34.674
bonds (distance) P-C4' energy: -43.371
flat angles C4'-P-C4' energy: -21.894
flat angles P-C4'-P energy: -30.393
tors. eta vs tors. theta energy: -9.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -975.888163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.888163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.888163 (E_RNA)
where:
Base-Base interactions energy: -684.448
where: short stacking energy: -297.305
Base-Backbone interact. energy: -2.018
local terms energy: -289.421709
where:
bonds (distance) C4'-P energy: -57.527
bonds (distance) P-C4' energy: -51.690
flat angles C4'-P-C4' energy: -60.805
flat angles P-C4'-P energy: -36.330
tors. eta vs tors. theta energy: -83.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -942.804526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.804526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.804526 (E_RNA)
where:
Base-Base interactions energy: -638.228
where: short stacking energy: -284.502
Base-Backbone interact. energy: -2.330
local terms energy: -302.246018
where:
bonds (distance) C4'-P energy: -53.782
bonds (distance) P-C4' energy: -53.272
flat angles C4'-P-C4' energy: -64.037
flat angles P-C4'-P energy: -42.367
tors. eta vs tors. theta energy: -88.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -885.770378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.770378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.770378 (E_RNA)
where:
Base-Base interactions energy: -608.491
where: short stacking energy: -281.666
Base-Backbone interact. energy: -0.661
local terms energy: -276.618148
where:
bonds (distance) C4'-P energy: -48.932
bonds (distance) P-C4' energy: -44.699
flat angles C4'-P-C4' energy: -63.059
flat angles P-C4'-P energy: -40.268
tors. eta vs tors. theta energy: -79.661
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: 5
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -830.847409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.847409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.847409 (E_RNA)
where:
Base-Base interactions energy: -562.229
where: short stacking energy: -244.310
Base-Backbone interact. energy: 1.145
local terms energy: -269.763041
where:
bonds (distance) C4'-P energy: -53.653
bonds (distance) P-C4' energy: -48.984
flat angles C4'-P-C4' energy: -57.180
flat angles P-C4'-P energy: -41.609
tors. eta vs tors. theta energy: -68.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -798.833573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.833573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.833573 (E_RNA)
where:
Base-Base interactions energy: -544.309
where: short stacking energy: -244.185
Base-Backbone interact. energy: -0.037
local terms energy: -254.487629
where:
bonds (distance) C4'-P energy: -48.285
bonds (distance) P-C4' energy: -41.528
flat angles C4'-P-C4' energy: -56.980
flat angles P-C4'-P energy: -34.332
tors. eta vs tors. theta energy: -73.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -727.831035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.831035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.831035 (E_RNA)
where:
Base-Base interactions energy: -510.912
where: short stacking energy: -189.428
Base-Backbone interact. energy: -0.218
local terms energy: -216.701044
where:
bonds (distance) C4'-P energy: -43.258
bonds (distance) P-C4' energy: -44.721
flat angles C4'-P-C4' energy: -48.885
flat angles P-C4'-P energy: -31.699
tors. eta vs tors. theta energy: -48.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -716.383836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.383836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.383836 (E_RNA)
where:
Base-Base interactions energy: -478.895
where: short stacking energy: -202.407
Base-Backbone interact. energy: -0.398
local terms energy: -237.090617
where:
bonds (distance) C4'-P energy: -46.630
bonds (distance) P-C4' energy: -51.337
flat angles C4'-P-C4' energy: -52.707
flat angles P-C4'-P energy: -27.483
tors. eta vs tors. theta energy: -58.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -632.697860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.697860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.697860 (E_RNA)
where:
Base-Base interactions energy: -418.447
where: short stacking energy: -192.937
Base-Backbone interact. energy: 3.150
local terms energy: -217.400166
where:
bonds (distance) C4'-P energy: -36.136
bonds (distance) P-C4' energy: -47.272
flat angles C4'-P-C4' energy: -54.322
flat angles P-C4'-P energy: -37.372
tors. eta vs tors. theta energy: -42.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -511.205764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.205764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.205764 (E_RNA)
where:
Base-Base interactions energy: -328.789
where: short stacking energy: -160.018
Base-Backbone interact. energy: 1.862
local terms energy: -184.278606
where:
bonds (distance) C4'-P energy: -39.399
bonds (distance) P-C4' energy: -41.067
flat angles C4'-P-C4' energy: -35.794
flat angles P-C4'-P energy: -27.471
tors. eta vs tors. theta energy: -40.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -267.736598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.736598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.736598 (E_RNA)
where:
Base-Base interactions energy: -139.255
where: short stacking energy: -73.061
Base-Backbone interact. energy: -2.105
local terms energy: -126.377020
where:
bonds (distance) C4'-P energy: -36.913
bonds (distance) P-C4' energy: -48.805
flat angles C4'-P-C4' energy: -34.878
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: 3.756
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: 1, replica: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -948.895747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.895747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.895747 (E_RNA)
where:
Base-Base interactions energy: -655.821
where: short stacking energy: -282.339
Base-Backbone interact. energy: -0.239
local terms energy: -292.835940
where:
bonds (distance) C4'-P energy: -49.716
bonds (distance) P-C4' energy: -56.144
flat angles C4'-P-C4' energy: -56.337
flat angles P-C4'-P energy: -42.552
tors. eta vs tors. theta energy: -88.088
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: 257
Temperature: 0.950000
Total energy: -929.806966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.806966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.806966 (E_RNA)
where:
Base-Base interactions energy: -643.620
where: short stacking energy: -291.011
Base-Backbone interact. energy: -0.825
local terms energy: -285.361968
where:
bonds (distance) C4'-P energy: -46.204
bonds (distance) P-C4' energy: -56.054
flat angles C4'-P-C4' energy: -57.168
flat angles P-C4'-P energy: -39.317
tors. eta vs tors. theta energy: -86.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -870.489524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.489524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.489524 (E_RNA)
where:
Base-Base interactions energy: -603.023
where: short stacking energy: -258.878
Base-Backbone interact. energy: -0.351
local terms energy: -267.115823
where:
bonds (distance) C4'-P energy: -56.718
bonds (distance) P-C4' energy: -48.719
flat angles C4'-P-C4' energy: -53.959
flat angles P-C4'-P energy: -33.785
tors. eta vs tors. theta energy: -73.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -787.319189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.319189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.319189 (E_RNA)
where:
Base-Base interactions energy: -549.135
where: short stacking energy: -228.815
Base-Backbone interact. energy: -1.284
local terms energy: -236.900319
where:
bonds (distance) C4'-P energy: -46.483
bonds (distance) P-C4' energy: -40.830
flat angles C4'-P-C4' energy: -55.802
flat angles P-C4'-P energy: -28.215
tors. eta vs tors. theta energy: -65.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -804.141659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.141659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.141659 (E_RNA)
where:
Base-Base interactions energy: -543.750
where: short stacking energy: -251.259
Base-Backbone interact. energy: -0.916
local terms energy: -259.476445
where:
bonds (distance) C4'-P energy: -45.272
bonds (distance) P-C4' energy: -49.885
flat angles C4'-P-C4' energy: -55.196
flat angles P-C4'-P energy: -37.297
tors. eta vs tors. theta energy: -71.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -737.145848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.145848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.145848 (E_RNA)
where:
Base-Base interactions energy: -503.977
where: short stacking energy: -205.323
Base-Backbone interact. energy: 0.235
local terms energy: -233.404581
where:
bonds (distance) C4'-P energy: -46.941
bonds (distance) P-C4' energy: -41.797
flat angles C4'-P-C4' energy: -53.974
flat angles P-C4'-P energy: -32.110
tors. eta vs tors. theta energy: -58.582
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: 7, replica: 8
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -749.249621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.249621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.249621 (E_RNA)
where:
Base-Base interactions energy: -520.759
where: short stacking energy: -200.238
Base-Backbone interact. energy: -2.075
local terms energy: -226.415436
where:
bonds (distance) C4'-P energy: -48.094
bonds (distance) P-C4' energy: -43.157
flat angles C4'-P-C4' energy: -51.285
flat angles P-C4'-P energy: -29.470
tors. eta vs tors. theta energy: -54.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -599.541463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.541463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.541463 (E_RNA)
where:
Base-Base interactions energy: -384.972
where: short stacking energy: -166.674
Base-Backbone interact. energy: -1.503
local terms energy: -213.066058
where:
bonds (distance) C4'-P energy: -33.639
bonds (distance) P-C4' energy: -41.700
flat angles C4'-P-C4' energy: -55.052
flat angles P-C4'-P energy: -39.151
tors. eta vs tors. theta energy: -43.524
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: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -536.043287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.043287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.043287 (E_RNA)
where:
Base-Base interactions energy: -350.427
where: short stacking energy: -142.523
Base-Backbone interact. energy: -2.017
local terms energy: -183.598950
where:
bonds (distance) C4'-P energy: -45.554
bonds (distance) P-C4' energy: -43.463
flat angles C4'-P-C4' energy: -43.258
flat angles P-C4'-P energy: -21.073
tors. eta vs tors. theta energy: -30.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -221.072961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.072961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.072961 (E_RNA)
where:
Base-Base interactions energy: -74.882
where: short stacking energy: -73.633
Base-Backbone interact. energy: 1.601
local terms energy: -147.792189
where:
bonds (distance) C4'-P energy: -41.686
bonds (distance) P-C4' energy: -44.087
flat angles C4'-P-C4' energy: -40.725
flat angles P-C4'-P energy: -24.822
tors. eta vs tors. theta energy: 3.528
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: 258
Temperature: 0.900000
Total energy: -950.331671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.331671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.331671 (E_RNA)
where:
Base-Base interactions energy: -660.664
where: short stacking energy: -287.549
Base-Backbone interact. energy: 1.019
local terms energy: -290.686996
where:
bonds (distance) C4'-P energy: -53.372
bonds (distance) P-C4' energy: -47.867
flat angles C4'-P-C4' energy: -62.308
flat angles P-C4'-P energy: -41.043
tors. eta vs tors. theta energy: -86.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -928.875123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.875123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.875123 (E_RNA)
where:
Base-Base interactions energy: -642.670
where: short stacking energy: -282.315
Base-Backbone interact. energy: -0.827
local terms energy: -285.378221
where:
bonds (distance) C4'-P energy: -64.064
bonds (distance) P-C4' energy: -39.392
flat angles C4'-P-C4' energy: -56.483
flat angles P-C4'-P energy: -41.152
tors. eta vs tors. theta energy: -84.288
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: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -884.706640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.706640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.706640 (E_RNA)
where:
Base-Base interactions energy: -601.506
where: short stacking energy: -273.905
Base-Backbone interact. energy: -0.787
local terms energy: -282.414401
where:
bonds (distance) C4'-P energy: -56.441
bonds (distance) P-C4' energy: -51.632
flat angles C4'-P-C4' energy: -53.675
flat angles P-C4'-P energy: -44.172
tors. eta vs tors. theta energy: -76.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -794.563539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.563539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.563539 (E_RNA)
where:
Base-Base interactions energy: -546.752
where: short stacking energy: -225.621
Base-Backbone interact. energy: -1.119
local terms energy: -246.692273
where:
bonds (distance) C4'-P energy: -50.517
bonds (distance) P-C4' energy: -45.318
flat angles C4'-P-C4' energy: -59.761
flat angles P-C4'-P energy: -28.295
tors. eta vs tors. theta energy: -62.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -807.019696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.019696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.019696 (E_RNA)
where:
Base-Base interactions energy: -563.046
where: short stacking energy: -258.885
Base-Backbone interact. energy: 1.017
local terms energy: -244.991030
where:
bonds (distance) C4'-P energy: -41.782
bonds (distance) P-C4' energy: -44.773
flat angles C4'-P-C4' energy: -49.844
flat angles P-C4'-P energy: -32.083
tors. eta vs tors. theta energy: -76.509
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: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -734.540082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.540082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.540082 (E_RNA)
where:
Base-Base interactions energy: -516.734
where: short stacking energy: -209.998
Base-Backbone interact. energy: -0.420
local terms energy: -217.386160
where:
bonds (distance) C4'-P energy: -43.811
bonds (distance) P-C4' energy: -47.296
flat angles C4'-P-C4' energy: -39.214
flat angles P-C4'-P energy: -28.914
tors. eta vs tors. theta energy: -58.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -730.649223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.649223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.649223 (E_RNA)
where:
Base-Base interactions energy: -505.528
where: short stacking energy: -205.289
Base-Backbone interact. energy: 2.473
local terms energy: -227.594316
where:
bonds (distance) C4'-P energy: -30.127
bonds (distance) P-C4' energy: -51.089
flat angles C4'-P-C4' energy: -61.339
flat angles P-C4'-P energy: -32.234
tors. eta vs tors. theta energy: -52.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -581.886612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.886612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.886612 (E_RNA)
where:
Base-Base interactions energy: -361.040
where: short stacking energy: -165.013
Base-Backbone interact. energy: -0.145
local terms energy: -220.701566
where:
bonds (distance) C4'-P energy: -50.891
bonds (distance) P-C4' energy: -49.593
flat angles C4'-P-C4' energy: -47.801
flat angles P-C4'-P energy: -24.445
tors. eta vs tors. theta energy: -47.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -504.801055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.801055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.801055 (E_RNA)
where:
Base-Base interactions energy: -325.497
where: short stacking energy: -145.561
Base-Backbone interact. energy: -1.350
local terms energy: -177.953205
where:
bonds (distance) C4'-P energy: -36.984
bonds (distance) P-C4' energy: -52.907
flat angles C4'-P-C4' energy: -42.911
flat angles P-C4'-P energy: -25.291
tors. eta vs tors. theta energy: -19.859
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: 258
Temperature: 1.350000
Total energy: -226.016978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.016978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.016978 (E_RNA)
where:
Base-Base interactions energy: -77.340
where: short stacking energy: -70.100
Base-Backbone interact. energy: 2.526
local terms energy: -151.202922
where:
bonds (distance) C4'-P energy: -39.037
bonds (distance) P-C4' energy: -42.824
flat angles C4'-P-C4' energy: -46.006
flat angles P-C4'-P energy: -24.193
tors. eta vs tors. theta energy: 0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -964.802956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.802956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.802956 (E_RNA)
where:
Base-Base interactions energy: -664.982
where: short stacking energy: -304.193
Base-Backbone interact. energy: -2.188
local terms energy: -297.632332
where:
bonds (distance) C4'-P energy: -52.088
bonds (distance) P-C4' energy: -54.084
flat angles C4'-P-C4' energy: -61.290
flat angles P-C4'-P energy: -45.136
tors. eta vs tors. theta energy: -85.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -924.696404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.696404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.696404 (E_RNA)
where:
Base-Base interactions energy: -630.379
where: short stacking energy: -289.178
Base-Backbone interact. energy: -0.694
local terms energy: -293.622702
where:
bonds (distance) C4'-P energy: -52.835
bonds (distance) P-C4' energy: -52.997
flat angles C4'-P-C4' energy: -63.999
flat angles P-C4'-P energy: -38.070
tors. eta vs tors. theta energy: -85.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -872.439291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.439291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.439291 (E_RNA)
where:
Base-Base interactions energy: -591.511
where: short stacking energy: -263.005
Base-Backbone interact. energy: -2.201
local terms energy: -278.727167
where:
bonds (distance) C4'-P energy: -46.452
bonds (distance) P-C4' energy: -55.196
flat angles C4'-P-C4' energy: -58.538
flat angles P-C4'-P energy: -38.533
tors. eta vs tors. theta energy: -80.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -846.388136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.388136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.388136 (E_RNA)
where:
Base-Base interactions energy: -580.425
where: short stacking energy: -254.563
Base-Backbone interact. energy: -0.373
local terms energy: -265.590111
where:
bonds (distance) C4'-P energy: -41.992
bonds (distance) P-C4' energy: -57.427
flat angles C4'-P-C4' energy: -58.114
flat angles P-C4'-P energy: -38.692
tors. eta vs tors. theta energy: -69.366
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: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -802.465438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.465438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.465438 (E_RNA)
where:
Base-Base interactions energy: -556.002
where: short stacking energy: -237.611
Base-Backbone interact. energy: -1.637
local terms energy: -244.826542
where:
bonds (distance) C4'-P energy: -46.829
bonds (distance) P-C4' energy: -41.282
flat angles C4'-P-C4' energy: -57.541
flat angles P-C4'-P energy: -38.272
tors. eta vs tors. theta energy: -60.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -771.385721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.385721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.385721 (E_RNA)
where:
Base-Base interactions energy: -532.523
where: short stacking energy: -234.787
Base-Backbone interact. energy: -0.274
local terms energy: -238.588376
where:
bonds (distance) C4'-P energy: -37.976
bonds (distance) P-C4' energy: -54.855
flat angles C4'-P-C4' energy: -55.313
flat angles P-C4'-P energy: -25.289
tors. eta vs tors. theta energy: -65.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -740.133916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.133916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.133916 (E_RNA)
where:
Base-Base interactions energy: -518.709
where: short stacking energy: -226.693
Base-Backbone interact. energy: -0.284
local terms energy: -221.140306
where:
bonds (distance) C4'-P energy: -36.984
bonds (distance) P-C4' energy: -41.286
flat angles C4'-P-C4' energy: -45.578
flat angles P-C4'-P energy: -38.390
tors. eta vs tors. theta energy: -58.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -610.446653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.446653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.446653 (E_RNA)
where:
Base-Base interactions energy: -396.398
where: short stacking energy: -165.442
Base-Backbone interact. energy: -0.972
local terms energy: -213.076909
where:
bonds (distance) C4'-P energy: -48.962
bonds (distance) P-C4' energy: -48.260
flat angles C4'-P-C4' energy: -46.451
flat angles P-C4'-P energy: -30.066
tors. eta vs tors. theta energy: -39.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -525.728423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.728423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.728423 (E_RNA)
where:
Base-Base interactions energy: -334.713
where: short stacking energy: -149.577
Base-Backbone interact. energy: 1.787
local terms energy: -192.803050
where:
bonds (distance) C4'-P energy: -38.546
bonds (distance) P-C4' energy: -57.844
flat angles C4'-P-C4' energy: -35.670
flat angles P-C4'-P energy: -33.396
tors. eta vs tors. theta energy: -27.347
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: 259
Temperature: 1.350000
Total energy: -217.462872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.462872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.462872 (E_RNA)
where:
Base-Base interactions energy: -65.815
where: short stacking energy: -63.477
Base-Backbone interact. energy: -1.061
local terms energy: -150.586568
where:
bonds (distance) C4'-P energy: -38.070
bonds (distance) P-C4' energy: -48.074
flat angles C4'-P-C4' energy: -42.990
flat angles P-C4'-P energy: -25.721
tors. eta vs tors. theta energy: 4.269
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: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -964.048669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.048669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.048669 (E_RNA)
where:
Base-Base interactions energy: -669.343
where: short stacking energy: -301.123
Base-Backbone interact. energy: -1.428
local terms energy: -293.277925
where:
bonds (distance) C4'-P energy: -48.665
bonds (distance) P-C4' energy: -49.807
flat angles C4'-P-C4' energy: -66.452
flat angles P-C4'-P energy: -39.319
tors. eta vs tors. theta energy: -89.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -938.834069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.834069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.834069 (E_RNA)
where:
Base-Base interactions energy: -655.933
where: short stacking energy: -294.082
Base-Backbone interact. energy: -0.473
local terms energy: -282.428300
where:
bonds (distance) C4'-P energy: -49.723
bonds (distance) P-C4' energy: -48.756
flat angles C4'-P-C4' energy: -60.086
flat angles P-C4'-P energy: -33.214
tors. eta vs tors. theta energy: -90.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -859.283402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.283402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.283402 (E_RNA)
where:
Base-Base interactions energy: -583.133
where: short stacking energy: -268.982
Base-Backbone interact. energy: -0.680
local terms energy: -275.470291
where:
bonds (distance) C4'-P energy: -52.355
bonds (distance) P-C4' energy: -49.882
flat angles C4'-P-C4' energy: -61.698
flat angles P-C4'-P energy: -32.784
tors. eta vs tors. theta energy: -78.752
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: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -837.843687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.843687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.843687 (E_RNA)
where:
Base-Base interactions energy: -578.433
where: short stacking energy: -261.499
Base-Backbone interact. energy: -0.981
local terms energy: -258.428929
where:
bonds (distance) C4'-P energy: -46.325
bonds (distance) P-C4' energy: -54.828
flat angles C4'-P-C4' energy: -52.090
flat angles P-C4'-P energy: -30.052
tors. eta vs tors. theta energy: -75.133
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: 5
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -804.780363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.780363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.780363 (E_RNA)
where:
Base-Base interactions energy: -557.255
where: short stacking energy: -238.566
Base-Backbone interact. energy: -0.867
local terms energy: -246.658079
where:
bonds (distance) C4'-P energy: -51.595
bonds (distance) P-C4' energy: -46.083
flat angles C4'-P-C4' energy: -47.656
flat angles P-C4'-P energy: -34.958
tors. eta vs tors. theta energy: -66.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -809.849902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.849902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.849902 (E_RNA)
where:
Base-Base interactions energy: -556.231
where: short stacking energy: -238.425
Base-Backbone interact. energy: -0.454
local terms energy: -253.165686
where:
bonds (distance) C4'-P energy: -47.226
bonds (distance) P-C4' energy: -49.251
flat angles C4'-P-C4' energy: -54.321
flat angles P-C4'-P energy: -33.326
tors. eta vs tors. theta energy: -69.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -690.894747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.894747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.894747 (E_RNA)
where:
Base-Base interactions energy: -463.926
where: short stacking energy: -197.243
Base-Backbone interact. energy: -0.389
local terms energy: -226.580270
where:
bonds (distance) C4'-P energy: -43.237
bonds (distance) P-C4' energy: -48.843
flat angles C4'-P-C4' energy: -51.450
flat angles P-C4'-P energy: -37.538
tors. eta vs tors. theta energy: -45.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -596.477254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.477254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.477254 (E_RNA)
where:
Base-Base interactions energy: -381.187
where: short stacking energy: -170.443
Base-Backbone interact. energy: -0.990
local terms energy: -214.300395
where:
bonds (distance) C4'-P energy: -40.883
bonds (distance) P-C4' energy: -47.822
flat angles C4'-P-C4' energy: -51.262
flat angles P-C4'-P energy: -21.911
tors. eta vs tors. theta energy: -52.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -537.544942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.544942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.544942 (E_RNA)
where:
Base-Base interactions energy: -339.198
where: short stacking energy: -148.754
Base-Backbone interact. energy: -1.008
local terms energy: -197.338401
where:
bonds (distance) C4'-P energy: -50.438
bonds (distance) P-C4' energy: -42.438
flat angles C4'-P-C4' energy: -44.050
flat angles P-C4'-P energy: -23.666
tors. eta vs tors. theta energy: -36.746
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: 260
Temperature: 1.350000
Total energy: -217.194849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.194849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.194849 (E_RNA)
where:
Base-Base interactions energy: -71.240
where: short stacking energy: -49.026
Base-Backbone interact. energy: 0.992
local terms energy: -146.946841
where:
bonds (distance) C4'-P energy: -39.840
bonds (distance) P-C4' energy: -46.121
flat angles C4'-P-C4' energy: -41.686
flat angles P-C4'-P energy: -29.584
tors. eta vs tors. theta energy: 10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -964.757268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.757268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.757268 (E_RNA)
where:
Base-Base interactions energy: -669.807
where: short stacking energy: -297.103
Base-Backbone interact. energy: 0.285
local terms energy: -295.236034
where:
bonds (distance) C4'-P energy: -52.921
bonds (distance) P-C4' energy: -52.693
flat angles C4'-P-C4' energy: -60.199
flat angles P-C4'-P energy: -44.262
tors. eta vs tors. theta energy: -85.161
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: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -953.664740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.664740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.664740 (E_RNA)
where:
Base-Base interactions energy: -659.751
where: short stacking energy: -296.861
Base-Backbone interact. energy: -1.968
local terms energy: -291.945852
where:
bonds (distance) C4'-P energy: -52.918
bonds (distance) P-C4' energy: -49.480
flat angles C4'-P-C4' energy: -59.028
flat angles P-C4'-P energy: -44.063
tors. eta vs tors. theta energy: -86.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -845.248277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.248277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.248277 (E_RNA)
where:
Base-Base interactions energy: -566.111
where: short stacking energy: -248.145
Base-Backbone interact. energy: 1.159
local terms energy: -280.296065
where:
bonds (distance) C4'-P energy: -52.931
bonds (distance) P-C4' energy: -53.537
flat angles C4'-P-C4' energy: -55.576
flat angles P-C4'-P energy: -41.621
tors. eta vs tors. theta energy: -76.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -842.361850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.361850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.361850 (E_RNA)
where:
Base-Base interactions energy: -591.788
where: short stacking energy: -257.742
Base-Backbone interact. energy: -0.573
local terms energy: -250.000539
where:
bonds (distance) C4'-P energy: -42.137
bonds (distance) P-C4' energy: -47.623
flat angles C4'-P-C4' energy: -50.739
flat angles P-C4'-P energy: -35.077
tors. eta vs tors. theta energy: -74.425
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: 5
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -790.114945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.114945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.114945 (E_RNA)
where:
Base-Base interactions energy: -551.872
where: short stacking energy: -215.483
Base-Backbone interact. energy: -0.588
local terms energy: -237.655420
where:
bonds (distance) C4'-P energy: -44.871
bonds (distance) P-C4' energy: -50.730
flat angles C4'-P-C4' energy: -56.644
flat angles P-C4'-P energy: -33.077
tors. eta vs tors. theta energy: -52.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -809.764001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.764001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.764001 (E_RNA)
where:
Base-Base interactions energy: -558.840
where: short stacking energy: -241.412
Base-Backbone interact. energy: -0.155
local terms energy: -250.768431
where:
bonds (distance) C4'-P energy: -47.598
bonds (distance) P-C4' energy: -39.484
flat angles C4'-P-C4' energy: -56.985
flat angles P-C4'-P energy: -34.978
tors. eta vs tors. theta energy: -71.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -670.718294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.718294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.718294 (E_RNA)
where:
Base-Base interactions energy: -457.672
where: short stacking energy: -196.660
Base-Backbone interact. energy: -1.147
local terms energy: -211.899464
where:
bonds (distance) C4'-P energy: -43.237
bonds (distance) P-C4' energy: -41.844
flat angles C4'-P-C4' energy: -38.244
flat angles P-C4'-P energy: -34.882
tors. eta vs tors. theta energy: -53.693
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: 261
Temperature: 1.250000
Total energy: -593.117272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.117272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.117272 (E_RNA)
where:
Base-Base interactions energy: -388.303
where: short stacking energy: -176.045
Base-Backbone interact. energy: -0.260
local terms energy: -204.554147
where:
bonds (distance) C4'-P energy: -42.092
bonds (distance) P-C4' energy: -45.380
flat angles C4'-P-C4' energy: -43.535
flat angles P-C4'-P energy: -33.799
tors. eta vs tors. theta energy: -39.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -573.203621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.203621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.203621 (E_RNA)
where:
Base-Base interactions energy: -368.227
where: short stacking energy: -161.224
Base-Backbone interact. energy: -0.578
local terms energy: -204.398552
where:
bonds (distance) C4'-P energy: -48.527
bonds (distance) P-C4' energy: -40.606
flat angles C4'-P-C4' energy: -51.410
flat angles P-C4'-P energy: -30.272
tors. eta vs tors. theta energy: -33.583
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: 261
Temperature: 1.350000
Total energy: -245.615435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.615435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.615435 (E_RNA)
where:
Base-Base interactions energy: -92.342
where: short stacking energy: -58.270
Base-Backbone interact. energy: -0.549
local terms energy: -152.724126
where:
bonds (distance) C4'-P energy: -44.486
bonds (distance) P-C4' energy: -55.365
flat angles C4'-P-C4' energy: -46.756
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: 8.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -969.610552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.610552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.610552 (E_RNA)
where:
Base-Base interactions energy: -669.828
where: short stacking energy: -294.182
Base-Backbone interact. energy: -0.516
local terms energy: -299.266480
where:
bonds (distance) C4'-P energy: -52.519
bonds (distance) P-C4' energy: -57.034
flat angles C4'-P-C4' energy: -60.775
flat angles P-C4'-P energy: -44.215
tors. eta vs tors. theta energy: -84.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -942.056606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.056606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.056606 (E_RNA)
where:
Base-Base interactions energy: -640.069
where: short stacking energy: -286.379
Base-Backbone interact. energy: -2.485
local terms energy: -299.502702
where:
bonds (distance) C4'-P energy: -57.736
bonds (distance) P-C4' energy: -51.935
flat angles C4'-P-C4' energy: -58.751
flat angles P-C4'-P energy: -41.602
tors. eta vs tors. theta energy: -89.479
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: 6
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -849.394602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.394602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.394602 (E_RNA)
where:
Base-Base interactions energy: -575.022
where: short stacking energy: -256.256
Base-Backbone interact. energy: -0.976
local terms energy: -273.396317
where:
bonds (distance) C4'-P energy: -46.561
bonds (distance) P-C4' energy: -49.446
flat angles C4'-P-C4' energy: -60.334
flat angles P-C4'-P energy: -42.004
tors. eta vs tors. theta energy: -75.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -832.065654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.065654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.065654 (E_RNA)
where:
Base-Base interactions energy: -577.858
where: short stacking energy: -240.917
Base-Backbone interact. energy: -1.548
local terms energy: -252.659688
where:
bonds (distance) C4'-P energy: -49.582
bonds (distance) P-C4' energy: -52.547
flat angles C4'-P-C4' energy: -50.736
flat angles P-C4'-P energy: -34.066
tors. eta vs tors. theta energy: -65.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -834.367851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.367851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.367851 (E_RNA)
where:
Base-Base interactions energy: -565.193
where: short stacking energy: -236.630
Base-Backbone interact. energy: -0.184
local terms energy: -268.990981
where:
bonds (distance) C4'-P energy: -47.210
bonds (distance) P-C4' energy: -52.528
flat angles C4'-P-C4' energy: -53.027
flat angles P-C4'-P energy: -39.605
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: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -760.645298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.645298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.645298 (E_RNA)
where:
Base-Base interactions energy: -505.374
where: short stacking energy: -214.359
Base-Backbone interact. energy: -1.113
local terms energy: -254.158622
where:
bonds (distance) C4'-P energy: -47.352
bonds (distance) P-C4' energy: -48.833
flat angles C4'-P-C4' energy: -53.488
flat angles P-C4'-P energy: -41.013
tors. eta vs tors. theta energy: -63.472
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: 9
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -704.953693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.953693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.953693 (E_RNA)
where:
Base-Base interactions energy: -474.360
where: short stacking energy: -215.434
Base-Backbone interact. energy: -0.452
local terms energy: -230.141010
where:
bonds (distance) C4'-P energy: -49.271
bonds (distance) P-C4' energy: -28.802
flat angles C4'-P-C4' energy: -57.088
flat angles P-C4'-P energy: -36.401
tors. eta vs tors. theta energy: -58.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -594.019797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.019797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.019797 (E_RNA)
where:
Base-Base interactions energy: -403.839
where: short stacking energy: -170.418
Base-Backbone interact. energy: -0.300
local terms energy: -189.880440
where:
bonds (distance) C4'-P energy: -29.363
bonds (distance) P-C4' energy: -50.490
flat angles C4'-P-C4' energy: -43.355
flat angles P-C4'-P energy: -28.295
tors. eta vs tors. theta energy: -38.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -567.010941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.010941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.010941 (E_RNA)
where:
Base-Base interactions energy: -376.882
where: short stacking energy: -163.697
Base-Backbone interact. energy: 2.081
local terms energy: -192.210137
where:
bonds (distance) C4'-P energy: -49.502
bonds (distance) P-C4' energy: -45.613
flat angles C4'-P-C4' energy: -40.840
flat angles P-C4'-P energy: -22.127
tors. eta vs tors. theta energy: -34.128
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: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -235.253954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.253954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.253954 (E_RNA)
where:
Base-Base interactions energy: -88.260
where: short stacking energy: -76.612
Base-Backbone interact. energy: 4.544
local terms energy: -151.537582
where:
bonds (distance) C4'-P energy: -34.311
bonds (distance) P-C4' energy: -46.617
flat angles C4'-P-C4' energy: -37.399
flat angles P-C4'-P energy: -31.265
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: 1, replica: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -964.013339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.013339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.013339 (E_RNA)
where:
Base-Base interactions energy: -669.348
where: short stacking energy: -301.149
Base-Backbone interact. energy: -0.306
local terms energy: -294.359439
where:
bonds (distance) C4'-P energy: -52.922
bonds (distance) P-C4' energy: -47.664
flat angles C4'-P-C4' energy: -61.464
flat angles P-C4'-P energy: -45.511
tors. eta vs tors. theta energy: -86.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -933.847239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.847239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.847239 (E_RNA)
where:
Base-Base interactions energy: -638.294
where: short stacking energy: -289.840
Base-Backbone interact. energy: -0.490
local terms energy: -295.062923
where:
bonds (distance) C4'-P energy: -55.470
bonds (distance) P-C4' energy: -52.220
flat angles C4'-P-C4' energy: -62.348
flat angles P-C4'-P energy: -37.861
tors. eta vs tors. theta energy: -87.164
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: 6
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -836.835521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.835521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.835521 (E_RNA)
where:
Base-Base interactions energy: -576.426
where: short stacking energy: -250.866
Base-Backbone interact. energy: -0.980
local terms energy: -259.429646
where:
bonds (distance) C4'-P energy: -50.534
bonds (distance) P-C4' energy: -46.905
flat angles C4'-P-C4' energy: -57.379
flat angles P-C4'-P energy: -30.870
tors. eta vs tors. theta energy: -73.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -839.801493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.801493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.801493 (E_RNA)
where:
Base-Base interactions energy: -591.737
where: short stacking energy: -227.902
Base-Backbone interact. energy: 0.037
local terms energy: -248.101166
where:
bonds (distance) C4'-P energy: -46.209
bonds (distance) P-C4' energy: -48.122
flat angles C4'-P-C4' energy: -56.748
flat angles P-C4'-P energy: -32.267
tors. eta vs tors. theta energy: -64.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -805.637563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.637563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.637563 (E_RNA)
where:
Base-Base interactions energy: -556.796
where: short stacking energy: -242.366
Base-Backbone interact. energy: 0.254
local terms energy: -249.095560
where:
bonds (distance) C4'-P energy: -42.924
bonds (distance) P-C4' energy: -52.043
flat angles C4'-P-C4' energy: -46.296
flat angles P-C4'-P energy: -38.839
tors. eta vs tors. theta energy: -68.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -804.318257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.318257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.318257 (E_RNA)
where:
Base-Base interactions energy: -556.298
where: short stacking energy: -239.125
Base-Backbone interact. energy: -2.592
local terms energy: -245.429032
where:
bonds (distance) C4'-P energy: -39.591
bonds (distance) P-C4' energy: -50.471
flat angles C4'-P-C4' energy: -45.963
flat angles P-C4'-P energy: -37.565
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: 7, replica: 9
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -723.672933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.672933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.672933 (E_RNA)
where:
Base-Base interactions energy: -499.609
where: short stacking energy: -203.181
Base-Backbone interact. energy: 1.193
local terms energy: -225.257188
where:
bonds (distance) C4'-P energy: -39.539
bonds (distance) P-C4' energy: -50.121
flat angles C4'-P-C4' energy: -52.786
flat angles P-C4'-P energy: -29.835
tors. eta vs tors. theta energy: -52.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -582.780974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.780974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.780974 (E_RNA)
where:
Base-Base interactions energy: -361.940
where: short stacking energy: -161.870
Base-Backbone interact. energy: 2.252
local terms energy: -223.092606
where:
bonds (distance) C4'-P energy: -50.186
bonds (distance) P-C4' energy: -53.757
flat angles C4'-P-C4' energy: -45.747
flat angles P-C4'-P energy: -38.859
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: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -531.400532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.400532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.400532 (E_RNA)
where:
Base-Base interactions energy: -345.068
where: short stacking energy: -149.263
Base-Backbone interact. energy: -0.768
local terms energy: -185.563883
where:
bonds (distance) C4'-P energy: -44.811
bonds (distance) P-C4' energy: -40.761
flat angles C4'-P-C4' energy: -44.309
flat angles P-C4'-P energy: -25.181
tors. eta vs tors. theta energy: -30.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -215.155977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.155977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.155977 (E_RNA)
where:
Base-Base interactions energy: -81.704
where: short stacking energy: -71.294
Base-Backbone interact. energy: -1.029
local terms energy: -132.422789
where:
bonds (distance) C4'-P energy: -42.002
bonds (distance) P-C4' energy: -45.943
flat angles C4'-P-C4' energy: -42.492
flat angles P-C4'-P energy: -17.214
tors. eta vs tors. theta energy: 15.228
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: 1, replica: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -954.237363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.237363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.237363 (E_RNA)
where:
Base-Base interactions energy: -654.656
where: short stacking energy: -300.204
Base-Backbone interact. energy: -2.345
local terms energy: -297.237149
where:
bonds (distance) C4'-P energy: -48.780
bonds (distance) P-C4' energy: -55.244
flat angles C4'-P-C4' energy: -57.407
flat angles P-C4'-P energy: -45.190
tors. eta vs tors. theta energy: -90.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -950.790786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.790786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.790786 (E_RNA)
where:
Base-Base interactions energy: -652.841
where: short stacking energy: -271.739
Base-Backbone interact. energy: -0.490
local terms energy: -297.458993
where:
bonds (distance) C4'-P energy: -46.701
bonds (distance) P-C4' energy: -57.098
flat angles C4'-P-C4' energy: -62.250
flat angles P-C4'-P energy: -46.912
tors. eta vs tors. theta energy: -84.498
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: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -873.601123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.601123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.601123 (E_RNA)
where:
Base-Base interactions energy: -602.663
where: short stacking energy: -263.231
Base-Backbone interact. energy: 1.622
local terms energy: -272.560683
where:
bonds (distance) C4'-P energy: -49.391
bonds (distance) P-C4' energy: -48.753
flat angles C4'-P-C4' energy: -56.379
flat angles P-C4'-P energy: -40.397
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: 4, replica: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -811.372295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.372295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.372295 (E_RNA)
where:
Base-Base interactions energy: -558.363
where: short stacking energy: -261.663
Base-Backbone interact. energy: -0.834
local terms energy: -252.174743
where:
bonds (distance) C4'-P energy: -39.964
bonds (distance) P-C4' energy: -51.070
flat angles C4'-P-C4' energy: -50.975
flat angles P-C4'-P energy: -35.865
tors. eta vs tors. theta energy: -74.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -817.917645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.917645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.917645 (E_RNA)
where:
Base-Base interactions energy: -555.204
where: short stacking energy: -235.341
Base-Backbone interact. energy: -0.968
local terms energy: -261.745510
where:
bonds (distance) C4'-P energy: -49.716
bonds (distance) P-C4' energy: -54.688
flat angles C4'-P-C4' energy: -52.035
flat angles P-C4'-P energy: -34.611
tors. eta vs tors. theta energy: -70.696
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: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -744.430111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.430111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.430111 (E_RNA)
where:
Base-Base interactions energy: -502.156
where: short stacking energy: -207.483
Base-Backbone interact. energy: -1.558
local terms energy: -240.716039
where:
bonds (distance) C4'-P energy: -44.416
bonds (distance) P-C4' energy: -52.026
flat angles C4'-P-C4' energy: -51.258
flat angles P-C4'-P energy: -37.799
tors. eta vs tors. theta energy: -55.218
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: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -733.910382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.910382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.910382 (E_RNA)
where:
Base-Base interactions energy: -514.184
where: short stacking energy: -202.030
Base-Backbone interact. energy: -0.360
local terms energy: -219.365878
where:
bonds (distance) C4'-P energy: -48.012
bonds (distance) P-C4' energy: -49.283
flat angles C4'-P-C4' energy: -44.641
flat angles P-C4'-P energy: -27.231
tors. eta vs tors. theta energy: -50.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -579.815114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.815114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.815114 (E_RNA)
where:
Base-Base interactions energy: -393.822
where: short stacking energy: -161.175
Base-Backbone interact. energy: -1.595
local terms energy: -184.398389
where:
bonds (distance) C4'-P energy: -47.337
bonds (distance) P-C4' energy: -26.503
flat angles C4'-P-C4' energy: -41.723
flat angles P-C4'-P energy: -31.590
tors. eta vs tors. theta energy: -37.246
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: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -506.051613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.051613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.051613 (E_RNA)
where:
Base-Base interactions energy: -307.531
where: short stacking energy: -145.775
Base-Backbone interact. energy: 0.294
local terms energy: -198.814764
where:
bonds (distance) C4'-P energy: -43.232
bonds (distance) P-C4' energy: -47.137
flat angles C4'-P-C4' energy: -51.118
flat angles P-C4'-P energy: -25.739
tors. eta vs tors. theta energy: -31.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -223.534950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.534950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.534950 (E_RNA)
where:
Base-Base interactions energy: -75.888
where: short stacking energy: -67.866
Base-Backbone interact. energy: 2.052
local terms energy: -149.698767
where:
bonds (distance) C4'-P energy: -35.741
bonds (distance) P-C4' energy: -41.366
flat angles C4'-P-C4' energy: -52.435
flat angles P-C4'-P energy: -21.055
tors. eta vs tors. theta energy: 0.898
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: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -972.776786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.776786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.776786 (E_RNA)
where:
Base-Base interactions energy: -684.117
where: short stacking energy: -295.095
Base-Backbone interact. energy: 0.975
local terms energy: -289.634394
where:
bonds (distance) C4'-P energy: -49.441
bonds (distance) P-C4' energy: -55.790
flat angles C4'-P-C4' energy: -63.539
flat angles P-C4'-P energy: -33.803
tors. eta vs tors. theta energy: -87.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -951.567908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.567908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.567908 (E_RNA)
where:
Base-Base interactions energy: -663.464
where: short stacking energy: -297.033
Base-Backbone interact. energy: -0.366
local terms energy: -287.737953
where:
bonds (distance) C4'-P energy: -47.491
bonds (distance) P-C4' energy: -53.822
flat angles C4'-P-C4' energy: -59.445
flat angles P-C4'-P energy: -40.347
tors. eta vs tors. theta energy: -86.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -852.445204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.445204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.445204 (E_RNA)
where:
Base-Base interactions energy: -581.779
where: short stacking energy: -252.132
Base-Backbone interact. energy: 0.211
local terms energy: -270.877128
where:
bonds (distance) C4'-P energy: -42.257
bonds (distance) P-C4' energy: -55.660
flat angles C4'-P-C4' energy: -58.835
flat angles P-C4'-P energy: -42.317
tors. eta vs tors. theta energy: -71.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -820.132596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.132596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.132596 (E_RNA)
where:
Base-Base interactions energy: -566.607
where: short stacking energy: -248.720
Base-Backbone interact. energy: -1.512
local terms energy: -252.013002
where:
bonds (distance) C4'-P energy: -52.156
bonds (distance) P-C4' energy: -54.217
flat angles C4'-P-C4' energy: -46.121
flat angles P-C4'-P energy: -37.099
tors. eta vs tors. theta energy: -62.421
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: 265
Temperature: 1.100000
Total energy: -810.904567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.904567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.904567 (E_RNA)
where:
Base-Base interactions energy: -555.062
where: short stacking energy: -243.112
Base-Backbone interact. energy: -0.940
local terms energy: -254.902265
where:
bonds (distance) C4'-P energy: -41.988
bonds (distance) P-C4' energy: -46.563
flat angles C4'-P-C4' energy: -58.899
flat angles P-C4'-P energy: -31.885
tors. eta vs tors. theta energy: -75.567
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: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -761.621680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.621680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.621680 (E_RNA)
where:
Base-Base interactions energy: -517.898
where: short stacking energy: -221.121
Base-Backbone interact. energy: -1.298
local terms energy: -242.425786
where:
bonds (distance) C4'-P energy: -41.318
bonds (distance) P-C4' energy: -50.259
flat angles C4'-P-C4' energy: -44.332
flat angles P-C4'-P energy: -42.815
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: 7, replica: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -759.210415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.210415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.210415 (E_RNA)
where:
Base-Base interactions energy: -523.090
where: short stacking energy: -222.514
Base-Backbone interact. energy: -0.829
local terms energy: -235.291608
where:
bonds (distance) C4'-P energy: -40.392
bonds (distance) P-C4' energy: -48.807
flat angles C4'-P-C4' energy: -58.736
flat angles P-C4'-P energy: -31.563
tors. eta vs tors. theta energy: -55.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -618.151203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.151203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.151203 (E_RNA)
where:
Base-Base interactions energy: -420.804
where: short stacking energy: -183.729
Base-Backbone interact. energy: 4.403
local terms energy: -201.750104
where:
bonds (distance) C4'-P energy: -32.485
bonds (distance) P-C4' energy: -32.554
flat angles C4'-P-C4' energy: -55.030
flat angles P-C4'-P energy: -33.795
tors. eta vs tors. theta energy: -47.886
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: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -528.435431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.435431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.435431 (E_RNA)
where:
Base-Base interactions energy: -335.914
where: short stacking energy: -149.342
Base-Backbone interact. energy: -1.903
local terms energy: -190.618530
where:
bonds (distance) C4'-P energy: -47.046
bonds (distance) P-C4' energy: -50.165
flat angles C4'-P-C4' energy: -48.178
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: -29.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -217.072840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.072840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.072840 (E_RNA)
where:
Base-Base interactions energy: -72.056
where: short stacking energy: -48.881
Base-Backbone interact. energy: -1.036
local terms energy: -143.980614
where:
bonds (distance) C4'-P energy: -41.164
bonds (distance) P-C4' energy: -41.525
flat angles C4'-P-C4' energy: -43.762
flat angles P-C4'-P energy: -25.940
tors. eta vs tors. theta energy: 8.410
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: 266
Temperature: 0.900000
Total energy: -949.293282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.293282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.293282 (E_RNA)
where:
Base-Base interactions energy: -649.145
where: short stacking energy: -287.400
Base-Backbone interact. energy: -0.626
local terms energy: -299.522547
where:
bonds (distance) C4'-P energy: -47.214
bonds (distance) P-C4' energy: -57.489
flat angles C4'-P-C4' energy: -60.705
flat angles P-C4'-P energy: -47.044
tors. eta vs tors. theta energy: -87.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -935.431601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.431601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.431601 (E_RNA)
where:
Base-Base interactions energy: -663.541
where: short stacking energy: -276.927
Base-Backbone interact. energy: -0.066
local terms energy: -271.825369
where:
bonds (distance) C4'-P energy: -43.487
bonds (distance) P-C4' energy: -48.976
flat angles C4'-P-C4' energy: -57.132
flat angles P-C4'-P energy: -40.135
tors. eta vs tors. theta energy: -82.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -863.089686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.089686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.089686 (E_RNA)
where:
Base-Base interactions energy: -604.002
where: short stacking energy: -257.862
Base-Backbone interact. energy: -0.209
local terms energy: -258.878181
where:
bonds (distance) C4'-P energy: -48.083
bonds (distance) P-C4' energy: -53.413
flat angles C4'-P-C4' energy: -54.640
flat angles P-C4'-P energy: -31.652
tors. eta vs tors. theta energy: -71.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -813.124678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.124678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.124678 (E_RNA)
where:
Base-Base interactions energy: -548.777
where: short stacking energy: -242.090
Base-Backbone interact. energy: -0.420
local terms energy: -263.928168
where:
bonds (distance) C4'-P energy: -51.528
bonds (distance) P-C4' energy: -53.493
flat angles C4'-P-C4' energy: -53.395
flat angles P-C4'-P energy: -33.555
tors. eta vs tors. theta energy: -71.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -806.336873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.336873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.336873 (E_RNA)
where:
Base-Base interactions energy: -552.198
where: short stacking energy: -245.744
Base-Backbone interact. energy: -0.466
local terms energy: -253.673003
where:
bonds (distance) C4'-P energy: -45.153
bonds (distance) P-C4' energy: -44.487
flat angles C4'-P-C4' energy: -54.748
flat angles P-C4'-P energy: -40.736
tors. eta vs tors. theta energy: -68.549
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: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -758.748686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.748686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.748686 (E_RNA)
where:
Base-Base interactions energy: -513.087
where: short stacking energy: -211.075
Base-Backbone interact. energy: -2.368
local terms energy: -243.292984
where:
bonds (distance) C4'-P energy: -53.568
bonds (distance) P-C4' energy: -50.943
flat angles C4'-P-C4' energy: -52.079
flat angles P-C4'-P energy: -31.258
tors. eta vs tors. theta energy: -55.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -767.509356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.509356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.509356 (E_RNA)
where:
Base-Base interactions energy: -521.640
where: short stacking energy: -210.680
Base-Backbone interact. energy: -1.252
local terms energy: -244.617949
where:
bonds (distance) C4'-P energy: -48.427
bonds (distance) P-C4' energy: -48.810
flat angles C4'-P-C4' energy: -52.024
flat angles P-C4'-P energy: -29.620
tors. eta vs tors. theta energy: -65.737
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: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -610.814363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.814363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.814363 (E_RNA)
where:
Base-Base interactions energy: -398.353
where: short stacking energy: -166.071
Base-Backbone interact. energy: -1.045
local terms energy: -211.416861
where:
bonds (distance) C4'-P energy: -41.379
bonds (distance) P-C4' energy: -48.158
flat angles C4'-P-C4' energy: -44.715
flat angles P-C4'-P energy: -32.991
tors. eta vs tors. theta energy: -44.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -549.954202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.954202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.954202 (E_RNA)
where:
Base-Base interactions energy: -347.556
where: short stacking energy: -137.609
Base-Backbone interact. energy: -2.142
local terms energy: -200.256705
where:
bonds (distance) C4'-P energy: -47.328
bonds (distance) P-C4' energy: -47.762
flat angles C4'-P-C4' energy: -43.939
flat angles P-C4'-P energy: -29.177
tors. eta vs tors. theta energy: -32.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -234.183830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.183830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.183830 (E_RNA)
where:
Base-Base interactions energy: -80.231
where: short stacking energy: -73.436
Base-Backbone interact. energy: -0.275
local terms energy: -153.677410
where:
bonds (distance) C4'-P energy: -41.053
bonds (distance) P-C4' energy: -49.956
flat angles C4'-P-C4' energy: -41.450
flat angles P-C4'-P energy: -22.702
tors. eta vs tors. theta energy: 1.483
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: 1, replica: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -966.917639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.917639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.917639 (E_RNA)
where:
Base-Base interactions energy: -671.652
where: short stacking energy: -291.623
Base-Backbone interact. energy: -1.335
local terms energy: -293.930823
where:
bonds (distance) C4'-P energy: -52.472
bonds (distance) P-C4' energy: -53.110
flat angles C4'-P-C4' energy: -60.591
flat angles P-C4'-P energy: -42.545
tors. eta vs tors. theta energy: -85.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -925.089115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.089115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.089115 (E_RNA)
where:
Base-Base interactions energy: -639.789
where: short stacking energy: -273.062
Base-Backbone interact. energy: -1.764
local terms energy: -283.536348
where:
bonds (distance) C4'-P energy: -55.782
bonds (distance) P-C4' energy: -52.541
flat angles C4'-P-C4' energy: -58.151
flat angles P-C4'-P energy: -41.869
tors. eta vs tors. theta energy: -75.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -875.974687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.974687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.974687 (E_RNA)
where:
Base-Base interactions energy: -598.110
where: short stacking energy: -259.526
Base-Backbone interact. energy: -0.321
local terms energy: -277.543117
where:
bonds (distance) C4'-P energy: -48.776
bonds (distance) P-C4' energy: -48.364
flat angles C4'-P-C4' energy: -54.073
flat angles P-C4'-P energy: -45.902
tors. eta vs tors. theta energy: -80.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -845.978725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.978725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.978725 (E_RNA)
where:
Base-Base interactions energy: -576.235
where: short stacking energy: -239.286
Base-Backbone interact. energy: 3.045
local terms energy: -272.789156
where:
bonds (distance) C4'-P energy: -54.480
bonds (distance) P-C4' energy: -54.460
flat angles C4'-P-C4' energy: -62.062
flat angles P-C4'-P energy: -35.575
tors. eta vs tors. theta energy: -66.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -812.745608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.745608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.745608 (E_RNA)
where:
Base-Base interactions energy: -554.309
where: short stacking energy: -230.377
Base-Backbone interact. energy: -0.289
local terms energy: -258.148089
where:
bonds (distance) C4'-P energy: -46.824
bonds (distance) P-C4' energy: -44.726
flat angles C4'-P-C4' energy: -54.064
flat angles P-C4'-P energy: -39.005
tors. eta vs tors. theta energy: -73.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -802.110097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.110097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.110097 (E_RNA)
where:
Base-Base interactions energy: -560.305
where: short stacking energy: -242.297
Base-Backbone interact. energy: -0.197
local terms energy: -241.607957
where:
bonds (distance) C4'-P energy: -44.249
bonds (distance) P-C4' energy: -40.635
flat angles C4'-P-C4' energy: -46.888
flat angles P-C4'-P energy: -35.979
tors. eta vs tors. theta energy: -73.856
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: 5
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -741.725111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.725111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.725111 (E_RNA)
where:
Base-Base interactions energy: -504.832
where: short stacking energy: -203.169
Base-Backbone interact. energy: -0.963
local terms energy: -235.929772
where:
bonds (distance) C4'-P energy: -48.159
bonds (distance) P-C4' energy: -50.693
flat angles C4'-P-C4' energy: -46.896
flat angles P-C4'-P energy: -33.005
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: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -607.225068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.225068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.225068 (E_RNA)
where:
Base-Base interactions energy: -391.614
where: short stacking energy: -174.373
Base-Backbone interact. energy: 0.630
local terms energy: -216.240492
where:
bonds (distance) C4'-P energy: -40.953
bonds (distance) P-C4' energy: -50.021
flat angles C4'-P-C4' energy: -46.045
flat angles P-C4'-P energy: -34.568
tors. eta vs tors. theta energy: -44.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -542.441185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.441185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.441185 (E_RNA)
where:
Base-Base interactions energy: -329.885
where: short stacking energy: -146.352
Base-Backbone interact. energy: -0.671
local terms energy: -211.885935
where:
bonds (distance) C4'-P energy: -53.866
bonds (distance) P-C4' energy: -59.542
flat angles C4'-P-C4' energy: -43.123
flat angles P-C4'-P energy: -27.465
tors. eta vs tors. theta energy: -27.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -220.521424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.521424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.521424 (E_RNA)
where:
Base-Base interactions energy: -63.777
where: short stacking energy: -56.778
Base-Backbone interact. energy: -0.840
local terms energy: -155.904800
where:
bonds (distance) C4'-P energy: -55.428
bonds (distance) P-C4' energy: -41.375
flat angles C4'-P-C4' energy: -44.359
flat angles P-C4'-P energy: -19.840
tors. eta vs tors. theta energy: 5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -945.643181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.643181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.643181 (E_RNA)
where:
Base-Base interactions energy: -654.978
where: short stacking energy: -281.975
Base-Backbone interact. energy: -0.356
local terms energy: -290.308829
where:
bonds (distance) C4'-P energy: -51.798
bonds (distance) P-C4' energy: -57.877
flat angles C4'-P-C4' energy: -60.840
flat angles P-C4'-P energy: -35.589
tors. eta vs tors. theta energy: -84.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -913.283165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.283165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.283165 (E_RNA)
where:
Base-Base interactions energy: -627.422
where: short stacking energy: -275.383
Base-Backbone interact. energy: -1.626
local terms energy: -284.235204
where:
bonds (distance) C4'-P energy: -55.850
bonds (distance) P-C4' energy: -49.483
flat angles C4'-P-C4' energy: -58.255
flat angles P-C4'-P energy: -44.071
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: 3, replica: 8
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -878.600070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.600070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.600070 (E_RNA)
where:
Base-Base interactions energy: -615.577
where: short stacking energy: -247.036
Base-Backbone interact. energy: -0.992
local terms energy: -262.031806
where:
bonds (distance) C4'-P energy: -47.561
bonds (distance) P-C4' energy: -51.159
flat angles C4'-P-C4' energy: -54.843
flat angles P-C4'-P energy: -35.274
tors. eta vs tors. theta energy: -73.195
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: 6
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -822.277851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.277851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.277851 (E_RNA)
where:
Base-Base interactions energy: -565.809
where: short stacking energy: -232.656
Base-Backbone interact. energy: 0.158
local terms energy: -256.626284
where:
bonds (distance) C4'-P energy: -47.436
bonds (distance) P-C4' energy: -52.852
flat angles C4'-P-C4' energy: -49.314
flat angles P-C4'-P energy: -39.296
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: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -769.365525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.365525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.365525 (E_RNA)
where:
Base-Base interactions energy: -521.351
where: short stacking energy: -223.624
Base-Backbone interact. energy: -1.386
local terms energy: -246.628353
where:
bonds (distance) C4'-P energy: -49.923
bonds (distance) P-C4' energy: -45.241
flat angles C4'-P-C4' energy: -46.853
flat angles P-C4'-P energy: -41.201
tors. eta vs tors. theta energy: -63.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -770.823753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.823753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.823753 (E_RNA)
where:
Base-Base interactions energy: -546.249
where: short stacking energy: -233.057
Base-Backbone interact. energy: 1.009
local terms energy: -225.583815
where:
bonds (distance) C4'-P energy: -42.475
bonds (distance) P-C4' energy: -39.833
flat angles C4'-P-C4' energy: -53.742
flat angles P-C4'-P energy: -24.698
tors. eta vs tors. theta energy: -64.836
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: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -719.361799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.361799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.361799 (E_RNA)
where:
Base-Base interactions energy: -496.666
where: short stacking energy: -180.133
Base-Backbone interact. energy: -2.220
local terms energy: -220.476228
where:
bonds (distance) C4'-P energy: -41.657
bonds (distance) P-C4' energy: -44.021
flat angles C4'-P-C4' energy: -58.620
flat angles P-C4'-P energy: -31.237
tors. eta vs tors. theta energy: -44.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -630.978477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.978477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.978477 (E_RNA)
where:
Base-Base interactions energy: -414.550
where: short stacking energy: -181.198
Base-Backbone interact. energy: -1.094
local terms energy: -215.334402
where:
bonds (distance) C4'-P energy: -44.886
bonds (distance) P-C4' energy: -49.360
flat angles C4'-P-C4' energy: -43.119
flat angles P-C4'-P energy: -28.322
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: 9, replica: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -525.864248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.864248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.864248 (E_RNA)
where:
Base-Base interactions energy: -342.044
where: short stacking energy: -155.699
Base-Backbone interact. energy: 3.746
local terms energy: -187.566473
where:
bonds (distance) C4'-P energy: -40.269
bonds (distance) P-C4' energy: -44.380
flat angles C4'-P-C4' energy: -53.629
flat angles P-C4'-P energy: -15.895
tors. eta vs tors. theta energy: -33.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -218.007920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.007920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.007920 (E_RNA)
where:
Base-Base interactions energy: -66.781
where: short stacking energy: -61.218
Base-Backbone interact. energy: 0.889
local terms energy: -152.115790
where:
bonds (distance) C4'-P energy: -33.608
bonds (distance) P-C4' energy: -44.978
flat angles C4'-P-C4' energy: -41.954
flat angles P-C4'-P energy: -30.497
tors. eta vs tors. theta energy: -1.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -957.146036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.146036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.146036 (E_RNA)
where:
Base-Base interactions energy: -664.072
where: short stacking energy: -298.141
Base-Backbone interact. energy: -0.663
local terms energy: -292.411168
where:
bonds (distance) C4'-P energy: -55.086
bonds (distance) P-C4' energy: -43.741
flat angles C4'-P-C4' energy: -63.902
flat angles P-C4'-P energy: -41.808
tors. eta vs tors. theta energy: -87.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -895.579899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.579899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.579899 (E_RNA)
where:
Base-Base interactions energy: -608.391
where: short stacking energy: -244.057
Base-Backbone interact. energy: -1.203
local terms energy: -285.986439
where:
bonds (distance) C4'-P energy: -54.836
bonds (distance) P-C4' energy: -59.813
flat angles C4'-P-C4' energy: -59.926
flat angles P-C4'-P energy: -36.980
tors. eta vs tors. theta energy: -74.432
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: 3, replica: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -895.911372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.911372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.911372 (E_RNA)
where:
Base-Base interactions energy: -627.520
where: short stacking energy: -285.931
Base-Backbone interact. energy: -0.126
local terms energy: -268.264584
where:
bonds (distance) C4'-P energy: -53.348
bonds (distance) P-C4' energy: -46.296
flat angles C4'-P-C4' energy: -52.100
flat angles P-C4'-P energy: -34.190
tors. eta vs tors. theta energy: -82.331
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: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -823.641504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.641504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.641504 (E_RNA)
where:
Base-Base interactions energy: -560.013
where: short stacking energy: -244.349
Base-Backbone interact. energy: -1.356
local terms energy: -262.272941
where:
bonds (distance) C4'-P energy: -49.175
bonds (distance) P-C4' energy: -45.393
flat angles C4'-P-C4' energy: -57.077
flat angles P-C4'-P energy: -42.694
tors. eta vs tors. theta energy: -67.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -789.132689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.132689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.132689 (E_RNA)
where:
Base-Base interactions energy: -523.659
where: short stacking energy: -244.844
Base-Backbone interact. energy: -0.134
local terms energy: -265.339016
where:
bonds (distance) C4'-P energy: -55.288
bonds (distance) P-C4' energy: -51.578
flat angles C4'-P-C4' energy: -52.190
flat angles P-C4'-P energy: -30.170
tors. eta vs tors. theta energy: -76.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -795.193009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.193009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.193009 (E_RNA)
where:
Base-Base interactions energy: -557.571
where: short stacking energy: -237.737
Base-Backbone interact. energy: 1.299
local terms energy: -238.920684
where:
bonds (distance) C4'-P energy: -36.042
bonds (distance) P-C4' energy: -47.477
flat angles C4'-P-C4' energy: -54.710
flat angles P-C4'-P energy: -34.306
tors. eta vs tors. theta energy: -66.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -743.478649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.478649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.478649 (E_RNA)
where:
Base-Base interactions energy: -522.087
where: short stacking energy: -218.321
Base-Backbone interact. energy: -0.970
local terms energy: -220.421232
where:
bonds (distance) C4'-P energy: -45.255
bonds (distance) P-C4' energy: -42.260
flat angles C4'-P-C4' energy: -56.619
flat angles P-C4'-P energy: -19.194
tors. eta vs tors. theta energy: -57.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -616.635217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.635217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.635217 (E_RNA)
where:
Base-Base interactions energy: -402.983
where: short stacking energy: -171.434
Base-Backbone interact. energy: -0.495
local terms energy: -213.156754
where:
bonds (distance) C4'-P energy: -34.191
bonds (distance) P-C4' energy: -44.619
flat angles C4'-P-C4' energy: -49.553
flat angles P-C4'-P energy: -36.275
tors. eta vs tors. theta energy: -48.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -543.032798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.032798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.032798 (E_RNA)
where:
Base-Base interactions energy: -351.942
where: short stacking energy: -149.978
Base-Backbone interact. energy: -0.780
local terms energy: -190.311077
where:
bonds (distance) C4'-P energy: -35.185
bonds (distance) P-C4' energy: -58.515
flat angles C4'-P-C4' energy: -32.272
flat angles P-C4'-P energy: -31.124
tors. eta vs tors. theta energy: -33.215
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: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -218.584078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.584078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.584078 (E_RNA)
where:
Base-Base interactions energy: -71.257
where: short stacking energy: -55.477
Base-Backbone interact. energy: 1.284
local terms energy: -148.610862
where:
bonds (distance) C4'-P energy: -47.445
bonds (distance) P-C4' energy: -41.757
flat angles C4'-P-C4' energy: -40.780
flat angles P-C4'-P energy: -17.148
tors. eta vs tors. theta energy: -1.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -949.406996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.406996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.406996 (E_RNA)
where:
Base-Base interactions energy: -641.444
where: short stacking energy: -292.900
Base-Backbone interact. energy: -3.636
local terms energy: -304.326667
where:
bonds (distance) C4'-P energy: -51.733
bonds (distance) P-C4' energy: -54.797
flat angles C4'-P-C4' energy: -63.391
flat angles P-C4'-P energy: -44.818
tors. eta vs tors. theta energy: -89.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -893.403336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.403336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.403336 (E_RNA)
where:
Base-Base interactions energy: -623.142
where: short stacking energy: -266.885
Base-Backbone interact. energy: -0.068
local terms energy: -270.193479
where:
bonds (distance) C4'-P energy: -46.868
bonds (distance) P-C4' energy: -56.084
flat angles C4'-P-C4' energy: -50.739
flat angles P-C4'-P energy: -42.772
tors. eta vs tors. theta energy: -73.730
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: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -909.953627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.953627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.953627 (E_RNA)
where:
Base-Base interactions energy: -633.062
where: short stacking energy: -276.146
Base-Backbone interact. energy: -2.147
local terms energy: -274.744585
where:
bonds (distance) C4'-P energy: -41.795
bonds (distance) P-C4' energy: -48.576
flat angles C4'-P-C4' energy: -62.117
flat angles P-C4'-P energy: -40.616
tors. eta vs tors. theta energy: -81.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -810.656779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.656779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.656779 (E_RNA)
where:
Base-Base interactions energy: -568.104
where: short stacking energy: -250.707
Base-Backbone interact. energy: -0.264
local terms energy: -242.288503
where:
bonds (distance) C4'-P energy: -55.866
bonds (distance) P-C4' energy: -39.241
flat angles C4'-P-C4' energy: -52.189
flat angles P-C4'-P energy: -29.951
tors. eta vs tors. theta energy: -65.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -799.688925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.688925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.688925 (E_RNA)
where:
Base-Base interactions energy: -554.070
where: short stacking energy: -242.729
Base-Backbone interact. energy: 4.933
local terms energy: -250.551599
where:
bonds (distance) C4'-P energy: -43.692
bonds (distance) P-C4' energy: -52.693
flat angles C4'-P-C4' energy: -53.079
flat angles P-C4'-P energy: -30.064
tors. eta vs tors. theta energy: -71.024
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: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -763.748548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.748548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.748548 (E_RNA)
where:
Base-Base interactions energy: -516.570
where: short stacking energy: -211.017
Base-Backbone interact. energy: 0.205
local terms energy: -247.383161
where:
bonds (distance) C4'-P energy: -51.478
bonds (distance) P-C4' energy: -46.320
flat angles C4'-P-C4' energy: -53.413
flat angles P-C4'-P energy: -36.606
tors. eta vs tors. theta energy: -59.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -722.205150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.205150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.205150 (E_RNA)
where:
Base-Base interactions energy: -492.489
where: short stacking energy: -194.925
Base-Backbone interact. energy: 2.997
local terms energy: -232.713041
where:
bonds (distance) C4'-P energy: -37.651
bonds (distance) P-C4' energy: -53.754
flat angles C4'-P-C4' energy: -56.496
flat angles P-C4'-P energy: -33.096
tors. eta vs tors. theta energy: -51.717
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: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -640.495210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.495210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.495210 (E_RNA)
where:
Base-Base interactions energy: -437.833
where: short stacking energy: -193.464
Base-Backbone interact. energy: -0.281
local terms energy: -202.381206
where:
bonds (distance) C4'-P energy: -27.119
bonds (distance) P-C4' energy: -52.010
flat angles C4'-P-C4' energy: -42.636
flat angles P-C4'-P energy: -36.250
tors. eta vs tors. theta energy: -44.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -538.426189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.426189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.426189 (E_RNA)
where:
Base-Base interactions energy: -358.819
where: short stacking energy: -145.597
Base-Backbone interact. energy: -1.246
local terms energy: -178.360936
where:
bonds (distance) C4'-P energy: -37.147
bonds (distance) P-C4' energy: -44.549
flat angles C4'-P-C4' energy: -50.308
flat angles P-C4'-P energy: -24.144
tors. eta vs tors. theta energy: -22.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -229.651345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.651345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.651345 (E_RNA)
where:
Base-Base interactions energy: -87.607
where: short stacking energy: -78.725
Base-Backbone interact. energy: -0.947
local terms energy: -141.097452
where:
bonds (distance) C4'-P energy: -40.351
bonds (distance) P-C4' energy: -43.506
flat angles C4'-P-C4' energy: -44.337
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -960.537276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.537276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.537276 (E_RNA)
where:
Base-Base interactions energy: -652.246
where: short stacking energy: -269.107
Base-Backbone interact. energy: -1.214
local terms energy: -307.077041
where:
bonds (distance) C4'-P energy: -60.898
bonds (distance) P-C4' energy: -51.447
flat angles C4'-P-C4' energy: -62.093
flat angles P-C4'-P energy: -45.122
tors. eta vs tors. theta energy: -87.516
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: 271
Temperature: 0.950000
Total energy: -931.328715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.328715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.328715 (E_RNA)
where:
Base-Base interactions energy: -638.135
where: short stacking energy: -273.693
Base-Backbone interact. energy: -0.403
local terms energy: -292.790562
where:
bonds (distance) C4'-P energy: -50.128
bonds (distance) P-C4' energy: -51.049
flat angles C4'-P-C4' energy: -62.713
flat angles P-C4'-P energy: -51.053
tors. eta vs tors. theta energy: -77.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -885.126881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.126881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.126881 (E_RNA)
where:
Base-Base interactions energy: -599.247
where: short stacking energy: -253.789
Base-Backbone interact. energy: -0.482
local terms energy: -285.398426
where:
bonds (distance) C4'-P energy: -49.990
bonds (distance) P-C4' energy: -57.060
flat angles C4'-P-C4' energy: -58.106
flat angles P-C4'-P energy: -41.477
tors. eta vs tors. theta energy: -78.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -800.318331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.318331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.318331 (E_RNA)
where:
Base-Base interactions energy: -531.288
where: short stacking energy: -225.821
Base-Backbone interact. energy: -1.023
local terms energy: -268.006534
where:
bonds (distance) C4'-P energy: -49.885
bonds (distance) P-C4' energy: -50.951
flat angles C4'-P-C4' energy: -57.843
flat angles P-C4'-P energy: -37.107
tors. eta vs tors. theta energy: -72.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -825.564515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.564515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.564515 (E_RNA)
where:
Base-Base interactions energy: -575.875
where: short stacking energy: -253.892
Base-Backbone interact. energy: 0.219
local terms energy: -249.908529
where:
bonds (distance) C4'-P energy: -45.808
bonds (distance) P-C4' energy: -44.553
flat angles C4'-P-C4' energy: -54.864
flat angles P-C4'-P energy: -33.424
tors. eta vs tors. theta energy: -71.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -781.641295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.641295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.641295 (E_RNA)
where:
Base-Base interactions energy: -530.544
where: short stacking energy: -231.039
Base-Backbone interact. energy: -0.260
local terms energy: -250.837030
where:
bonds (distance) C4'-P energy: -42.485
bonds (distance) P-C4' energy: -45.457
flat angles C4'-P-C4' energy: -50.646
flat angles P-C4'-P energy: -40.480
tors. eta vs tors. theta energy: -71.769
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: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -718.315095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.315095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.315095 (E_RNA)
where:
Base-Base interactions energy: -495.664
where: short stacking energy: -197.426
Base-Backbone interact. energy: -2.023
local terms energy: -220.628710
where:
bonds (distance) C4'-P energy: -40.903
bonds (distance) P-C4' energy: -54.364
flat angles C4'-P-C4' energy: -47.407
flat angles P-C4'-P energy: -32.170
tors. eta vs tors. theta energy: -45.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -616.575299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.575299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.575299 (E_RNA)
where:
Base-Base interactions energy: -407.431
where: short stacking energy: -173.119
Base-Backbone interact. energy: -0.654
local terms energy: -208.490300
where:
bonds (distance) C4'-P energy: -40.421
bonds (distance) P-C4' energy: -43.825
flat angles C4'-P-C4' energy: -40.480
flat angles P-C4'-P energy: -33.151
tors. eta vs tors. theta energy: -50.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -523.647766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.647766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.647766 (E_RNA)
where:
Base-Base interactions energy: -318.057
where: short stacking energy: -143.748
Base-Backbone interact. energy: -0.794
local terms energy: -204.796434
where:
bonds (distance) C4'-P energy: -51.526
bonds (distance) P-C4' energy: -37.372
flat angles C4'-P-C4' energy: -41.254
flat angles P-C4'-P energy: -25.755
tors. eta vs tors. theta energy: -48.889
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: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -223.293224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.293224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.293224 (E_RNA)
where:
Base-Base interactions energy: -79.294
where: short stacking energy: -65.188
Base-Backbone interact. energy: 3.671
local terms energy: -147.670002
where:
bonds (distance) C4'-P energy: -43.024
bonds (distance) P-C4' energy: -43.719
flat angles C4'-P-C4' energy: -39.163
flat angles P-C4'-P energy: -27.229
tors. eta vs tors. theta energy: 5.465
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: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -963.111171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.111171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.111171 (E_RNA)
where:
Base-Base interactions energy: -681.341
where: short stacking energy: -302.075
Base-Backbone interact. energy: 1.041
local terms energy: -282.811377
where:
bonds (distance) C4'-P energy: -46.451
bonds (distance) P-C4' energy: -42.506
flat angles C4'-P-C4' energy: -63.360
flat angles P-C4'-P energy: -40.576
tors. eta vs tors. theta energy: -89.918
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: 272
Temperature: 0.950000
Total energy: -916.924363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.924363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.924363 (E_RNA)
where:
Base-Base interactions energy: -625.567
where: short stacking energy: -289.202
Base-Backbone interact. energy: -0.710
local terms energy: -290.647454
where:
bonds (distance) C4'-P energy: -54.089
bonds (distance) P-C4' energy: -49.581
flat angles C4'-P-C4' energy: -60.940
flat angles P-C4'-P energy: -39.291
tors. eta vs tors. theta energy: -86.747
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: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -884.736532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.736532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.736532 (E_RNA)
where:
Base-Base interactions energy: -610.182
where: short stacking energy: -244.553
Base-Backbone interact. energy: -0.754
local terms energy: -273.800196
where:
bonds (distance) C4'-P energy: -47.940
bonds (distance) P-C4' energy: -54.162
flat angles C4'-P-C4' energy: -62.323
flat angles P-C4'-P energy: -40.767
tors. eta vs tors. theta energy: -68.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -798.796145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.796145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.796145 (E_RNA)
where:
Base-Base interactions energy: -545.625
where: short stacking energy: -230.266
Base-Backbone interact. energy: -0.310
local terms energy: -252.860835
where:
bonds (distance) C4'-P energy: -51.636
bonds (distance) P-C4' energy: -55.527
flat angles C4'-P-C4' energy: -51.365
flat angles P-C4'-P energy: -34.015
tors. eta vs tors. theta energy: -60.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -793.873090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.873090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.873090 (E_RNA)
where:
Base-Base interactions energy: -541.439
where: short stacking energy: -237.027
Base-Backbone interact. energy: -0.890
local terms energy: -251.544707
where:
bonds (distance) C4'-P energy: -40.462
bonds (distance) P-C4' energy: -45.964
flat angles C4'-P-C4' energy: -66.243
flat angles P-C4'-P energy: -36.556
tors. eta vs tors. theta energy: -62.321
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: 2
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -750.839007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.839007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.839007 (E_RNA)
where:
Base-Base interactions energy: -515.884
where: short stacking energy: -223.407
Base-Backbone interact. energy: -0.571
local terms energy: -234.383765
where:
bonds (distance) C4'-P energy: -49.029
bonds (distance) P-C4' energy: -44.579
flat angles C4'-P-C4' energy: -43.144
flat angles P-C4'-P energy: -38.007
tors. eta vs tors. theta energy: -59.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -712.936848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.936848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.936848 (E_RNA)
where:
Base-Base interactions energy: -480.020
where: short stacking energy: -191.896
Base-Backbone interact. energy: -1.571
local terms energy: -231.345668
where:
bonds (distance) C4'-P energy: -46.587
bonds (distance) P-C4' energy: -51.976
flat angles C4'-P-C4' energy: -51.509
flat angles P-C4'-P energy: -36.957
tors. eta vs tors. theta energy: -44.317
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: 8, replica: 4
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -613.893990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.893990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.893990 (E_RNA)
where:
Base-Base interactions energy: -409.984
where: short stacking energy: -188.890
Base-Backbone interact. energy: 3.296
local terms energy: -207.206241
where:
bonds (distance) C4'-P energy: -44.508
bonds (distance) P-C4' energy: -40.576
flat angles C4'-P-C4' energy: -49.365
flat angles P-C4'-P energy: -26.314
tors. eta vs tors. theta energy: -46.443
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: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -520.659379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.659379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.659379 (E_RNA)
where:
Base-Base interactions energy: -317.810
where: short stacking energy: -134.906
Base-Backbone interact. energy: -1.552
local terms energy: -201.296720
where:
bonds (distance) C4'-P energy: -52.635
bonds (distance) P-C4' energy: -45.884
flat angles C4'-P-C4' energy: -36.966
flat angles P-C4'-P energy: -32.817
tors. eta vs tors. theta energy: -32.996
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: 272
Temperature: 1.350000
Total energy: -228.292825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.292825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.292825 (E_RNA)
where:
Base-Base interactions energy: -87.362
where: short stacking energy: -66.507
Base-Backbone interact. energy: 0.704
local terms energy: -141.634835
where:
bonds (distance) C4'-P energy: -43.083
bonds (distance) P-C4' energy: -46.497
flat angles C4'-P-C4' energy: -34.622
flat angles P-C4'-P energy: -27.009
tors. eta vs tors. theta energy: 9.576
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: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -956.616081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.616081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.616081 (E_RNA)
where:
Base-Base interactions energy: -653.165
where: short stacking energy: -283.466
Base-Backbone interact. energy: 0.513
local terms energy: -303.964206
where:
bonds (distance) C4'-P energy: -53.163
bonds (distance) P-C4' energy: -59.111
flat angles C4'-P-C4' energy: -58.942
flat angles P-C4'-P energy: -42.059
tors. eta vs tors. theta energy: -90.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -957.324107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.324107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.324107 (E_RNA)
where:
Base-Base interactions energy: -666.009
where: short stacking energy: -275.423
Base-Backbone interact. energy: -0.817
local terms energy: -290.498452
where:
bonds (distance) C4'-P energy: -52.604
bonds (distance) P-C4' energy: -54.574
flat angles C4'-P-C4' energy: -57.371
flat angles P-C4'-P energy: -45.345
tors. eta vs tors. theta energy: -80.604
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: 3, replica: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -893.665899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.665899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.665899 (E_RNA)
where:
Base-Base interactions energy: -620.917
where: short stacking energy: -264.886
Base-Backbone interact. energy: -1.587
local terms energy: -271.161755
where:
bonds (distance) C4'-P energy: -45.961
bonds (distance) P-C4' energy: -47.063
flat angles C4'-P-C4' energy: -57.321
flat angles P-C4'-P energy: -38.784
tors. eta vs tors. theta energy: -82.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -816.679054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.679054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.679054 (E_RNA)
where:
Base-Base interactions energy: -549.632
where: short stacking energy: -232.786
Base-Backbone interact. energy: -0.138
local terms energy: -266.908808
where:
bonds (distance) C4'-P energy: -48.954
bonds (distance) P-C4' energy: -57.265
flat angles C4'-P-C4' energy: -57.718
flat angles P-C4'-P energy: -32.619
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: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -797.610141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.610141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.610141 (E_RNA)
where:
Base-Base interactions energy: -559.735
where: short stacking energy: -228.213
Base-Backbone interact. energy: -1.223
local terms energy: -236.652919
where:
bonds (distance) C4'-P energy: -44.259
bonds (distance) P-C4' energy: -42.393
flat angles C4'-P-C4' energy: -59.035
flat angles P-C4'-P energy: -29.362
tors. eta vs tors. theta energy: -61.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -783.743726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.743726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.743726 (E_RNA)
where:
Base-Base interactions energy: -549.965
where: short stacking energy: -227.845
Base-Backbone interact. energy: -0.496
local terms energy: -233.283060
where:
bonds (distance) C4'-P energy: -40.378
bonds (distance) P-C4' energy: -38.732
flat angles C4'-P-C4' energy: -51.294
flat angles P-C4'-P energy: -37.157
tors. eta vs tors. theta energy: -65.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -737.387440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.387440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.387440 (E_RNA)
where:
Base-Base interactions energy: -510.084
where: short stacking energy: -207.558
Base-Backbone interact. energy: -1.433
local terms energy: -225.870393
where:
bonds (distance) C4'-P energy: -42.121
bonds (distance) P-C4' energy: -55.035
flat angles C4'-P-C4' energy: -46.283
flat angles P-C4'-P energy: -28.222
tors. eta vs tors. theta energy: -54.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -609.160072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.160072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.160072 (E_RNA)
where:
Base-Base interactions energy: -391.412
where: short stacking energy: -165.830
Base-Backbone interact. energy: -0.078
local terms energy: -217.669349
where:
bonds (distance) C4'-P energy: -55.352
bonds (distance) P-C4' energy: -41.668
flat angles C4'-P-C4' energy: -42.997
flat angles P-C4'-P energy: -31.552
tors. eta vs tors. theta energy: -46.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -525.508776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.508776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.508776 (E_RNA)
where:
Base-Base interactions energy: -337.845
where: short stacking energy: -131.200
Base-Backbone interact. energy: -1.475
local terms energy: -186.188038
where:
bonds (distance) C4'-P energy: -36.431
bonds (distance) P-C4' energy: -51.223
flat angles C4'-P-C4' energy: -33.846
flat angles P-C4'-P energy: -34.425
tors. eta vs tors. theta energy: -30.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -227.122304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.122304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.122304 (E_RNA)
where:
Base-Base interactions energy: -74.851
where: short stacking energy: -67.636
Base-Backbone interact. energy: 2.267
local terms energy: -154.538558
where:
bonds (distance) C4'-P energy: -45.656
bonds (distance) P-C4' energy: -52.494
flat angles C4'-P-C4' energy: -35.708
flat angles P-C4'-P energy: -26.447
tors. eta vs tors. theta energy: 5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -945.503668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.503668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.503668 (E_RNA)
where:
Base-Base interactions energy: -651.522
where: short stacking energy: -286.617
Base-Backbone interact. energy: -1.899
local terms energy: -292.082546
where:
bonds (distance) C4'-P energy: -51.981
bonds (distance) P-C4' energy: -52.373
flat angles C4'-P-C4' energy: -59.293
flat angles P-C4'-P energy: -42.724
tors. eta vs tors. theta energy: -85.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -939.825868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.825868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.825868 (E_RNA)
where:
Base-Base interactions energy: -668.170
where: short stacking energy: -294.649
Base-Backbone interact. energy: -0.506
local terms energy: -271.149824
where:
bonds (distance) C4'-P energy: -45.940
bonds (distance) P-C4' energy: -51.432
flat angles C4'-P-C4' energy: -54.905
flat angles P-C4'-P energy: -38.141
tors. eta vs tors. theta energy: -80.732
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: 3, replica: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -855.208253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.208253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.208253 (E_RNA)
where:
Base-Base interactions energy: -589.723
where: short stacking energy: -251.417
Base-Backbone interact. energy: -0.991
local terms energy: -264.494397
where:
bonds (distance) C4'-P energy: -43.618
bonds (distance) P-C4' energy: -54.778
flat angles C4'-P-C4' energy: -55.188
flat angles P-C4'-P energy: -38.840
tors. eta vs tors. theta energy: -72.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -850.872051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.872051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.872051 (E_RNA)
where:
Base-Base interactions energy: -577.302
where: short stacking energy: -262.439
Base-Backbone interact. energy: -0.364
local terms energy: -273.205992
where:
bonds (distance) C4'-P energy: -51.416
bonds (distance) P-C4' energy: -52.596
flat angles C4'-P-C4' energy: -57.035
flat angles P-C4'-P energy: -36.766
tors. eta vs tors. theta energy: -75.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -802.603915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.603915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.603915 (E_RNA)
where:
Base-Base interactions energy: -550.520
where: short stacking energy: -232.076
Base-Backbone interact. energy: -1.221
local terms energy: -250.862957
where:
bonds (distance) C4'-P energy: -46.200
bonds (distance) P-C4' energy: -41.529
flat angles C4'-P-C4' energy: -57.316
flat angles P-C4'-P energy: -36.547
tors. eta vs tors. theta energy: -69.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -786.283545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.283545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.283545 (E_RNA)
where:
Base-Base interactions energy: -539.762
where: short stacking energy: -221.251
Base-Backbone interact. energy: 1.923
local terms energy: -248.444364
where:
bonds (distance) C4'-P energy: -46.406
bonds (distance) P-C4' energy: -44.720
flat angles C4'-P-C4' energy: -56.940
flat angles P-C4'-P energy: -34.565
tors. eta vs tors. theta energy: -65.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -734.103668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.103668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.103668 (E_RNA)
where:
Base-Base interactions energy: -505.399
where: short stacking energy: -209.638
Base-Backbone interact. energy: -0.715
local terms energy: -227.989162
where:
bonds (distance) C4'-P energy: -39.063
bonds (distance) P-C4' energy: -46.515
flat angles C4'-P-C4' energy: -46.787
flat angles P-C4'-P energy: -36.887
tors. eta vs tors. theta energy: -58.737
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: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -613.351700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.351700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.351700 (E_RNA)
where:
Base-Base interactions energy: -416.715
where: short stacking energy: -183.480
Base-Backbone interact. energy: -0.643
local terms energy: -195.993745
where:
bonds (distance) C4'-P energy: -40.770
bonds (distance) P-C4' energy: -43.675
flat angles C4'-P-C4' energy: -51.482
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -41.711
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: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -544.305400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.305400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.305400 (E_RNA)
where:
Base-Base interactions energy: -357.598
where: short stacking energy: -160.352
Base-Backbone interact. energy: -1.584
local terms energy: -185.122881
where:
bonds (distance) C4'-P energy: -40.349
bonds (distance) P-C4' energy: -44.413
flat angles C4'-P-C4' energy: -44.705
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -34.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -225.247731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.247731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.247731 (E_RNA)
where:
Base-Base interactions energy: -93.136
where: short stacking energy: -80.687
Base-Backbone interact. energy: -0.269
local terms energy: -131.843294
where:
bonds (distance) C4'-P energy: -44.933
bonds (distance) P-C4' energy: -34.831
flat angles C4'-P-C4' energy: -32.806
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -969.474145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.474145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.474145 (E_RNA)
where:
Base-Base interactions energy: -665.644
where: short stacking energy: -304.656
Base-Backbone interact. energy: -0.668
local terms energy: -303.162202
where:
bonds (distance) C4'-P energy: -47.914
bonds (distance) P-C4' energy: -55.696
flat angles C4'-P-C4' energy: -61.698
flat angles P-C4'-P energy: -43.240
tors. eta vs tors. theta energy: -94.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -934.863904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.863904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.863904 (E_RNA)
where:
Base-Base interactions energy: -650.565
where: short stacking energy: -275.144
Base-Backbone interact. energy: 0.912
local terms energy: -285.210954
where:
bonds (distance) C4'-P energy: -50.466
bonds (distance) P-C4' energy: -53.467
flat angles C4'-P-C4' energy: -59.742
flat angles P-C4'-P energy: -40.706
tors. eta vs tors. theta energy: -80.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -860.327038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.327038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.327038 (E_RNA)
where:
Base-Base interactions energy: -586.022
where: short stacking energy: -259.939
Base-Backbone interact. energy: -0.482
local terms energy: -273.823122
where:
bonds (distance) C4'-P energy: -53.519
bonds (distance) P-C4' energy: -51.541
flat angles C4'-P-C4' energy: -57.650
flat angles P-C4'-P energy: -32.371
tors. eta vs tors. theta energy: -78.741
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: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -846.363782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.363782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.363782 (E_RNA)
where:
Base-Base interactions energy: -567.889
where: short stacking energy: -260.063
Base-Backbone interact. energy: 0.961
local terms energy: -279.435187
where:
bonds (distance) C4'-P energy: -50.276
bonds (distance) P-C4' energy: -49.997
flat angles C4'-P-C4' energy: -63.323
flat angles P-C4'-P energy: -39.069
tors. eta vs tors. theta energy: -76.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -799.165492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.165492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.165492 (E_RNA)
where:
Base-Base interactions energy: -550.215
where: short stacking energy: -234.855
Base-Backbone interact. energy: -0.376
local terms energy: -248.574552
where:
bonds (distance) C4'-P energy: -40.122
bonds (distance) P-C4' energy: -49.940
flat angles C4'-P-C4' energy: -49.936
flat angles P-C4'-P energy: -37.892
tors. eta vs tors. theta energy: -70.685
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: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -780.987110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.987110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.987110 (E_RNA)
where:
Base-Base interactions energy: -526.845
where: short stacking energy: -217.279
Base-Backbone interact. energy: -2.110
local terms energy: -252.032599
where:
bonds (distance) C4'-P energy: -49.297
bonds (distance) P-C4' energy: -51.555
flat angles C4'-P-C4' energy: -54.108
flat angles P-C4'-P energy: -32.548
tors. eta vs tors. theta energy: -64.525
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: 9
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -750.500885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.500885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.500885 (E_RNA)
where:
Base-Base interactions energy: -508.428
where: short stacking energy: -217.023
Base-Backbone interact. energy: -0.891
local terms energy: -241.181834
where:
bonds (distance) C4'-P energy: -41.903
bonds (distance) P-C4' energy: -44.495
flat angles C4'-P-C4' energy: -51.221
flat angles P-C4'-P energy: -41.326
tors. eta vs tors. theta energy: -62.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -554.876664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.876664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.876664 (E_RNA)
where:
Base-Base interactions energy: -347.081
where: short stacking energy: -149.692
Base-Backbone interact. energy: -0.414
local terms energy: -207.381492
where:
bonds (distance) C4'-P energy: -49.740
bonds (distance) P-C4' energy: -44.906
flat angles C4'-P-C4' energy: -49.716
flat angles P-C4'-P energy: -30.660
tors. eta vs tors. theta energy: -32.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -628.626359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.626359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.626359 (E_RNA)
where:
Base-Base interactions energy: -421.298
where: short stacking energy: -178.345
Base-Backbone interact. energy: -0.341
local terms energy: -206.987379
where:
bonds (distance) C4'-P energy: -43.415
bonds (distance) P-C4' energy: -41.936
flat angles C4'-P-C4' energy: -40.506
flat angles P-C4'-P energy: -28.662
tors. eta vs tors. theta energy: -52.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -220.906226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.906226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.906226 (E_RNA)
where:
Base-Base interactions energy: -96.796
where: short stacking energy: -71.948
Base-Backbone interact. energy: -1.272
local terms energy: -122.838262
where:
bonds (distance) C4'-P energy: -40.245
bonds (distance) P-C4' energy: -44.096
flat angles C4'-P-C4' energy: -25.857
flat angles P-C4'-P energy: -19.764
tors. eta vs tors. theta energy: 7.124
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: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -971.759738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.759738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.759738 (E_RNA)
where:
Base-Base interactions energy: -669.751
where: short stacking energy: -298.349
Base-Backbone interact. energy: -0.119
local terms energy: -301.889448
where:
bonds (distance) C4'-P energy: -54.902
bonds (distance) P-C4' energy: -55.245
flat angles C4'-P-C4' energy: -62.662
flat angles P-C4'-P energy: -38.766
tors. eta vs tors. theta energy: -90.315
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: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -956.051669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.051669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.051669 (E_RNA)
where:
Base-Base interactions energy: -652.516
where: short stacking energy: -272.975
Base-Backbone interact. energy: -2.132
local terms energy: -301.403606
where:
bonds (distance) C4'-P energy: -52.560
bonds (distance) P-C4' energy: -54.936
flat angles C4'-P-C4' energy: -59.950
flat angles P-C4'-P energy: -44.628
tors. eta vs tors. theta energy: -89.330
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: 8
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -846.664979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.664979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.664979 (E_RNA)
where:
Base-Base interactions energy: -578.809
where: short stacking energy: -243.548
Base-Backbone interact. energy: -0.591
local terms energy: -267.265830
where:
bonds (distance) C4'-P energy: -42.554
bonds (distance) P-C4' energy: -52.675
flat angles C4'-P-C4' energy: -57.136
flat angles P-C4'-P energy: -42.559
tors. eta vs tors. theta energy: -72.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -820.334881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.334881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.334881 (E_RNA)
where:
Base-Base interactions energy: -558.713
where: short stacking energy: -253.033
Base-Backbone interact. energy: 4.186
local terms energy: -265.808200
where:
bonds (distance) C4'-P energy: -51.194
bonds (distance) P-C4' energy: -50.876
flat angles C4'-P-C4' energy: -54.215
flat angles P-C4'-P energy: -38.581
tors. eta vs tors. theta energy: -70.942
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: 5, replica: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -815.711357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.711357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.711357 (E_RNA)
where:
Base-Base interactions energy: -559.975
where: short stacking energy: -234.971
Base-Backbone interact. energy: -0.330
local terms energy: -255.405971
where:
bonds (distance) C4'-P energy: -50.914
bonds (distance) P-C4' energy: -48.348
flat angles C4'-P-C4' energy: -54.485
flat angles P-C4'-P energy: -30.869
tors. eta vs tors. theta energy: -70.790
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: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -737.561142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.561142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.561142 (E_RNA)
where:
Base-Base interactions energy: -508.491
where: short stacking energy: -225.287
Base-Backbone interact. energy: -0.549
local terms energy: -228.520667
where:
bonds (distance) C4'-P energy: -47.288
bonds (distance) P-C4' energy: -45.194
flat angles C4'-P-C4' energy: -42.124
flat angles P-C4'-P energy: -31.955
tors. eta vs tors. theta energy: -61.959
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: 9
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -763.496943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.496943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.496943 (E_RNA)
where:
Base-Base interactions energy: -534.990
where: short stacking energy: -212.053
Base-Backbone interact. energy: -0.653
local terms energy: -227.853976
where:
bonds (distance) C4'-P energy: -46.054
bonds (distance) P-C4' energy: -38.623
flat angles C4'-P-C4' energy: -46.060
flat angles P-C4'-P energy: -33.627
tors. eta vs tors. theta energy: -63.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -558.483696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.483696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.483696 (E_RNA)
where:
Base-Base interactions energy: -358.067
where: short stacking energy: -149.382
Base-Backbone interact. energy: -0.006
local terms energy: -200.410920
where:
bonds (distance) C4'-P energy: -41.717
bonds (distance) P-C4' energy: -51.376
flat angles C4'-P-C4' energy: -44.104
flat angles P-C4'-P energy: -31.105
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: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -656.074017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.074017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.074017 (E_RNA)
where:
Base-Base interactions energy: -458.802
where: short stacking energy: -187.344
Base-Backbone interact. energy: 0.311
local terms energy: -197.582657
where:
bonds (distance) C4'-P energy: -38.687
bonds (distance) P-C4' energy: -37.258
flat angles C4'-P-C4' energy: -46.599
flat angles P-C4'-P energy: -18.384
tors. eta vs tors. theta energy: -56.655
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: 276
Temperature: 1.350000
Total energy: -219.432914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.432914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.432914 (E_RNA)
where:
Base-Base interactions energy: -79.908
where: short stacking energy: -70.362
Base-Backbone interact. energy: 2.198
local terms energy: -141.722255
where:
bonds (distance) C4'-P energy: -33.273
bonds (distance) P-C4' energy: -53.576
flat angles C4'-P-C4' energy: -38.740
flat angles P-C4'-P energy: -19.696
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: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -962.062446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.062446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.062446 (E_RNA)
where:
Base-Base interactions energy: -670.452
where: short stacking energy: -294.115
Base-Backbone interact. energy: 0.334
local terms energy: -291.944786
where:
bonds (distance) C4'-P energy: -50.307
bonds (distance) P-C4' energy: -53.590
flat angles C4'-P-C4' energy: -60.038
flat angles P-C4'-P energy: -41.236
tors. eta vs tors. theta energy: -86.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -953.772265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.772265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.772265 (E_RNA)
where:
Base-Base interactions energy: -663.485
where: short stacking energy: -300.063
Base-Backbone interact. energy: -0.995
local terms energy: -289.291578
where:
bonds (distance) C4'-P energy: -50.177
bonds (distance) P-C4' energy: -53.503
flat angles C4'-P-C4' energy: -62.157
flat angles P-C4'-P energy: -36.899
tors. eta vs tors. theta energy: -86.555
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: 8
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -853.972045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.972045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.972045 (E_RNA)
where:
Base-Base interactions energy: -584.137
where: short stacking energy: -256.026
Base-Backbone interact. energy: -0.554
local terms energy: -269.280859
where:
bonds (distance) C4'-P energy: -47.085
bonds (distance) P-C4' energy: -49.344
flat angles C4'-P-C4' energy: -63.981
flat angles P-C4'-P energy: -40.318
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: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -813.480278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.480278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.480278 (E_RNA)
where:
Base-Base interactions energy: -560.370
where: short stacking energy: -251.130
Base-Backbone interact. energy: -0.265
local terms energy: -252.845481
where:
bonds (distance) C4'-P energy: -53.453
bonds (distance) P-C4' energy: -43.388
flat angles C4'-P-C4' energy: -47.300
flat angles P-C4'-P energy: -41.822
tors. eta vs tors. theta energy: -66.883
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: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -802.031528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.031528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.031528 (E_RNA)
where:
Base-Base interactions energy: -559.716
where: short stacking energy: -250.074
Base-Backbone interact. energy: 0.769
local terms energy: -243.083982
where:
bonds (distance) C4'-P energy: -43.611
bonds (distance) P-C4' energy: -44.376
flat angles C4'-P-C4' energy: -52.591
flat angles P-C4'-P energy: -33.579
tors. eta vs tors. theta energy: -68.926
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: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -752.955381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.955381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.955381 (E_RNA)
where:
Base-Base interactions energy: -526.940
where: short stacking energy: -207.411
Base-Backbone interact. energy: -0.166
local terms energy: -225.849157
where:
bonds (distance) C4'-P energy: -41.514
bonds (distance) P-C4' energy: -41.673
flat angles C4'-P-C4' energy: -48.874
flat angles P-C4'-P energy: -38.815
tors. eta vs tors. theta energy: -54.974
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: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -726.313437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.313437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.313437 (E_RNA)
where:
Base-Base interactions energy: -498.030
where: short stacking energy: -197.180
Base-Backbone interact. energy: -1.028
local terms energy: -227.255398
where:
bonds (distance) C4'-P energy: -33.239
bonds (distance) P-C4' energy: -44.577
flat angles C4'-P-C4' energy: -52.660
flat angles P-C4'-P energy: -32.803
tors. eta vs tors. theta energy: -63.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -628.194775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.194775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.194775 (E_RNA)
where:
Base-Base interactions energy: -409.413
where: short stacking energy: -181.141
Base-Backbone interact. energy: 0.688
local terms energy: -219.469770
where:
bonds (distance) C4'-P energy: -46.018
bonds (distance) P-C4' energy: -43.107
flat angles C4'-P-C4' energy: -54.861
flat angles P-C4'-P energy: -29.927
tors. eta vs tors. theta energy: -45.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -575.311071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.311071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.311071 (E_RNA)
where:
Base-Base interactions energy: -360.712
where: short stacking energy: -169.202
Base-Backbone interact. energy: -0.458
local terms energy: -214.141593
where:
bonds (distance) C4'-P energy: -39.349
bonds (distance) P-C4' energy: -52.222
flat angles C4'-P-C4' energy: -59.080
flat angles P-C4'-P energy: -30.082
tors. eta vs tors. theta energy: -33.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -219.754844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.754844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.754844 (E_RNA)
where:
Base-Base interactions energy: -81.660
where: short stacking energy: -74.066
Base-Backbone interact. energy: 1.162
local terms energy: -139.257123
where:
bonds (distance) C4'-P energy: -37.710
bonds (distance) P-C4' energy: -48.063
flat angles C4'-P-C4' energy: -39.837
flat angles P-C4'-P energy: -22.344
tors. eta vs tors. theta energy: 8.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -953.692123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.692123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.692123 (E_RNA)
where:
Base-Base interactions energy: -649.372
where: short stacking energy: -281.561
Base-Backbone interact. energy: -1.363
local terms energy: -302.956707
where:
bonds (distance) C4'-P energy: -52.919
bonds (distance) P-C4' energy: -57.663
flat angles C4'-P-C4' energy: -58.017
flat angles P-C4'-P energy: -41.843
tors. eta vs tors. theta energy: -92.515
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: 2, replica: 3
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -940.189047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.189047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.189047 (E_RNA)
where:
Base-Base interactions energy: -646.973
where: short stacking energy: -291.583
Base-Backbone interact. energy: -1.328
local terms energy: -291.887950
where:
bonds (distance) C4'-P energy: -52.250
bonds (distance) P-C4' energy: -55.016
flat angles C4'-P-C4' energy: -60.799
flat angles P-C4'-P energy: -37.370
tors. eta vs tors. theta energy: -86.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -854.081817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.081817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.081817 (E_RNA)
where:
Base-Base interactions energy: -585.490
where: short stacking energy: -261.871
Base-Backbone interact. energy: -0.956
local terms energy: -267.635268
where:
bonds (distance) C4'-P energy: -58.775
bonds (distance) P-C4' energy: -39.128
flat angles C4'-P-C4' energy: -59.801
flat angles P-C4'-P energy: -36.694
tors. eta vs tors. theta energy: -73.237
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: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -829.730466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.730466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.730466 (E_RNA)
where:
Base-Base interactions energy: -564.152
where: short stacking energy: -260.099
Base-Backbone interact. energy: -0.562
local terms energy: -265.016253
where:
bonds (distance) C4'-P energy: -42.252
bonds (distance) P-C4' energy: -55.030
flat angles C4'-P-C4' energy: -58.156
flat angles P-C4'-P energy: -37.004
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: 5, replica: 2
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -800.627253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.627253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.627253 (E_RNA)
where:
Base-Base interactions energy: -544.234
where: short stacking energy: -231.310
Base-Backbone interact. energy: -1.339
local terms energy: -255.054850
where:
bonds (distance) C4'-P energy: -46.145
bonds (distance) P-C4' energy: -53.032
flat angles C4'-P-C4' energy: -54.329
flat angles P-C4'-P energy: -37.899
tors. eta vs tors. theta energy: -63.650
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: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -766.901999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.901999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.901999 (E_RNA)
where:
Base-Base interactions energy: -538.728
where: short stacking energy: -218.063
Base-Backbone interact. energy: -0.376
local terms energy: -227.797635
where:
bonds (distance) C4'-P energy: -52.828
bonds (distance) P-C4' energy: -34.512
flat angles C4'-P-C4' energy: -57.985
flat angles P-C4'-P energy: -29.855
tors. eta vs tors. theta energy: -52.618
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: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -705.888594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.888594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.888594 (E_RNA)
where:
Base-Base interactions energy: -479.187
where: short stacking energy: -181.038
Base-Backbone interact. energy: 0.209
local terms energy: -226.910195
where:
bonds (distance) C4'-P energy: -39.738
bonds (distance) P-C4' energy: -55.372
flat angles C4'-P-C4' energy: -44.134
flat angles P-C4'-P energy: -30.780
tors. eta vs tors. theta energy: -56.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -618.640244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.640244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.640244 (E_RNA)
where:
Base-Base interactions energy: -429.124
where: short stacking energy: -171.595
Base-Backbone interact. energy: -0.831
local terms energy: -188.685004
where:
bonds (distance) C4'-P energy: -38.740
bonds (distance) P-C4' energy: -38.807
flat angles C4'-P-C4' energy: -43.123
flat angles P-C4'-P energy: -30.737
tors. eta vs tors. theta energy: -37.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -556.121765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.121765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.121765 (E_RNA)
where:
Base-Base interactions energy: -362.458
where: short stacking energy: -158.288
Base-Backbone interact. energy: -1.299
local terms energy: -192.364498
where:
bonds (distance) C4'-P energy: -43.532
bonds (distance) P-C4' energy: -40.771
flat angles C4'-P-C4' energy: -42.583
flat angles P-C4'-P energy: -29.182
tors. eta vs tors. theta energy: -36.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -234.130941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.130941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.130941 (E_RNA)
where:
Base-Base interactions energy: -77.526
where: short stacking energy: -67.728
Base-Backbone interact. energy: 0.651
local terms energy: -157.256756
where:
bonds (distance) C4'-P energy: -46.153
bonds (distance) P-C4' energy: -55.570
flat angles C4'-P-C4' energy: -44.980
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: 6.677
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: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -972.247841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.247841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.247841 (E_RNA)
where:
Base-Base interactions energy: -672.589
where: short stacking energy: -302.846
Base-Backbone interact. energy: -0.664
local terms energy: -298.994601
where:
bonds (distance) C4'-P energy: -55.833
bonds (distance) P-C4' energy: -50.720
flat angles C4'-P-C4' energy: -61.151
flat angles P-C4'-P energy: -42.678
tors. eta vs tors. theta energy: -88.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -938.672664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.672664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.672664 (E_RNA)
where:
Base-Base interactions energy: -650.231
where: short stacking energy: -283.015
Base-Backbone interact. energy: -1.532
local terms energy: -286.909013
where:
bonds (distance) C4'-P energy: -52.536
bonds (distance) P-C4' energy: -53.766
flat angles C4'-P-C4' energy: -60.831
flat angles P-C4'-P energy: -40.199
tors. eta vs tors. theta energy: -79.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -857.348948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.348948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.348948 (E_RNA)
where:
Base-Base interactions energy: -587.459
where: short stacking energy: -251.222
Base-Backbone interact. energy: -0.876
local terms energy: -269.014439
where:
bonds (distance) C4'-P energy: -46.850
bonds (distance) P-C4' energy: -55.638
flat angles C4'-P-C4' energy: -57.625
flat angles P-C4'-P energy: -39.488
tors. eta vs tors. theta energy: -69.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -839.298010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.298010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.298010 (E_RNA)
where:
Base-Base interactions energy: -566.173
where: short stacking energy: -246.864
Base-Backbone interact. energy: -1.202
local terms energy: -271.923291
where:
bonds (distance) C4'-P energy: -58.928
bonds (distance) P-C4' energy: -46.403
flat angles C4'-P-C4' energy: -56.181
flat angles P-C4'-P energy: -33.281
tors. eta vs tors. theta energy: -77.130
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: 2
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -806.047725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.047725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.047725 (E_RNA)
where:
Base-Base interactions energy: -539.448
where: short stacking energy: -233.303
Base-Backbone interact. energy: 0.249
local terms energy: -266.848440
where:
bonds (distance) C4'-P energy: -56.399
bonds (distance) P-C4' energy: -56.635
flat angles C4'-P-C4' energy: -57.517
flat angles P-C4'-P energy: -32.688
tors. eta vs tors. theta energy: -63.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -758.990867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.990867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.990867 (E_RNA)
where:
Base-Base interactions energy: -520.059
where: short stacking energy: -210.440
Base-Backbone interact. energy: -1.515
local terms energy: -237.416152
where:
bonds (distance) C4'-P energy: -45.296
bonds (distance) P-C4' energy: -45.023
flat angles C4'-P-C4' energy: -54.965
flat angles P-C4'-P energy: -37.237
tors. eta vs tors. theta energy: -54.895
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: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -738.080231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.080231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.080231 (E_RNA)
where:
Base-Base interactions energy: -499.518
where: short stacking energy: -209.035
Base-Backbone interact. energy: -0.649
local terms energy: -237.913550
where:
bonds (distance) C4'-P energy: -44.123
bonds (distance) P-C4' energy: -48.939
flat angles C4'-P-C4' energy: -47.203
flat angles P-C4'-P energy: -39.326
tors. eta vs tors. theta energy: -58.322
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: 4
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -641.989126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.989126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.989126 (E_RNA)
where:
Base-Base interactions energy: -419.600
where: short stacking energy: -183.856
Base-Backbone interact. energy: -0.972
local terms energy: -221.417549
where:
bonds (distance) C4'-P energy: -44.680
bonds (distance) P-C4' energy: -43.244
flat angles C4'-P-C4' energy: -46.971
flat angles P-C4'-P energy: -37.392
tors. eta vs tors. theta energy: -49.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -548.091850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.091850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.091850 (E_RNA)
where:
Base-Base interactions energy: -345.371
where: short stacking energy: -145.054
Base-Backbone interact. energy: -0.590
local terms energy: -202.130923
where:
bonds (distance) C4'-P energy: -43.995
bonds (distance) P-C4' energy: -48.760
flat angles C4'-P-C4' energy: -45.833
flat angles P-C4'-P energy: -30.903
tors. eta vs tors. theta energy: -32.641
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: 279
Temperature: 1.350000
Total energy: -273.167181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.167181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.167181 (E_RNA)
where:
Base-Base interactions energy: -116.842
where: short stacking energy: -66.246
Base-Backbone interact. energy: -1.264
local terms energy: -155.061770
where:
bonds (distance) C4'-P energy: -42.910
bonds (distance) P-C4' energy: -43.680
flat angles C4'-P-C4' energy: -48.773
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: 0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -952.607168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.607168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.607168 (E_RNA)
where:
Base-Base interactions energy: -654.711
where: short stacking energy: -296.394
Base-Backbone interact. energy: -0.795
local terms energy: -297.101857
where:
bonds (distance) C4'-P energy: -50.754
bonds (distance) P-C4' energy: -49.521
flat angles C4'-P-C4' energy: -62.627
flat angles P-C4'-P energy: -43.773
tors. eta vs tors. theta energy: -90.428
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: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -938.758445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.758445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.758445 (E_RNA)
where:
Base-Base interactions energy: -637.614
where: short stacking energy: -283.809
Base-Backbone interact. energy: -1.596
local terms energy: -299.548679
where:
bonds (distance) C4'-P energy: -53.389
bonds (distance) P-C4' energy: -59.868
flat angles C4'-P-C4' energy: -64.902
flat angles P-C4'-P energy: -39.284
tors. eta vs tors. theta energy: -82.106
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: 6
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -884.799133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.799133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.799133 (E_RNA)
where:
Base-Base interactions energy: -599.705
where: short stacking energy: -272.405
Base-Backbone interact. energy: -0.344
local terms energy: -284.750070
where:
bonds (distance) C4'-P energy: -58.189
bonds (distance) P-C4' energy: -55.862
flat angles C4'-P-C4' energy: -58.150
flat angles P-C4'-P energy: -34.685
tors. eta vs tors. theta energy: -77.865
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: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -858.148409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.148409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.148409 (E_RNA)
where:
Base-Base interactions energy: -595.359
where: short stacking energy: -261.358
Base-Backbone interact. energy: 0.427
local terms energy: -263.216189
where:
bonds (distance) C4'-P energy: -52.658
bonds (distance) P-C4' energy: -43.224
flat angles C4'-P-C4' energy: -51.432
flat angles P-C4'-P energy: -35.208
tors. eta vs tors. theta energy: -80.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -822.090909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.090909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.090909 (E_RNA)
where:
Base-Base interactions energy: -563.816
where: short stacking energy: -252.740
Base-Backbone interact. energy: -1.256
local terms energy: -257.019642
where:
bonds (distance) C4'-P energy: -48.816
bonds (distance) P-C4' energy: -38.665
flat angles C4'-P-C4' energy: -51.036
flat angles P-C4'-P energy: -43.664
tors. eta vs tors. theta energy: -74.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -792.203751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.203751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.203751 (E_RNA)
where:
Base-Base interactions energy: -550.516
where: short stacking energy: -225.064
Base-Backbone interact. energy: 0.841
local terms energy: -242.529125
where:
bonds (distance) C4'-P energy: -50.578
bonds (distance) P-C4' energy: -50.252
flat angles C4'-P-C4' energy: -48.733
flat angles P-C4'-P energy: -36.225
tors. eta vs tors. theta energy: -56.741
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: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -731.285414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.285414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.285414 (E_RNA)
where:
Base-Base interactions energy: -529.276
where: short stacking energy: -206.377
Base-Backbone interact. energy: -0.683
local terms energy: -201.326445
where:
bonds (distance) C4'-P energy: -34.888
bonds (distance) P-C4' energy: -42.553
flat angles C4'-P-C4' energy: -41.662
flat angles P-C4'-P energy: -27.687
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: 8, replica: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -634.274569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.274569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.274569 (E_RNA)
where:
Base-Base interactions energy: -425.040
where: short stacking energy: -184.564
Base-Backbone interact. energy: 1.534
local terms energy: -210.768102
where:
bonds (distance) C4'-P energy: -39.073
bonds (distance) P-C4' energy: -45.365
flat angles C4'-P-C4' energy: -47.162
flat angles P-C4'-P energy: -31.190
tors. eta vs tors. theta energy: -47.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -568.505893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.505893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.505893 (E_RNA)
where:
Base-Base interactions energy: -379.401
where: short stacking energy: -179.152
Base-Backbone interact. energy: -0.367
local terms energy: -188.737692
where:
bonds (distance) C4'-P energy: -35.738
bonds (distance) P-C4' energy: -37.173
flat angles C4'-P-C4' energy: -46.710
flat angles P-C4'-P energy: -29.055
tors. eta vs tors. theta energy: -40.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -304.330099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.330099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.330099 (E_RNA)
where:
Base-Base interactions energy: -133.262
where: short stacking energy: -77.924
Base-Backbone interact. energy: -0.266
local terms energy: -170.801402
where:
bonds (distance) C4'-P energy: -45.087
bonds (distance) P-C4' energy: -52.535
flat angles C4'-P-C4' energy: -45.940
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -13.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -953.908407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.908407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.908407 (E_RNA)
where:
Base-Base interactions energy: -654.110
where: short stacking energy: -288.005
Base-Backbone interact. energy: -1.930
local terms energy: -297.868629
where:
bonds (distance) C4'-P energy: -52.142
bonds (distance) P-C4' energy: -53.548
flat angles C4'-P-C4' energy: -61.275
flat angles P-C4'-P energy: -40.224
tors. eta vs tors. theta energy: -90.680
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: 2, replica: 6
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -889.319015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.319015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.319015 (E_RNA)
where:
Base-Base interactions energy: -603.185
where: short stacking energy: -274.108
Base-Backbone interact. energy: 0.217
local terms energy: -286.350937
where:
bonds (distance) C4'-P energy: -54.433
bonds (distance) P-C4' energy: -54.434
flat angles C4'-P-C4' energy: -52.015
flat angles P-C4'-P energy: -43.527
tors. eta vs tors. theta energy: -81.941
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: 281
Temperature: 1.000000
Total energy: -935.564712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.564712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.564712 (E_RNA)
where:
Base-Base interactions energy: -646.326
where: short stacking energy: -271.691
Base-Backbone interact. energy: -0.375
local terms energy: -288.864059
where:
bonds (distance) C4'-P energy: -53.920
bonds (distance) P-C4' energy: -55.395
flat angles C4'-P-C4' energy: -56.539
flat angles P-C4'-P energy: -46.077
tors. eta vs tors. theta energy: -76.933
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: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -871.258758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.258758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.258758 (E_RNA)
where:
Base-Base interactions energy: -593.646
where: short stacking energy: -257.210
Base-Backbone interact. energy: -0.168
local terms energy: -277.444659
where:
bonds (distance) C4'-P energy: -48.952
bonds (distance) P-C4' energy: -51.797
flat angles C4'-P-C4' energy: -61.852
flat angles P-C4'-P energy: -37.387
tors. eta vs tors. theta energy: -77.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -806.401599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.401599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.401599 (E_RNA)
where:
Base-Base interactions energy: -557.308
where: short stacking energy: -239.594
Base-Backbone interact. energy: -1.393
local terms energy: -247.700083
where:
bonds (distance) C4'-P energy: -48.969
bonds (distance) P-C4' energy: -48.921
flat angles C4'-P-C4' energy: -54.503
flat angles P-C4'-P energy: -30.156
tors. eta vs tors. theta energy: -65.151
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: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -784.666667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.666667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.666667 (E_RNA)
where:
Base-Base interactions energy: -538.166
where: short stacking energy: -226.139
Base-Backbone interact. energy: -1.566
local terms energy: -244.934262
where:
bonds (distance) C4'-P energy: -43.178
bonds (distance) P-C4' energy: -41.715
flat angles C4'-P-C4' energy: -52.769
flat angles P-C4'-P energy: -38.450
tors. eta vs tors. theta energy: -68.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -755.068196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.068196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.068196 (E_RNA)
where:
Base-Base interactions energy: -532.658
where: short stacking energy: -213.677
Base-Backbone interact. energy: -0.170
local terms energy: -222.240606
where:
bonds (distance) C4'-P energy: -50.933
bonds (distance) P-C4' energy: -30.945
flat angles C4'-P-C4' energy: -58.566
flat angles P-C4'-P energy: -25.137
tors. eta vs tors. theta energy: -56.660
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: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -644.004376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.004376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.004376 (E_RNA)
where:
Base-Base interactions energy: -416.867
where: short stacking energy: -176.435
Base-Backbone interact. energy: -1.376
local terms energy: -225.761149
where:
bonds (distance) C4'-P energy: -45.506
bonds (distance) P-C4' energy: -52.112
flat angles C4'-P-C4' energy: -47.586
flat angles P-C4'-P energy: -28.055
tors. eta vs tors. theta energy: -52.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -561.438351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.438351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.438351 (E_RNA)
where:
Base-Base interactions energy: -351.888
where: short stacking energy: -161.710
Base-Backbone interact. energy: -0.073
local terms energy: -209.476995
where:
bonds (distance) C4'-P energy: -41.554
bonds (distance) P-C4' energy: -49.203
flat angles C4'-P-C4' energy: -49.762
flat angles P-C4'-P energy: -32.839
tors. eta vs tors. theta energy: -36.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -288.701150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.701150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.701150 (E_RNA)
where:
Base-Base interactions energy: -130.667
where: short stacking energy: -79.119
Base-Backbone interact. energy: 0.828
local terms energy: -158.862596
where:
bonds (distance) C4'-P energy: -35.975
bonds (distance) P-C4' energy: -44.045
flat angles C4'-P-C4' energy: -49.451
flat angles P-C4'-P energy: -28.739
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: 1, replica: 3
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -960.383504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.383504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.383504 (E_RNA)
where:
Base-Base interactions energy: -677.430
where: short stacking energy: -298.668
Base-Backbone interact. energy: -1.854
local terms energy: -281.098567
where:
bonds (distance) C4'-P energy: -49.018
bonds (distance) P-C4' energy: -50.683
flat angles C4'-P-C4' energy: -55.171
flat angles P-C4'-P energy: -41.560
tors. eta vs tors. theta energy: -84.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -886.932029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.932029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.932029 (E_RNA)
where:
Base-Base interactions energy: -599.818
where: short stacking energy: -262.887
Base-Backbone interact. energy: -0.617
local terms energy: -286.497461
where:
bonds (distance) C4'-P energy: -55.440
bonds (distance) P-C4' energy: -53.741
flat angles C4'-P-C4' energy: -60.517
flat angles P-C4'-P energy: -40.599
tors. eta vs tors. theta energy: -76.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -933.823147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.823147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.823147 (E_RNA)
where:
Base-Base interactions energy: -645.292
where: short stacking energy: -293.922
Base-Backbone interact. energy: -1.107
local terms energy: -287.424280
where:
bonds (distance) C4'-P energy: -45.274
bonds (distance) P-C4' energy: -58.357
flat angles C4'-P-C4' energy: -62.212
flat angles P-C4'-P energy: -37.147
tors. eta vs tors. theta energy: -84.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -841.828300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.828300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.828300 (E_RNA)
where:
Base-Base interactions energy: -583.583
where: short stacking energy: -231.369
Base-Backbone interact. energy: -1.820
local terms energy: -256.424381
where:
bonds (distance) C4'-P energy: -48.896
bonds (distance) P-C4' energy: -51.887
flat angles C4'-P-C4' energy: -53.445
flat angles P-C4'-P energy: -28.810
tors. eta vs tors. theta energy: -73.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -792.943052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.943052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.943052 (E_RNA)
where:
Base-Base interactions energy: -538.116
where: short stacking energy: -224.815
Base-Backbone interact. energy: -0.104
local terms energy: -254.722806
where:
bonds (distance) C4'-P energy: -53.898
bonds (distance) P-C4' energy: -51.108
flat angles C4'-P-C4' energy: -53.339
flat angles P-C4'-P energy: -26.695
tors. eta vs tors. theta energy: -69.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -817.859262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.859262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.859262 (E_RNA)
where:
Base-Base interactions energy: -562.566
where: short stacking energy: -249.451
Base-Backbone interact. energy: -0.573
local terms energy: -254.720186
where:
bonds (distance) C4'-P energy: -37.921
bonds (distance) P-C4' energy: -50.553
flat angles C4'-P-C4' energy: -57.757
flat angles P-C4'-P energy: -36.294
tors. eta vs tors. theta energy: -72.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -762.193335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.193335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.193335 (E_RNA)
where:
Base-Base interactions energy: -511.399
where: short stacking energy: -214.658
Base-Backbone interact. energy: -2.975
local terms energy: -247.819425
where:
bonds (distance) C4'-P energy: -52.234
bonds (distance) P-C4' energy: -48.949
flat angles C4'-P-C4' energy: -51.661
flat angles P-C4'-P energy: -34.960
tors. eta vs tors. theta energy: -60.014
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: 8, replica: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -630.102043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.102043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.102043 (E_RNA)
where:
Base-Base interactions energy: -430.006
where: short stacking energy: -174.289
Base-Backbone interact. energy: -0.993
local terms energy: -199.102566
where:
bonds (distance) C4'-P energy: -34.992
bonds (distance) P-C4' energy: -49.295
flat angles C4'-P-C4' energy: -41.751
flat angles P-C4'-P energy: -33.543
tors. eta vs tors. theta energy: -39.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -592.711457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.711457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.711457 (E_RNA)
where:
Base-Base interactions energy: -376.814
where: short stacking energy: -184.397
Base-Backbone interact. energy: -0.016
local terms energy: -215.881356
where:
bonds (distance) C4'-P energy: -47.233
bonds (distance) P-C4' energy: -54.429
flat angles C4'-P-C4' energy: -40.861
flat angles P-C4'-P energy: -34.951
tors. eta vs tors. theta energy: -38.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -300.460095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.460095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.460095 (E_RNA)
where:
Base-Base interactions energy: -150.461
where: short stacking energy: -86.659
Base-Backbone interact. energy: 0.290
local terms energy: -150.288901
where:
bonds (distance) C4'-P energy: -46.129
bonds (distance) P-C4' energy: -35.469
flat angles C4'-P-C4' energy: -41.363
flat angles P-C4'-P energy: -22.755
tors. eta vs tors. theta energy: -4.574
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: 1, replica: 3
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -953.994841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.994841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.994841 (E_RNA)
where:
Base-Base interactions energy: -656.751
where: short stacking energy: -286.502
Base-Backbone interact. energy: -1.405
local terms energy: -295.838890
where:
bonds (distance) C4'-P energy: -54.262
bonds (distance) P-C4' energy: -47.377
flat angles C4'-P-C4' energy: -58.887
flat angles P-C4'-P energy: -43.608
tors. eta vs tors. theta energy: -91.705
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: 283
Temperature: 0.950000
Total energy: -916.086770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.086770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.086770 (E_RNA)
where:
Base-Base interactions energy: -627.904
where: short stacking energy: -284.195
Base-Backbone interact. energy: -1.231
local terms energy: -286.951458
where:
bonds (distance) C4'-P energy: -50.097
bonds (distance) P-C4' energy: -55.957
flat angles C4'-P-C4' energy: -59.429
flat angles P-C4'-P energy: -38.418
tors. eta vs tors. theta energy: -83.051
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: 3, replica: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -876.510370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.510370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.510370 (E_RNA)
where:
Base-Base interactions energy: -597.382
where: short stacking energy: -277.310
Base-Backbone interact. energy: -0.459
local terms energy: -278.669180
where:
bonds (distance) C4'-P energy: -51.432
bonds (distance) P-C4' energy: -49.600
flat angles C4'-P-C4' energy: -55.249
flat angles P-C4'-P energy: -40.541
tors. eta vs tors. theta energy: -81.848
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: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -844.447198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.447198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.447198 (E_RNA)
where:
Base-Base interactions energy: -572.803
where: short stacking energy: -247.516
Base-Backbone interact. energy: -1.493
local terms energy: -270.151524
where:
bonds (distance) C4'-P energy: -55.437
bonds (distance) P-C4' energy: -40.832
flat angles C4'-P-C4' energy: -57.100
flat angles P-C4'-P energy: -39.788
tors. eta vs tors. theta energy: -76.995
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: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -796.043641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.043641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.043641 (E_RNA)
where:
Base-Base interactions energy: -537.512
where: short stacking energy: -241.133
Base-Backbone interact. energy: -0.480
local terms energy: -258.051605
where:
bonds (distance) C4'-P energy: -43.524
bonds (distance) P-C4' energy: -54.635
flat angles C4'-P-C4' energy: -57.275
flat angles P-C4'-P energy: -36.783
tors. eta vs tors. theta energy: -65.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -782.330503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.330503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.330503 (E_RNA)
where:
Base-Base interactions energy: -552.725
where: short stacking energy: -237.349
Base-Backbone interact. energy: -0.441
local terms energy: -229.164196
where:
bonds (distance) C4'-P energy: -43.531
bonds (distance) P-C4' energy: -30.746
flat angles C4'-P-C4' energy: -48.487
flat angles P-C4'-P energy: -37.895
tors. eta vs tors. theta energy: -68.505
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: 5
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -763.657008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.657008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.657008 (E_RNA)
where:
Base-Base interactions energy: -519.580
where: short stacking energy: -224.753
Base-Backbone interact. energy: 0.834
local terms energy: -244.910891
where:
bonds (distance) C4'-P energy: -46.131
bonds (distance) P-C4' energy: -48.145
flat angles C4'-P-C4' energy: -55.094
flat angles P-C4'-P energy: -32.625
tors. eta vs tors. theta energy: -62.915
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: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -678.127838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.127838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.127838 (E_RNA)
where:
Base-Base interactions energy: -447.382
where: short stacking energy: -199.113
Base-Backbone interact. energy: -0.349
local terms energy: -230.396500
where:
bonds (distance) C4'-P energy: -45.672
bonds (distance) P-C4' energy: -53.440
flat angles C4'-P-C4' energy: -49.458
flat angles P-C4'-P energy: -28.272
tors. eta vs tors. theta energy: -53.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -553.405452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.405452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.405452 (E_RNA)
where:
Base-Base interactions energy: -349.736
where: short stacking energy: -153.427
Base-Backbone interact. energy: -1.730
local terms energy: -201.939817
where:
bonds (distance) C4'-P energy: -36.334
bonds (distance) P-C4' energy: -51.377
flat angles C4'-P-C4' energy: -45.508
flat angles P-C4'-P energy: -34.666
tors. eta vs tors. theta energy: -34.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -303.937650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.937650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.937650 (E_RNA)
where:
Base-Base interactions energy: -155.863
where: short stacking energy: -76.628
Base-Backbone interact. energy: -2.607
local terms energy: -145.467145
where:
bonds (distance) C4'-P energy: -44.511
bonds (distance) P-C4' energy: -38.955
flat angles C4'-P-C4' energy: -40.512
flat angles P-C4'-P energy: -18.845
tors. eta vs tors. theta energy: -2.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -956.544762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.544762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.544762 (E_RNA)
where:
Base-Base interactions energy: -658.511
where: short stacking energy: -299.940
Base-Backbone interact. energy: -0.631
local terms energy: -297.402997
where:
bonds (distance) C4'-P energy: -57.292
bonds (distance) P-C4' energy: -55.690
flat angles C4'-P-C4' energy: -57.604
flat angles P-C4'-P energy: -40.621
tors. eta vs tors. theta energy: -86.196
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: 284
Temperature: 0.950000
Total energy: -923.807690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.807690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.807690 (E_RNA)
where:
Base-Base interactions energy: -650.634
where: short stacking energy: -281.696
Base-Backbone interact. energy: 1.977
local terms energy: -275.150289
where:
bonds (distance) C4'-P energy: -45.535
bonds (distance) P-C4' energy: -50.725
flat angles C4'-P-C4' energy: -53.588
flat angles P-C4'-P energy: -40.482
tors. eta vs tors. theta energy: -84.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -870.075722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.075722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.075722 (E_RNA)
where:
Base-Base interactions energy: -600.314
where: short stacking energy: -265.199
Base-Backbone interact. energy: 1.578
local terms energy: -271.339479
where:
bonds (distance) C4'-P energy: -54.944
bonds (distance) P-C4' energy: -52.137
flat angles C4'-P-C4' energy: -55.696
flat angles P-C4'-P energy: -37.781
tors. eta vs tors. theta energy: -70.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -858.831515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.831515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.831515 (E_RNA)
where:
Base-Base interactions energy: -599.237
where: short stacking energy: -251.245
Base-Backbone interact. energy: -0.824
local terms energy: -258.770960
where:
bonds (distance) C4'-P energy: -44.332
bonds (distance) P-C4' energy: -45.005
flat angles C4'-P-C4' energy: -56.073
flat angles P-C4'-P energy: -36.820
tors. eta vs tors. theta energy: -76.541
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: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -800.215151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.215151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.215151 (E_RNA)
where:
Base-Base interactions energy: -564.465
where: short stacking energy: -249.566
Base-Backbone interact. energy: 0.676
local terms energy: -236.425798
where:
bonds (distance) C4'-P energy: -44.408
bonds (distance) P-C4' energy: -47.841
flat angles C4'-P-C4' energy: -53.751
flat angles P-C4'-P energy: -29.431
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: 6, replica: 9
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -739.418479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.418479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.418479 (E_RNA)
where:
Base-Base interactions energy: -508.063
where: short stacking energy: -207.028
Base-Backbone interact. energy: -0.580
local terms energy: -230.775648
where:
bonds (distance) C4'-P energy: -47.033
bonds (distance) P-C4' energy: -46.703
flat angles C4'-P-C4' energy: -46.641
flat angles P-C4'-P energy: -30.146
tors. eta vs tors. theta energy: -60.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -741.612498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.612498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.612498 (E_RNA)
where:
Base-Base interactions energy: -523.250
where: short stacking energy: -221.492
Base-Backbone interact. energy: 0.144
local terms energy: -218.506329
where:
bonds (distance) C4'-P energy: -36.978
bonds (distance) P-C4' energy: -42.363
flat angles C4'-P-C4' energy: -54.702
flat angles P-C4'-P energy: -32.671
tors. eta vs tors. theta energy: -51.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -632.520908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.520908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.520908 (E_RNA)
where:
Base-Base interactions energy: -429.776
where: short stacking energy: -179.476
Base-Backbone interact. energy: -0.129
local terms energy: -202.616073
where:
bonds (distance) C4'-P energy: -31.763
bonds (distance) P-C4' energy: -44.192
flat angles C4'-P-C4' energy: -51.597
flat angles P-C4'-P energy: -32.001
tors. eta vs tors. theta energy: -43.063
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: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -555.287158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.287158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.287158 (E_RNA)
where:
Base-Base interactions energy: -349.696
where: short stacking energy: -153.430
Base-Backbone interact. energy: -0.524
local terms energy: -205.067729
where:
bonds (distance) C4'-P energy: -39.445
bonds (distance) P-C4' energy: -41.602
flat angles C4'-P-C4' energy: -46.934
flat angles P-C4'-P energy: -41.217
tors. eta vs tors. theta energy: -35.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -294.045548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.045548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.045548 (E_RNA)
where:
Base-Base interactions energy: -140.571
where: short stacking energy: -77.720
Base-Backbone interact. energy: -1.338
local terms energy: -152.136293
where:
bonds (distance) C4'-P energy: -45.464
bonds (distance) P-C4' energy: -36.407
flat angles C4'-P-C4' energy: -37.824
flat angles P-C4'-P energy: -22.951
tors. eta vs tors. theta energy: -9.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -960.767598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.767598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.767598 (E_RNA)
where:
Base-Base interactions energy: -665.546
where: short stacking energy: -301.198
Base-Backbone interact. energy: -0.523
local terms energy: -294.698565
where:
bonds (distance) C4'-P energy: -48.731
bonds (distance) P-C4' energy: -57.820
flat angles C4'-P-C4' energy: -61.885
flat angles P-C4'-P energy: -33.692
tors. eta vs tors. theta energy: -92.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -919.781804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.781804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.781804 (E_RNA)
where:
Base-Base interactions energy: -618.358
where: short stacking energy: -274.299
Base-Backbone interact. energy: -0.351
local terms energy: -301.072502
where:
bonds (distance) C4'-P energy: -49.988
bonds (distance) P-C4' energy: -57.846
flat angles C4'-P-C4' energy: -60.308
flat angles P-C4'-P energy: -44.503
tors. eta vs tors. theta energy: -88.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -877.541172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.541172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.541172 (E_RNA)
where:
Base-Base interactions energy: -592.307
where: short stacking energy: -269.572
Base-Backbone interact. energy: -1.327
local terms energy: -283.907546
where:
bonds (distance) C4'-P energy: -53.792
bonds (distance) P-C4' energy: -54.705
flat angles C4'-P-C4' energy: -60.746
flat angles P-C4'-P energy: -40.990
tors. eta vs tors. theta energy: -73.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -841.632963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.632963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.632963 (E_RNA)
where:
Base-Base interactions energy: -588.596
where: short stacking energy: -239.224
Base-Backbone interact. energy: -0.343
local terms energy: -252.693574
where:
bonds (distance) C4'-P energy: -44.765
bonds (distance) P-C4' energy: -45.598
flat angles C4'-P-C4' energy: -54.659
flat angles P-C4'-P energy: -40.511
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: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -795.167543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.167543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.167543 (E_RNA)
where:
Base-Base interactions energy: -543.781
where: short stacking energy: -227.111
Base-Backbone interact. energy: -0.749
local terms energy: -250.638254
where:
bonds (distance) C4'-P energy: -44.073
bonds (distance) P-C4' energy: -57.821
flat angles C4'-P-C4' energy: -53.497
flat angles P-C4'-P energy: -27.272
tors. eta vs tors. theta energy: -67.975
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: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -781.487792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.487792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.487792 (E_RNA)
where:
Base-Base interactions energy: -546.267
where: short stacking energy: -228.796
Base-Backbone interact. energy: -1.301
local terms energy: -233.918889
where:
bonds (distance) C4'-P energy: -41.927
bonds (distance) P-C4' energy: -42.257
flat angles C4'-P-C4' energy: -55.428
flat angles P-C4'-P energy: -34.398
tors. eta vs tors. theta energy: -59.908
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: 9
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -771.121353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.121353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.121353 (E_RNA)
where:
Base-Base interactions energy: -540.166
where: short stacking energy: -228.590
Base-Backbone interact. energy: -0.486
local terms energy: -230.468727
where:
bonds (distance) C4'-P energy: -29.705
bonds (distance) P-C4' energy: -50.691
flat angles C4'-P-C4' energy: -48.814
flat angles P-C4'-P energy: -38.679
tors. eta vs tors. theta energy: -62.579
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: 4
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -607.280283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.280283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.280283 (E_RNA)
where:
Base-Base interactions energy: -413.111
where: short stacking energy: -166.689
Base-Backbone interact. energy: 0.529
local terms energy: -194.697916
where:
bonds (distance) C4'-P energy: -41.781
bonds (distance) P-C4' energy: -48.440
flat angles C4'-P-C4' energy: -40.693
flat angles P-C4'-P energy: -22.864
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: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -595.041585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.041585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.041585 (E_RNA)
where:
Base-Base interactions energy: -392.174
where: short stacking energy: -185.585
Base-Backbone interact. energy: 0.620
local terms energy: -203.486711
where:
bonds (distance) C4'-P energy: -47.520
bonds (distance) P-C4' energy: -41.201
flat angles C4'-P-C4' energy: -49.068
flat angles P-C4'-P energy: -37.955
tors. eta vs tors. theta energy: -27.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -310.746144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.746144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.746144 (E_RNA)
where:
Base-Base interactions energy: -166.436
where: short stacking energy: -88.754
Base-Backbone interact. energy: -1.148
local terms energy: -143.162214
where:
bonds (distance) C4'-P energy: -39.086
bonds (distance) P-C4' energy: -46.238
flat angles C4'-P-C4' energy: -31.438
flat angles P-C4'-P energy: -19.634
tors. eta vs tors. theta energy: -6.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -937.493035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.493035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.493035 (E_RNA)
where:
Base-Base interactions energy: -651.944
where: short stacking energy: -272.042
Base-Backbone interact. energy: -0.030
local terms energy: -285.519262
where:
bonds (distance) C4'-P energy: -51.852
bonds (distance) P-C4' energy: -55.482
flat angles C4'-P-C4' energy: -59.463
flat angles P-C4'-P energy: -35.959
tors. eta vs tors. theta energy: -82.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -919.796803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.796803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.796803 (E_RNA)
where:
Base-Base interactions energy: -633.608
where: short stacking energy: -267.082
Base-Backbone interact. energy: -1.411
local terms energy: -284.777980
where:
bonds (distance) C4'-P energy: -57.401
bonds (distance) P-C4' energy: -49.538
flat angles C4'-P-C4' energy: -58.210
flat angles P-C4'-P energy: -41.999
tors. eta vs tors. theta energy: -77.630
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: 3, replica: 6
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -867.391717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.391717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.391717 (E_RNA)
where:
Base-Base interactions energy: -589.361
where: short stacking energy: -274.830
Base-Backbone interact. energy: -1.288
local terms energy: -276.742630
where:
bonds (distance) C4'-P energy: -51.218
bonds (distance) P-C4' energy: -53.704
flat angles C4'-P-C4' energy: -50.526
flat angles P-C4'-P energy: -41.575
tors. eta vs tors. theta energy: -79.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -847.609075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.609075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.609075 (E_RNA)
where:
Base-Base interactions energy: -577.315
where: short stacking energy: -245.969
Base-Backbone interact. energy: 0.471
local terms energy: -270.765359
where:
bonds (distance) C4'-P energy: -44.661
bonds (distance) P-C4' energy: -49.977
flat angles C4'-P-C4' energy: -57.915
flat angles P-C4'-P energy: -45.239
tors. eta vs tors. theta energy: -72.974
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: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -827.762461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.762461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.762461 (E_RNA)
where:
Base-Base interactions energy: -544.324
where: short stacking energy: -240.151
Base-Backbone interact. energy: -0.543
local terms energy: -282.895483
where:
bonds (distance) C4'-P energy: -55.758
bonds (distance) P-C4' energy: -54.168
flat angles C4'-P-C4' energy: -57.216
flat angles P-C4'-P energy: -42.070
tors. eta vs tors. theta energy: -73.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -774.450192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.450192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.450192 (E_RNA)
where:
Base-Base interactions energy: -549.437
where: short stacking energy: -234.976
Base-Backbone interact. energy: 1.575
local terms energy: -226.588190
where:
bonds (distance) C4'-P energy: -39.775
bonds (distance) P-C4' energy: -43.073
flat angles C4'-P-C4' energy: -48.513
flat angles P-C4'-P energy: -36.697
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: 9
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -728.830492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.830492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.830492 (E_RNA)
where:
Base-Base interactions energy: -513.105
where: short stacking energy: -215.073
Base-Backbone interact. energy: -0.351
local terms energy: -215.374336
where:
bonds (distance) C4'-P energy: -38.408
bonds (distance) P-C4' energy: -39.338
flat angles C4'-P-C4' energy: -51.049
flat angles P-C4'-P energy: -30.746
tors. eta vs tors. theta energy: -55.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -635.122115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.122115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.122115 (E_RNA)
where:
Base-Base interactions energy: -418.234
where: short stacking energy: -184.272
Base-Backbone interact. energy: 3.049
local terms energy: -219.937501
where:
bonds (distance) C4'-P energy: -42.339
bonds (distance) P-C4' energy: -45.386
flat angles C4'-P-C4' energy: -56.050
flat angles P-C4'-P energy: -30.061
tors. eta vs tors. theta energy: -46.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -559.773939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.773939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.773939 (E_RNA)
where:
Base-Base interactions energy: -360.236
where: short stacking energy: -145.980
Base-Backbone interact. energy: 3.020
local terms energy: -202.557854
where:
bonds (distance) C4'-P energy: -35.234
bonds (distance) P-C4' energy: -57.151
flat angles C4'-P-C4' energy: -49.090
flat angles P-C4'-P energy: -21.852
tors. eta vs tors. theta energy: -39.232
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: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -352.331851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.331851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.331851 (E_RNA)
where:
Base-Base interactions energy: -187.404
where: short stacking energy: -115.368
Base-Backbone interact. energy: 0.514
local terms energy: -165.442262
where:
bonds (distance) C4'-P energy: -42.428
bonds (distance) P-C4' energy: -40.428
flat angles C4'-P-C4' energy: -39.200
flat angles P-C4'-P energy: -26.072
tors. eta vs tors. theta energy: -17.314
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: 287
Temperature: 0.900000
Total energy: -945.996989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.996989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.996989 (E_RNA)
where:
Base-Base interactions energy: -653.992
where: short stacking energy: -283.927
Base-Backbone interact. energy: -1.370
local terms energy: -290.635751
where:
bonds (distance) C4'-P energy: -54.377
bonds (distance) P-C4' energy: -50.718
flat angles C4'-P-C4' energy: -59.598
flat angles P-C4'-P energy: -42.021
tors. eta vs tors. theta energy: -83.921
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: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -914.953095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.953095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.953095 (E_RNA)
where:
Base-Base interactions energy: -642.450
where: short stacking energy: -272.563
Base-Backbone interact. energy: 3.014
local terms energy: -275.517582
where:
bonds (distance) C4'-P energy: -43.877
bonds (distance) P-C4' energy: -49.981
flat angles C4'-P-C4' energy: -56.433
flat angles P-C4'-P energy: -41.311
tors. eta vs tors. theta energy: -83.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -872.756382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.756382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.756382 (E_RNA)
where:
Base-Base interactions energy: -597.981
where: short stacking energy: -274.061
Base-Backbone interact. energy: -0.740
local terms energy: -274.035629
where:
bonds (distance) C4'-P energy: -46.833
bonds (distance) P-C4' energy: -46.621
flat angles C4'-P-C4' energy: -55.645
flat angles P-C4'-P energy: -38.513
tors. eta vs tors. theta energy: -86.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -849.822564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.822564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.822564 (E_RNA)
where:
Base-Base interactions energy: -588.021
where: short stacking energy: -253.186
Base-Backbone interact. energy: 1.023
local terms energy: -262.824395
where:
bonds (distance) C4'-P energy: -40.868
bonds (distance) P-C4' energy: -48.930
flat angles C4'-P-C4' energy: -62.006
flat angles P-C4'-P energy: -40.463
tors. eta vs tors. theta energy: -70.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -813.213221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.213221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.213221 (E_RNA)
where:
Base-Base interactions energy: -558.685
where: short stacking energy: -237.024
Base-Backbone interact. energy: -0.505
local terms energy: -254.022868
where:
bonds (distance) C4'-P energy: -51.541
bonds (distance) P-C4' energy: -51.454
flat angles C4'-P-C4' energy: -46.208
flat angles P-C4'-P energy: -37.122
tors. eta vs tors. theta energy: -67.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -739.028965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.028965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.028965 (E_RNA)
where:
Base-Base interactions energy: -520.174
where: short stacking energy: -210.640
Base-Backbone interact. energy: -1.340
local terms energy: -217.515393
where:
bonds (distance) C4'-P energy: -37.226
bonds (distance) P-C4' energy: -43.814
flat angles C4'-P-C4' energy: -55.865
flat angles P-C4'-P energy: -35.090
tors. eta vs tors. theta energy: -45.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -734.116356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.116356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.116356 (E_RNA)
where:
Base-Base interactions energy: -511.435
where: short stacking energy: -210.887
Base-Backbone interact. energy: -0.348
local terms energy: -222.332712
where:
bonds (distance) C4'-P energy: -31.975
bonds (distance) P-C4' energy: -45.623
flat angles C4'-P-C4' energy: -54.617
flat angles P-C4'-P energy: -40.993
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: 8, replica: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -585.422354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.422354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.422354 (E_RNA)
where:
Base-Base interactions energy: -389.582
where: short stacking energy: -178.572
Base-Backbone interact. energy: -0.439
local terms energy: -195.401257
where:
bonds (distance) C4'-P energy: -37.485
bonds (distance) P-C4' energy: -45.803
flat angles C4'-P-C4' energy: -50.646
flat angles P-C4'-P energy: -26.521
tors. eta vs tors. theta energy: -34.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -560.365617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.365617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.365617 (E_RNA)
where:
Base-Base interactions energy: -351.325
where: short stacking energy: -147.456
Base-Backbone interact. energy: 1.496
local terms energy: -210.536620
where:
bonds (distance) C4'-P energy: -46.122
bonds (distance) P-C4' energy: -43.958
flat angles C4'-P-C4' energy: -50.557
flat angles P-C4'-P energy: -30.679
tors. eta vs tors. theta energy: -39.219
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: 287
Temperature: 1.350000
Total energy: -316.267391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.267391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.267391 (E_RNA)
where:
Base-Base interactions energy: -166.520
where: short stacking energy: -117.350
Base-Backbone interact. energy: 0.769
local terms energy: -150.516042
where:
bonds (distance) C4'-P energy: -23.607
bonds (distance) P-C4' energy: -49.218
flat angles C4'-P-C4' energy: -36.669
flat angles P-C4'-P energy: -25.905
tors. eta vs tors. theta energy: -15.117
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: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -957.841922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.841922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.841922 (E_RNA)
where:
Base-Base interactions energy: -661.587
where: short stacking energy: -291.875
Base-Backbone interact. energy: -0.785
local terms energy: -295.470011
where:
bonds (distance) C4'-P energy: -55.524
bonds (distance) P-C4' energy: -53.159
flat angles C4'-P-C4' energy: -60.188
flat angles P-C4'-P energy: -36.915
tors. eta vs tors. theta energy: -89.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -916.411118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.411118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.411118 (E_RNA)
where:
Base-Base interactions energy: -626.288
where: short stacking energy: -274.307
Base-Backbone interact. energy: -1.755
local terms energy: -288.368210
where:
bonds (distance) C4'-P energy: -57.049
bonds (distance) P-C4' energy: -47.746
flat angles C4'-P-C4' energy: -61.898
flat angles P-C4'-P energy: -43.271
tors. eta vs tors. theta energy: -78.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -865.516545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.516545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.516545 (E_RNA)
where:
Base-Base interactions energy: -598.474
where: short stacking energy: -252.191
Base-Backbone interact. energy: 0.474
local terms energy: -267.516130
where:
bonds (distance) C4'-P energy: -51.713
bonds (distance) P-C4' energy: -51.377
flat angles C4'-P-C4' energy: -56.805
flat angles P-C4'-P energy: -38.390
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: 4, replica: 6
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -845.913456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.913456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.913456 (E_RNA)
where:
Base-Base interactions energy: -580.245
where: short stacking energy: -238.910
Base-Backbone interact. energy: -1.878
local terms energy: -263.791219
where:
bonds (distance) C4'-P energy: -46.663
bonds (distance) P-C4' energy: -46.272
flat angles C4'-P-C4' energy: -56.728
flat angles P-C4'-P energy: -40.019
tors. eta vs tors. theta energy: -74.109
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: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -777.785301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.785301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.785301 (E_RNA)
where:
Base-Base interactions energy: -539.081
where: short stacking energy: -213.898
Base-Backbone interact. energy: 1.268
local terms energy: -239.971863
where:
bonds (distance) C4'-P energy: -55.226
bonds (distance) P-C4' energy: -49.797
flat angles C4'-P-C4' energy: -53.008
flat angles P-C4'-P energy: -30.884
tors. eta vs tors. theta energy: -51.057
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: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -803.133299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.133299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.133299 (E_RNA)
where:
Base-Base interactions energy: -551.698
where: short stacking energy: -239.587
Base-Backbone interact. energy: -0.326
local terms energy: -251.109713
where:
bonds (distance) C4'-P energy: -38.305
bonds (distance) P-C4' energy: -54.849
flat angles C4'-P-C4' energy: -52.253
flat angles P-C4'-P energy: -33.743
tors. eta vs tors. theta energy: -71.960
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: 7, replica: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -711.149395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.149395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.149395 (E_RNA)
where:
Base-Base interactions energy: -480.242
where: short stacking energy: -193.331
Base-Backbone interact. energy: -0.958
local terms energy: -229.949091
where:
bonds (distance) C4'-P energy: -43.599
bonds (distance) P-C4' energy: -52.467
flat angles C4'-P-C4' energy: -51.676
flat angles P-C4'-P energy: -31.782
tors. eta vs tors. theta energy: -50.425
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: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -631.275818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.275818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.275818 (E_RNA)
where:
Base-Base interactions energy: -412.756
where: short stacking energy: -169.907
Base-Backbone interact. energy: -0.265
local terms energy: -218.254651
where:
bonds (distance) C4'-P energy: -48.411
bonds (distance) P-C4' energy: -47.459
flat angles C4'-P-C4' energy: -46.564
flat angles P-C4'-P energy: -32.089
tors. eta vs tors. theta energy: -43.732
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: 7
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -536.968006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.968006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.968006 (E_RNA)
where:
Base-Base interactions energy: -362.176
where: short stacking energy: -154.141
Base-Backbone interact. energy: -1.571
local terms energy: -173.221176
where:
bonds (distance) C4'-P energy: -31.168
bonds (distance) P-C4' energy: -35.027
flat angles C4'-P-C4' energy: -50.388
flat angles P-C4'-P energy: -21.542
tors. eta vs tors. theta energy: -35.096
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: 288
Temperature: 1.350000
Total energy: -287.232975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.232975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.232975 (E_RNA)
where:
Base-Base interactions energy: -137.761
where: short stacking energy: -78.720
Base-Backbone interact. energy: -0.283
local terms energy: -149.188719
where:
bonds (distance) C4'-P energy: -31.878
bonds (distance) P-C4' energy: -38.865
flat angles C4'-P-C4' energy: -38.367
flat angles P-C4'-P energy: -29.880
tors. eta vs tors. theta energy: -10.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -956.885046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.885046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.885046 (E_RNA)
where:
Base-Base interactions energy: -661.413
where: short stacking energy: -293.975
Base-Backbone interact. energy: -0.937
local terms energy: -294.535214
where:
bonds (distance) C4'-P energy: -50.039
bonds (distance) P-C4' energy: -52.922
flat angles C4'-P-C4' energy: -62.059
flat angles P-C4'-P energy: -41.123
tors. eta vs tors. theta energy: -88.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -936.229902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.229902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.229902 (E_RNA)
where:
Base-Base interactions energy: -643.256
where: short stacking energy: -278.406
Base-Backbone interact. energy: -0.815
local terms energy: -292.158151
where:
bonds (distance) C4'-P energy: -50.786
bonds (distance) P-C4' energy: -55.964
flat angles C4'-P-C4' energy: -59.323
flat angles P-C4'-P energy: -36.595
tors. eta vs tors. theta energy: -89.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -842.522573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.522573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.522573 (E_RNA)
where:
Base-Base interactions energy: -592.180
where: short stacking energy: -236.242
Base-Backbone interact. energy: -0.259
local terms energy: -250.083697
where:
bonds (distance) C4'-P energy: -53.601
bonds (distance) P-C4' energy: -50.505
flat angles C4'-P-C4' energy: -56.183
flat angles P-C4'-P energy: -28.398
tors. eta vs tors. theta energy: -61.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -814.480018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.480018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.480018 (E_RNA)
where:
Base-Base interactions energy: -561.775
where: short stacking energy: -232.635
Base-Backbone interact. energy: -1.783
local terms energy: -250.921749
where:
bonds (distance) C4'-P energy: -47.761
bonds (distance) P-C4' energy: -51.513
flat angles C4'-P-C4' energy: -58.194
flat angles P-C4'-P energy: -37.962
tors. eta vs tors. theta energy: -55.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -816.361976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.361976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.361976 (E_RNA)
where:
Base-Base interactions energy: -557.155
where: short stacking energy: -236.340
Base-Backbone interact. energy: -0.420
local terms energy: -258.787214
where:
bonds (distance) C4'-P energy: -42.003
bonds (distance) P-C4' energy: -52.810
flat angles C4'-P-C4' energy: -56.758
flat angles P-C4'-P energy: -39.213
tors. eta vs tors. theta energy: -68.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -803.394464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.394464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.394464 (E_RNA)
where:
Base-Base interactions energy: -552.493
where: short stacking energy: -241.210
Base-Backbone interact. energy: -0.357
local terms energy: -250.544851
where:
bonds (distance) C4'-P energy: -35.770
bonds (distance) P-C4' energy: -55.809
flat angles C4'-P-C4' energy: -52.282
flat angles P-C4'-P energy: -35.666
tors. eta vs tors. theta energy: -71.018
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: 9
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -691.999782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.999782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.999782 (E_RNA)
where:
Base-Base interactions energy: -471.961
where: short stacking energy: -187.234
Base-Backbone interact. energy: 0.640
local terms energy: -220.678648
where:
bonds (distance) C4'-P energy: -45.816
bonds (distance) P-C4' energy: -57.009
flat angles C4'-P-C4' energy: -43.756
flat angles P-C4'-P energy: -30.449
tors. eta vs tors. theta energy: -43.649
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: 8, replica: 7
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -612.655226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.655226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.655226 (E_RNA)
where:
Base-Base interactions energy: -408.104
where: short stacking energy: -170.502
Base-Backbone interact. energy: 0.437
local terms energy: -204.988208
where:
bonds (distance) C4'-P energy: -51.565
bonds (distance) P-C4' energy: -42.607
flat angles C4'-P-C4' energy: -44.356
flat angles P-C4'-P energy: -26.220
tors. eta vs tors. theta energy: -40.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -662.226487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.226487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.226487 (E_RNA)
where:
Base-Base interactions energy: -436.480
where: short stacking energy: -176.425
Base-Backbone interact. energy: -0.001
local terms energy: -225.745415
where:
bonds (distance) C4'-P energy: -41.574
bonds (distance) P-C4' energy: -44.074
flat angles C4'-P-C4' energy: -53.163
flat angles P-C4'-P energy: -31.878
tors. eta vs tors. theta energy: -55.057
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: 289
Temperature: 1.350000
Total energy: -232.891107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.891107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.891107 (E_RNA)
where:
Base-Base interactions energy: -100.124
where: short stacking energy: -69.615
Base-Backbone interact. energy: -0.238
local terms energy: -132.529157
where:
bonds (distance) C4'-P energy: -38.107
bonds (distance) P-C4' energy: -46.972
flat angles C4'-P-C4' energy: -23.338
flat angles P-C4'-P energy: -29.567
tors. eta vs tors. theta energy: 5.454
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: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -960.529416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.529416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.529416 (E_RNA)
where:
Base-Base interactions energy: -661.813
where: short stacking energy: -295.349
Base-Backbone interact. energy: -0.930
local terms energy: -297.786001
where:
bonds (distance) C4'-P energy: -54.090
bonds (distance) P-C4' energy: -54.735
flat angles C4'-P-C4' energy: -59.288
flat angles P-C4'-P energy: -41.480
tors. eta vs tors. theta energy: -88.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -928.209045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.209045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.209045 (E_RNA)
where:
Base-Base interactions energy: -647.627
where: short stacking energy: -269.982
Base-Backbone interact. energy: -0.755
local terms energy: -279.826742
where:
bonds (distance) C4'-P energy: -49.118
bonds (distance) P-C4' energy: -49.535
flat angles C4'-P-C4' energy: -60.202
flat angles P-C4'-P energy: -42.361
tors. eta vs tors. theta energy: -78.611
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: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -841.648419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.648419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.648419 (E_RNA)
where:
Base-Base interactions energy: -585.980
where: short stacking energy: -249.537
Base-Backbone interact. energy: 0.668
local terms energy: -256.336102
where:
bonds (distance) C4'-P energy: -46.127
bonds (distance) P-C4' energy: -56.606
flat angles C4'-P-C4' energy: -56.001
flat angles P-C4'-P energy: -33.250
tors. eta vs tors. theta energy: -64.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -848.966222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.966222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.966222 (E_RNA)
where:
Base-Base interactions energy: -579.312
where: short stacking energy: -235.934
Base-Backbone interact. energy: -0.962
local terms energy: -268.692653
where:
bonds (distance) C4'-P energy: -51.187
bonds (distance) P-C4' energy: -52.555
flat angles C4'-P-C4' energy: -57.155
flat angles P-C4'-P energy: -39.691
tors. eta vs tors. theta energy: -68.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -803.879687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.879687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.879687 (E_RNA)
where:
Base-Base interactions energy: -530.962
where: short stacking energy: -232.964
Base-Backbone interact. energy: -1.665
local terms energy: -271.252764
where:
bonds (distance) C4'-P energy: -52.453
bonds (distance) P-C4' energy: -56.555
flat angles C4'-P-C4' energy: -55.097
flat angles P-C4'-P energy: -42.056
tors. eta vs tors. theta energy: -65.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -808.109984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.109984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.109984 (E_RNA)
where:
Base-Base interactions energy: -561.086
where: short stacking energy: -246.583
Base-Backbone interact. energy: -0.327
local terms energy: -246.697270
where:
bonds (distance) C4'-P energy: -40.163
bonds (distance) P-C4' energy: -51.406
flat angles C4'-P-C4' energy: -54.429
flat angles P-C4'-P energy: -37.530
tors. eta vs tors. theta energy: -63.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -689.680929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.680929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.680929 (E_RNA)
where:
Base-Base interactions energy: -484.876
where: short stacking energy: -183.652
Base-Backbone interact. energy: 2.252
local terms energy: -207.057104
where:
bonds (distance) C4'-P energy: -45.822
bonds (distance) P-C4' energy: -44.436
flat angles C4'-P-C4' energy: -40.333
flat angles P-C4'-P energy: -24.968
tors. eta vs tors. theta energy: -51.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -558.137305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.137305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.137305 (E_RNA)
where:
Base-Base interactions energy: -358.373
where: short stacking energy: -170.781
Base-Backbone interact. energy: -1.790
local terms energy: -197.973605
where:
bonds (distance) C4'-P energy: -37.992
bonds (distance) P-C4' energy: -46.779
flat angles C4'-P-C4' energy: -42.608
flat angles P-C4'-P energy: -32.343
tors. eta vs tors. theta energy: -38.252
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: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -628.038615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.038615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.038615 (E_RNA)
where:
Base-Base interactions energy: -421.326
where: short stacking energy: -166.048
Base-Backbone interact. energy: 0.380
local terms energy: -207.093202
where:
bonds (distance) C4'-P energy: -34.523
bonds (distance) P-C4' energy: -38.993
flat angles C4'-P-C4' energy: -56.003
flat angles P-C4'-P energy: -30.249
tors. eta vs tors. theta energy: -47.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -212.497648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.497648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.497648 (E_RNA)
where:
Base-Base interactions energy: -49.266
where: short stacking energy: -47.456
Base-Backbone interact. energy: -0.831
local terms energy: -162.401451
where:
bonds (distance) C4'-P energy: -41.424
bonds (distance) P-C4' energy: -60.838
flat angles C4'-P-C4' energy: -37.741
flat angles P-C4'-P energy: -29.489
tors. eta vs tors. theta energy: 7.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -955.171127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.171127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.171127 (E_RNA)
where:
Base-Base interactions energy: -653.386
where: short stacking energy: -291.456
Base-Backbone interact. energy: -1.347
local terms energy: -300.438631
where:
bonds (distance) C4'-P energy: -55.663
bonds (distance) P-C4' energy: -52.161
flat angles C4'-P-C4' energy: -54.847
flat angles P-C4'-P energy: -48.719
tors. eta vs tors. theta energy: -89.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -938.599089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.599089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.599089 (E_RNA)
where:
Base-Base interactions energy: -644.343
where: short stacking energy: -285.696
Base-Backbone interact. energy: -0.091
local terms energy: -294.165600
where:
bonds (distance) C4'-P energy: -51.352
bonds (distance) P-C4' energy: -55.623
flat angles C4'-P-C4' energy: -60.923
flat angles P-C4'-P energy: -37.541
tors. eta vs tors. theta energy: -88.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -846.166758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.166758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.166758 (E_RNA)
where:
Base-Base interactions energy: -605.943
where: short stacking energy: -259.381
Base-Backbone interact. energy: -0.341
local terms energy: -239.882312
where:
bonds (distance) C4'-P energy: -43.618
bonds (distance) P-C4' energy: -39.055
flat angles C4'-P-C4' energy: -62.106
flat angles P-C4'-P energy: -33.418
tors. eta vs tors. theta energy: -61.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -853.398432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.398432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.398432 (E_RNA)
where:
Base-Base interactions energy: -592.039
where: short stacking energy: -256.911
Base-Backbone interact. energy: -0.546
local terms energy: -260.813832
where:
bonds (distance) C4'-P energy: -42.469
bonds (distance) P-C4' energy: -50.751
flat angles C4'-P-C4' energy: -55.977
flat angles P-C4'-P energy: -36.694
tors. eta vs tors. theta energy: -74.923
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: 291
Temperature: 1.100000
Total energy: -801.199920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.199920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.199920 (E_RNA)
where:
Base-Base interactions energy: -526.155
where: short stacking energy: -228.426
Base-Backbone interact. energy: -0.460
local terms energy: -274.584997
where:
bonds (distance) C4'-P energy: -55.357
bonds (distance) P-C4' energy: -56.069
flat angles C4'-P-C4' energy: -52.341
flat angles P-C4'-P energy: -43.709
tors. eta vs tors. theta energy: -67.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -779.655471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.655471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.655471 (E_RNA)
where:
Base-Base interactions energy: -544.254
where: short stacking energy: -237.843
Base-Backbone interact. energy: -0.166
local terms energy: -235.235993
where:
bonds (distance) C4'-P energy: -41.584
bonds (distance) P-C4' energy: -41.505
flat angles C4'-P-C4' energy: -50.363
flat angles P-C4'-P energy: -34.473
tors. eta vs tors. theta energy: -67.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -720.473595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.473595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.473595 (E_RNA)
where:
Base-Base interactions energy: -476.755
where: short stacking energy: -206.581
Base-Backbone interact. energy: -1.018
local terms energy: -242.699955
where:
bonds (distance) C4'-P energy: -40.897
bonds (distance) P-C4' energy: -53.170
flat angles C4'-P-C4' energy: -51.742
flat angles P-C4'-P energy: -31.651
tors. eta vs tors. theta energy: -65.241
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: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -620.436062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.436062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.436062 (E_RNA)
where:
Base-Base interactions energy: -411.028
where: short stacking energy: -171.301
Base-Backbone interact. energy: -1.350
local terms energy: -208.057848
where:
bonds (distance) C4'-P energy: -39.747
bonds (distance) P-C4' energy: -51.786
flat angles C4'-P-C4' energy: -38.414
flat angles P-C4'-P energy: -31.363
tors. eta vs tors. theta energy: -46.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -608.715281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.715281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.715281 (E_RNA)
where:
Base-Base interactions energy: -403.736
where: short stacking energy: -173.201
Base-Backbone interact. energy: -1.142
local terms energy: -203.836607
where:
bonds (distance) C4'-P energy: -44.204
bonds (distance) P-C4' energy: -50.156
flat angles C4'-P-C4' energy: -44.097
flat angles P-C4'-P energy: -27.506
tors. eta vs tors. theta energy: -37.874
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: 291
Temperature: 1.350000
Total energy: -222.471320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.471320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.471320 (E_RNA)
where:
Base-Base interactions energy: -79.817
where: short stacking energy: -71.675
Base-Backbone interact. energy: -0.840
local terms energy: -141.815089
where:
bonds (distance) C4'-P energy: -37.241
bonds (distance) P-C4' energy: -54.880
flat angles C4'-P-C4' energy: -35.265
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: 1.737
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: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -944.253718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.253718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.253718 (E_RNA)
where:
Base-Base interactions energy: -661.946
where: short stacking energy: -285.726
Base-Backbone interact. energy: -1.649
local terms energy: -280.659097
where:
bonds (distance) C4'-P energy: -55.639
bonds (distance) P-C4' energy: -50.608
flat angles C4'-P-C4' energy: -55.081
flat angles P-C4'-P energy: -33.983
tors. eta vs tors. theta energy: -85.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -934.211045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.211045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.211045 (E_RNA)
where:
Base-Base interactions energy: -646.684
where: short stacking energy: -283.760
Base-Backbone interact. energy: -0.757
local terms energy: -286.770051
where:
bonds (distance) C4'-P energy: -50.459
bonds (distance) P-C4' energy: -57.268
flat angles C4'-P-C4' energy: -59.003
flat angles P-C4'-P energy: -34.697
tors. eta vs tors. theta energy: -85.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -843.323767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.323767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.323767 (E_RNA)
where:
Base-Base interactions energy: -572.280
where: short stacking energy: -240.338
Base-Backbone interact. energy: 0.305
local terms energy: -271.348833
where:
bonds (distance) C4'-P energy: -54.758
bonds (distance) P-C4' energy: -52.036
flat angles C4'-P-C4' energy: -60.898
flat angles P-C4'-P energy: -37.309
tors. eta vs tors. theta energy: -66.347
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: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -838.307204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.307204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.307204 (E_RNA)
where:
Base-Base interactions energy: -578.899
where: short stacking energy: -256.271
Base-Backbone interact. energy: -0.490
local terms energy: -258.918170
where:
bonds (distance) C4'-P energy: -51.085
bonds (distance) P-C4' energy: -48.574
flat angles C4'-P-C4' energy: -51.584
flat angles P-C4'-P energy: -32.443
tors. eta vs tors. theta energy: -75.232
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: 292
Temperature: 1.100000
Total energy: -800.430339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.430339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.430339 (E_RNA)
where:
Base-Base interactions energy: -544.243
where: short stacking energy: -238.573
Base-Backbone interact. energy: -0.527
local terms energy: -255.660229
where:
bonds (distance) C4'-P energy: -49.388
bonds (distance) P-C4' energy: -52.954
flat angles C4'-P-C4' energy: -54.423
flat angles P-C4'-P energy: -33.473
tors. eta vs tors. theta energy: -65.422
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: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -788.230286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.230286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.230286 (E_RNA)
where:
Base-Base interactions energy: -547.387
where: short stacking energy: -221.699
Base-Backbone interact. energy: -0.323
local terms energy: -240.520376
where:
bonds (distance) C4'-P energy: -48.859
bonds (distance) P-C4' energy: -53.014
flat angles C4'-P-C4' energy: -50.173
flat angles P-C4'-P energy: -28.557
tors. eta vs tors. theta energy: -59.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -715.901511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.901511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.901511 (E_RNA)
where:
Base-Base interactions energy: -479.078
where: short stacking energy: -207.573
Base-Backbone interact. energy: 0.303
local terms energy: -237.126175
where:
bonds (distance) C4'-P energy: -47.651
bonds (distance) P-C4' energy: -48.865
flat angles C4'-P-C4' energy: -57.197
flat angles P-C4'-P energy: -31.524
tors. eta vs tors. theta energy: -51.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -613.265424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.265424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.265424 (E_RNA)
where:
Base-Base interactions energy: -394.779
where: short stacking energy: -179.278
Base-Backbone interact. energy: -2.029
local terms energy: -216.457475
where:
bonds (distance) C4'-P energy: -52.939
bonds (distance) P-C4' energy: -49.818
flat angles C4'-P-C4' energy: -41.389
flat angles P-C4'-P energy: -31.178
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: 9, replica: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -554.598667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.598667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.598667 (E_RNA)
where:
Base-Base interactions energy: -356.531
where: short stacking energy: -150.372
Base-Backbone interact. energy: 3.487
local terms energy: -201.554767
where:
bonds (distance) C4'-P energy: -44.852
bonds (distance) P-C4' energy: -52.993
flat angles C4'-P-C4' energy: -37.644
flat angles P-C4'-P energy: -33.864
tors. eta vs tors. theta energy: -32.202
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: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -218.778413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.778413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.778413 (E_RNA)
where:
Base-Base interactions energy: -65.452
where: short stacking energy: -55.673
Base-Backbone interact. energy: 0.243
local terms energy: -153.569708
where:
bonds (distance) C4'-P energy: -47.371
bonds (distance) P-C4' energy: -54.319
flat angles C4'-P-C4' energy: -35.023
flat angles P-C4'-P energy: -21.696
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: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -944.810534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.810534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.810534 (E_RNA)
where:
Base-Base interactions energy: -653.196
where: short stacking energy: -289.870
Base-Backbone interact. energy: -0.887
local terms energy: -290.727068
where:
bonds (distance) C4'-P energy: -49.756
bonds (distance) P-C4' energy: -53.284
flat angles C4'-P-C4' energy: -59.278
flat angles P-C4'-P energy: -41.681
tors. eta vs tors. theta energy: -86.728
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: 293
Temperature: 0.950000
Total energy: -922.605607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.605607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.605607 (E_RNA)
where:
Base-Base interactions energy: -631.325
where: short stacking energy: -274.589
Base-Backbone interact. energy: 1.298
local terms energy: -292.578542
where:
bonds (distance) C4'-P energy: -56.545
bonds (distance) P-C4' energy: -46.450
flat angles C4'-P-C4' energy: -63.811
flat angles P-C4'-P energy: -42.026
tors. eta vs tors. theta energy: -83.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -846.525739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.525739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.525739 (E_RNA)
where:
Base-Base interactions energy: -562.605
where: short stacking energy: -236.916
Base-Backbone interact. energy: -0.313
local terms energy: -283.606892
where:
bonds (distance) C4'-P energy: -55.155
bonds (distance) P-C4' energy: -53.361
flat angles C4'-P-C4' energy: -63.354
flat angles P-C4'-P energy: -39.015
tors. eta vs tors. theta energy: -72.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -816.150528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.150528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.150528 (E_RNA)
where:
Base-Base interactions energy: -573.774
where: short stacking energy: -249.544
Base-Backbone interact. energy: -0.784
local terms energy: -241.592234
where:
bonds (distance) C4'-P energy: -35.652
bonds (distance) P-C4' energy: -53.253
flat angles C4'-P-C4' energy: -57.730
flat angles P-C4'-P energy: -29.274
tors. eta vs tors. theta energy: -65.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -806.407867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.407867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.407867 (E_RNA)
where:
Base-Base interactions energy: -563.976
where: short stacking energy: -240.443
Base-Backbone interact. energy: -0.618
local terms energy: -241.813084
where:
bonds (distance) C4'-P energy: -42.925
bonds (distance) P-C4' energy: -43.031
flat angles C4'-P-C4' energy: -45.278
flat angles P-C4'-P energy: -44.412
tors. eta vs tors. theta energy: -66.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -816.518947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.518947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.518947 (E_RNA)
where:
Base-Base interactions energy: -569.883
where: short stacking energy: -247.507
Base-Backbone interact. energy: 0.584
local terms energy: -247.220636
where:
bonds (distance) C4'-P energy: -42.517
bonds (distance) P-C4' energy: -49.024
flat angles C4'-P-C4' energy: -42.486
flat angles P-C4'-P energy: -41.914
tors. eta vs tors. theta energy: -71.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -728.756724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.756724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.756724 (E_RNA)
where:
Base-Base interactions energy: -501.798
where: short stacking energy: -211.572
Base-Backbone interact. energy: -1.139
local terms energy: -225.819768
where:
bonds (distance) C4'-P energy: -47.268
bonds (distance) P-C4' energy: -47.822
flat angles C4'-P-C4' energy: -50.214
flat angles P-C4'-P energy: -26.411
tors. eta vs tors. theta energy: -54.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -582.472368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.472368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.472368 (E_RNA)
where:
Base-Base interactions energy: -372.214
where: short stacking energy: -187.772
Base-Backbone interact. energy: 3.511
local terms energy: -213.769040
where:
bonds (distance) C4'-P energy: -38.376
bonds (distance) P-C4' energy: -50.657
flat angles C4'-P-C4' energy: -48.657
flat angles P-C4'-P energy: -21.976
tors. eta vs tors. theta energy: -54.103
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: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -576.442164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.442164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.442164 (E_RNA)
where:
Base-Base interactions energy: -386.915
where: short stacking energy: -175.050
Base-Backbone interact. energy: -0.615
local terms energy: -188.911470
where:
bonds (distance) C4'-P energy: -28.908
bonds (distance) P-C4' energy: -40.266
flat angles C4'-P-C4' energy: -52.736
flat angles P-C4'-P energy: -28.618
tors. eta vs tors. theta energy: -38.383
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: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -222.219453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.219453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.219453 (E_RNA)
where:
Base-Base interactions energy: -73.954
where: short stacking energy: -58.608
Base-Backbone interact. energy: -1.531
local terms energy: -146.734236
where:
bonds (distance) C4'-P energy: -37.554
bonds (distance) P-C4' energy: -46.777
flat angles C4'-P-C4' energy: -47.695
flat angles P-C4'-P energy: -22.968
tors. eta vs tors. theta energy: 8.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -951.388079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.388079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.388079 (E_RNA)
where:
Base-Base interactions energy: -661.266
where: short stacking energy: -287.712
Base-Backbone interact. energy: -1.648
local terms energy: -288.474332
where:
bonds (distance) C4'-P energy: -50.275
bonds (distance) P-C4' energy: -50.720
flat angles C4'-P-C4' energy: -63.772
flat angles P-C4'-P energy: -37.731
tors. eta vs tors. theta energy: -85.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -939.935332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.935332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.935332 (E_RNA)
where:
Base-Base interactions energy: -646.289
where: short stacking energy: -299.273
Base-Backbone interact. energy: -0.163
local terms energy: -293.483929
where:
bonds (distance) C4'-P energy: -46.360
bonds (distance) P-C4' energy: -54.958
flat angles C4'-P-C4' energy: -56.738
flat angles P-C4'-P energy: -43.736
tors. eta vs tors. theta energy: -91.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -834.705049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.705049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.705049 (E_RNA)
where:
Base-Base interactions energy: -562.572
where: short stacking energy: -235.025
Base-Backbone interact. energy: -0.351
local terms energy: -271.781545
where:
bonds (distance) C4'-P energy: -53.343
bonds (distance) P-C4' energy: -55.490
flat angles C4'-P-C4' energy: -57.610
flat angles P-C4'-P energy: -36.730
tors. eta vs tors. theta energy: -68.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -816.498141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.498141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.498141 (E_RNA)
where:
Base-Base interactions energy: -559.636
where: short stacking energy: -242.511
Base-Backbone interact. energy: 0.261
local terms energy: -257.122910
where:
bonds (distance) C4'-P energy: -48.360
bonds (distance) P-C4' energy: -39.211
flat angles C4'-P-C4' energy: -58.847
flat angles P-C4'-P energy: -46.589
tors. eta vs tors. theta energy: -64.116
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: 2
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -796.020944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.020944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.020944 (E_RNA)
where:
Base-Base interactions energy: -521.398
where: short stacking energy: -236.885
Base-Backbone interact. energy: -0.202
local terms energy: -274.420081
where:
bonds (distance) C4'-P energy: -53.355
bonds (distance) P-C4' energy: -50.309
flat angles C4'-P-C4' energy: -62.311
flat angles P-C4'-P energy: -35.216
tors. eta vs tors. theta energy: -73.229
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: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -761.833537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.833537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.833537 (E_RNA)
where:
Base-Base interactions energy: -513.429
where: short stacking energy: -212.117
Base-Backbone interact. energy: -0.569
local terms energy: -247.834877
where:
bonds (distance) C4'-P energy: -51.435
bonds (distance) P-C4' energy: -47.457
flat angles C4'-P-C4' energy: -54.408
flat angles P-C4'-P energy: -36.876
tors. eta vs tors. theta energy: -57.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -741.008748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.008748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.008748 (E_RNA)
where:
Base-Base interactions energy: -513.193
where: short stacking energy: -215.004
Base-Backbone interact. energy: -0.070
local terms energy: -227.746359
where:
bonds (distance) C4'-P energy: -37.165
bonds (distance) P-C4' energy: -47.858
flat angles C4'-P-C4' energy: -55.519
flat angles P-C4'-P energy: -30.260
tors. eta vs tors. theta energy: -56.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -591.221714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.221714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.221714 (E_RNA)
where:
Base-Base interactions energy: -405.361
where: short stacking energy: -172.389
Base-Backbone interact. energy: -0.960
local terms energy: -184.900743
where:
bonds (distance) C4'-P energy: -40.588
bonds (distance) P-C4' energy: -48.247
flat angles C4'-P-C4' energy: -34.382
flat angles P-C4'-P energy: -25.319
tors. eta vs tors. theta energy: -36.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -665.236248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.236248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.236248 (E_RNA)
where:
Base-Base interactions energy: -476.024
where: short stacking energy: -194.519
Base-Backbone interact. energy: 0.983
local terms energy: -190.194963
where:
bonds (distance) C4'-P energy: -40.822
bonds (distance) P-C4' energy: -30.743
flat angles C4'-P-C4' energy: -43.234
flat angles P-C4'-P energy: -33.052
tors. eta vs tors. theta energy: -42.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -217.296797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.296797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.296797 (E_RNA)
where:
Base-Base interactions energy: -76.480
where: short stacking energy: -46.563
Base-Backbone interact. energy: -1.283
local terms energy: -139.534008
where:
bonds (distance) C4'-P energy: -41.863
bonds (distance) P-C4' energy: -52.550
flat angles C4'-P-C4' energy: -41.650
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: 12.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -959.118076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.118076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.118076 (E_RNA)
where:
Base-Base interactions energy: -663.900
where: short stacking energy: -295.749
Base-Backbone interact. energy: -1.642
local terms energy: -293.576480
where:
bonds (distance) C4'-P energy: -53.511
bonds (distance) P-C4' energy: -49.198
flat angles C4'-P-C4' energy: -59.454
flat angles P-C4'-P energy: -39.323
tors. eta vs tors. theta energy: -92.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -947.003798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.003798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.003798 (E_RNA)
where:
Base-Base interactions energy: -664.850
where: short stacking energy: -294.910
Base-Backbone interact. energy: -1.521
local terms energy: -280.632030
where:
bonds (distance) C4'-P energy: -48.351
bonds (distance) P-C4' energy: -54.395
flat angles C4'-P-C4' energy: -55.660
flat angles P-C4'-P energy: -38.191
tors. eta vs tors. theta energy: -84.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -817.884885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.884885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.884885 (E_RNA)
where:
Base-Base interactions energy: -562.194
where: short stacking energy: -228.664
Base-Backbone interact. energy: -1.693
local terms energy: -253.998408
where:
bonds (distance) C4'-P energy: -55.339
bonds (distance) P-C4' energy: -46.957
flat angles C4'-P-C4' energy: -53.877
flat angles P-C4'-P energy: -40.685
tors. eta vs tors. theta energy: -57.139
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: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -853.308924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.308924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.308924 (E_RNA)
where:
Base-Base interactions energy: -561.808
where: short stacking energy: -258.228
Base-Backbone interact. energy: -1.064
local terms energy: -290.437241
where:
bonds (distance) C4'-P energy: -41.939
bonds (distance) P-C4' energy: -57.499
flat angles C4'-P-C4' energy: -62.790
flat angles P-C4'-P energy: -49.515
tors. eta vs tors. theta energy: -78.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -822.879238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.879238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.879238 (E_RNA)
where:
Base-Base interactions energy: -578.705
where: short stacking energy: -237.558
Base-Backbone interact. energy: -1.381
local terms energy: -242.793915
where:
bonds (distance) C4'-P energy: -43.606
bonds (distance) P-C4' energy: -41.631
flat angles C4'-P-C4' energy: -61.132
flat angles P-C4'-P energy: -37.949
tors. eta vs tors. theta energy: -58.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -776.419588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.419588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.419588 (E_RNA)
where:
Base-Base interactions energy: -527.048
where: short stacking energy: -215.290
Base-Backbone interact. energy: -0.731
local terms energy: -248.640353
where:
bonds (distance) C4'-P energy: -44.880
bonds (distance) P-C4' energy: -52.844
flat angles C4'-P-C4' energy: -45.162
flat angles P-C4'-P energy: -38.849
tors. eta vs tors. theta energy: -66.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -723.500509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.500509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.500509 (E_RNA)
where:
Base-Base interactions energy: -510.235
where: short stacking energy: -209.703
Base-Backbone interact. energy: -0.745
local terms energy: -212.519978
where:
bonds (distance) C4'-P energy: -35.389
bonds (distance) P-C4' energy: -35.707
flat angles C4'-P-C4' energy: -52.728
flat angles P-C4'-P energy: -33.772
tors. eta vs tors. theta energy: -54.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -653.700312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.700312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.700312 (E_RNA)
where:
Base-Base interactions energy: -427.051
where: short stacking energy: -185.993
Base-Backbone interact. energy: 0.214
local terms energy: -226.862555
where:
bonds (distance) C4'-P energy: -38.912
bonds (distance) P-C4' energy: -50.646
flat angles C4'-P-C4' energy: -52.421
flat angles P-C4'-P energy: -35.185
tors. eta vs tors. theta energy: -49.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -525.038115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.038115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.038115 (E_RNA)
where:
Base-Base interactions energy: -355.249
where: short stacking energy: -162.828
Base-Backbone interact. energy: -1.247
local terms energy: -168.542166
where:
bonds (distance) C4'-P energy: -37.961
bonds (distance) P-C4' energy: -28.743
flat angles C4'-P-C4' energy: -43.894
flat angles P-C4'-P energy: -27.660
tors. eta vs tors. theta energy: -30.284
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: 295
Temperature: 1.350000
Total energy: -233.057770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.057770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.057770 (E_RNA)
where:
Base-Base interactions energy: -82.977
where: short stacking energy: -59.250
Base-Backbone interact. energy: -1.459
local terms energy: -148.620944
where:
bonds (distance) C4'-P energy: -49.714
bonds (distance) P-C4' energy: -40.926
flat angles C4'-P-C4' energy: -41.796
flat angles P-C4'-P energy: -19.308
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: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -957.299854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.299854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.299854 (E_RNA)
where:
Base-Base interactions energy: -665.811
where: short stacking energy: -289.140
Base-Backbone interact. energy: -1.125
local terms energy: -290.363485
where:
bonds (distance) C4'-P energy: -47.573
bonds (distance) P-C4' energy: -49.136
flat angles C4'-P-C4' energy: -58.131
flat angles P-C4'-P energy: -43.248
tors. eta vs tors. theta energy: -92.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -957.556454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.556454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.556454 (E_RNA)
where:
Base-Base interactions energy: -656.512
where: short stacking energy: -295.847
Base-Backbone interact. energy: 0.029
local terms energy: -301.073660
where:
bonds (distance) C4'-P energy: -53.323
bonds (distance) P-C4' energy: -52.442
flat angles C4'-P-C4' energy: -63.960
flat angles P-C4'-P energy: -43.337
tors. eta vs tors. theta energy: -88.011
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: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -861.461290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.461290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.461290 (E_RNA)
where:
Base-Base interactions energy: -605.611
where: short stacking energy: -255.216
Base-Backbone interact. energy: 0.699
local terms energy: -256.549637
where:
bonds (distance) C4'-P energy: -48.900
bonds (distance) P-C4' energy: -47.831
flat angles C4'-P-C4' energy: -64.019
flat angles P-C4'-P energy: -26.482
tors. eta vs tors. theta energy: -69.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -828.908752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.908752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.908752 (E_RNA)
where:
Base-Base interactions energy: -574.249
where: short stacking energy: -242.966
Base-Backbone interact. energy: -0.711
local terms energy: -253.948981
where:
bonds (distance) C4'-P energy: -31.781
bonds (distance) P-C4' energy: -53.242
flat angles C4'-P-C4' energy: -55.777
flat angles P-C4'-P energy: -38.722
tors. eta vs tors. theta energy: -74.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -801.991565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.991565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.991565 (E_RNA)
where:
Base-Base interactions energy: -551.005
where: short stacking energy: -256.635
Base-Backbone interact. energy: -0.442
local terms energy: -250.544375
where:
bonds (distance) C4'-P energy: -48.414
bonds (distance) P-C4' energy: -42.301
flat angles C4'-P-C4' energy: -48.144
flat angles P-C4'-P energy: -35.882
tors. eta vs tors. theta energy: -75.803
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: 6
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -795.662683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.662683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.662683 (E_RNA)
where:
Base-Base interactions energy: -556.760
where: short stacking energy: -249.796
Base-Backbone interact. energy: -0.899
local terms energy: -238.003627
where:
bonds (distance) C4'-P energy: -36.956
bonds (distance) P-C4' energy: -44.509
flat angles C4'-P-C4' energy: -50.269
flat angles P-C4'-P energy: -39.450
tors. eta vs tors. theta energy: -66.819
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: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -664.821897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.821897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.821897 (E_RNA)
where:
Base-Base interactions energy: -452.622
where: short stacking energy: -196.957
Base-Backbone interact. energy: -1.146
local terms energy: -211.054375
where:
bonds (distance) C4'-P energy: -31.429
bonds (distance) P-C4' energy: -47.724
flat angles C4'-P-C4' energy: -55.954
flat angles P-C4'-P energy: -26.489
tors. eta vs tors. theta energy: -49.459
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: 8, replica: 9
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -719.468152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.468152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.468152 (E_RNA)
where:
Base-Base interactions energy: -505.017
where: short stacking energy: -198.114
Base-Backbone interact. energy: 0.134
local terms energy: -214.584662
where:
bonds (distance) C4'-P energy: -41.298
bonds (distance) P-C4' energy: -38.652
flat angles C4'-P-C4' energy: -42.274
flat angles P-C4'-P energy: -39.871
tors. eta vs tors. theta energy: -52.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -507.317956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.317956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.317956 (E_RNA)
where:
Base-Base interactions energy: -332.170
where: short stacking energy: -120.690
Base-Backbone interact. energy: -2.198
local terms energy: -172.949745
where:
bonds (distance) C4'-P energy: -34.259
bonds (distance) P-C4' energy: -39.466
flat angles C4'-P-C4' energy: -45.400
flat angles P-C4'-P energy: -32.850
tors. eta vs tors. theta energy: -20.975
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: 296
Temperature: 1.350000
Total energy: -228.830165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.830165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.830165 (E_RNA)
where:
Base-Base interactions energy: -65.189
where: short stacking energy: -62.672
Base-Backbone interact. energy: -1.333
local terms energy: -162.307813
where:
bonds (distance) C4'-P energy: -46.928
bonds (distance) P-C4' energy: -52.012
flat angles C4'-P-C4' energy: -40.532
flat angles P-C4'-P energy: -30.004
tors. eta vs tors. theta energy: 7.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -950.500280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.500280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.500280 (E_RNA)
where:
Base-Base interactions energy: -650.659
where: short stacking energy: -293.348
Base-Backbone interact. energy: -0.999
local terms energy: -298.842465
where:
bonds (distance) C4'-P energy: -52.783
bonds (distance) P-C4' energy: -57.335
flat angles C4'-P-C4' energy: -58.626
flat angles P-C4'-P energy: -36.443
tors. eta vs tors. theta energy: -93.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -935.186326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.186326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.186326 (E_RNA)
where:
Base-Base interactions energy: -651.383
where: short stacking energy: -281.133
Base-Backbone interact. energy: -0.823
local terms energy: -282.979809
where:
bonds (distance) C4'-P energy: -47.537
bonds (distance) P-C4' energy: -55.196
flat angles C4'-P-C4' energy: -54.308
flat angles P-C4'-P energy: -38.795
tors. eta vs tors. theta energy: -87.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -882.138830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.138830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.138830 (E_RNA)
where:
Base-Base interactions energy: -596.549
where: short stacking energy: -267.603
Base-Backbone interact. energy: -1.176
local terms energy: -284.413292
where:
bonds (distance) C4'-P energy: -48.966
bonds (distance) P-C4' energy: -61.295
flat angles C4'-P-C4' energy: -60.748
flat angles P-C4'-P energy: -35.564
tors. eta vs tors. theta energy: -77.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -836.161524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.161524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.161524 (E_RNA)
where:
Base-Base interactions energy: -576.811
where: short stacking energy: -258.954
Base-Backbone interact. energy: -0.923
local terms energy: -258.427362
where:
bonds (distance) C4'-P energy: -52.473
bonds (distance) P-C4' energy: -51.416
flat angles C4'-P-C4' energy: -46.018
flat angles P-C4'-P energy: -41.472
tors. eta vs tors. theta energy: -67.049
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: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -814.809857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.809857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.809857 (E_RNA)
where:
Base-Base interactions energy: -562.719
where: short stacking energy: -238.778
Base-Backbone interact. energy: 0.860
local terms energy: -252.951207
where:
bonds (distance) C4'-P energy: -49.737
bonds (distance) P-C4' energy: -53.607
flat angles C4'-P-C4' energy: -55.411
flat angles P-C4'-P energy: -25.424
tors. eta vs tors. theta energy: -68.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -781.152991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.152991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.152991 (E_RNA)
where:
Base-Base interactions energy: -544.177
where: short stacking energy: -229.521
Base-Backbone interact. energy: -1.080
local terms energy: -235.896360
where:
bonds (distance) C4'-P energy: -39.065
bonds (distance) P-C4' energy: -54.244
flat angles C4'-P-C4' energy: -47.917
flat angles P-C4'-P energy: -29.640
tors. eta vs tors. theta energy: -65.030
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: 297
Temperature: 1.200000
Total energy: -673.169858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.169858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.169858 (E_RNA)
where:
Base-Base interactions energy: -455.180
where: short stacking energy: -204.650
Base-Backbone interact. energy: -0.484
local terms energy: -217.505769
where:
bonds (distance) C4'-P energy: -46.693
bonds (distance) P-C4' energy: -46.000
flat angles C4'-P-C4' energy: -44.061
flat angles P-C4'-P energy: -25.471
tors. eta vs tors. theta energy: -55.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -740.134044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.134044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.134044 (E_RNA)
where:
Base-Base interactions energy: -531.553
where: short stacking energy: -203.264
Base-Backbone interact. energy: 1.675
local terms energy: -210.256053
where:
bonds (distance) C4'-P energy: -44.807
bonds (distance) P-C4' energy: -27.482
flat angles C4'-P-C4' energy: -39.360
flat angles P-C4'-P energy: -37.248
tors. eta vs tors. theta energy: -61.358
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: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -438.212867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.212867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.212867 (E_RNA)
where:
Base-Base interactions energy: -278.734
where: short stacking energy: -146.635
Base-Backbone interact. energy: 1.325
local terms energy: -160.803475
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -36.023
flat angles C4'-P-C4' energy: -48.169
flat angles P-C4'-P energy: -20.798
tors. eta vs tors. theta energy: -24.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -203.778414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.778414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.778414 (E_RNA)
where:
Base-Base interactions energy: -74.736
where: short stacking energy: -68.865
Base-Backbone interact. energy: -0.473
local terms energy: -128.569222
where:
bonds (distance) C4'-P energy: -50.020
bonds (distance) P-C4' energy: -40.754
flat angles C4'-P-C4' energy: -28.618
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: 6.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -958.785907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.785907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.785907 (E_RNA)
where:
Base-Base interactions energy: -661.934
where: short stacking energy: -297.006
Base-Backbone interact. energy: -0.963
local terms energy: -295.889265
where:
bonds (distance) C4'-P energy: -48.485
bonds (distance) P-C4' energy: -58.745
flat angles C4'-P-C4' energy: -58.178
flat angles P-C4'-P energy: -41.196
tors. eta vs tors. theta energy: -89.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -945.034036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.034036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.034036 (E_RNA)
where:
Base-Base interactions energy: -647.224
where: short stacking energy: -289.510
Base-Backbone interact. energy: -1.142
local terms energy: -296.667927
where:
bonds (distance) C4'-P energy: -58.021
bonds (distance) P-C4' energy: -49.794
flat angles C4'-P-C4' energy: -59.629
flat angles P-C4'-P energy: -43.822
tors. eta vs tors. theta energy: -85.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -833.445342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.445342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.445342 (E_RNA)
where:
Base-Base interactions energy: -578.301
where: short stacking energy: -243.265
Base-Backbone interact. energy: -0.445
local terms energy: -254.699650
where:
bonds (distance) C4'-P energy: -50.615
bonds (distance) P-C4' energy: -48.484
flat angles C4'-P-C4' energy: -48.930
flat angles P-C4'-P energy: -40.507
tors. eta vs tors. theta energy: -66.164
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: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -790.896618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.896618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.896618 (E_RNA)
where:
Base-Base interactions energy: -549.133
where: short stacking energy: -242.083
Base-Backbone interact. energy: -1.554
local terms energy: -240.209416
where:
bonds (distance) C4'-P energy: -38.913
bonds (distance) P-C4' energy: -42.572
flat angles C4'-P-C4' energy: -57.479
flat angles P-C4'-P energy: -33.962
tors. eta vs tors. theta energy: -67.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -814.144811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.144811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.144811 (E_RNA)
where:
Base-Base interactions energy: -564.603
where: short stacking energy: -250.493
Base-Backbone interact. energy: -1.458
local terms energy: -248.084076
where:
bonds (distance) C4'-P energy: -42.133
bonds (distance) P-C4' energy: -50.274
flat angles C4'-P-C4' energy: -52.719
flat angles P-C4'-P energy: -36.804
tors. eta vs tors. theta energy: -66.154
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: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -804.259884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.259884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.259884 (E_RNA)
where:
Base-Base interactions energy: -570.069
where: short stacking energy: -243.329
Base-Backbone interact. energy: -0.198
local terms energy: -233.992469
where:
bonds (distance) C4'-P energy: -45.724
bonds (distance) P-C4' energy: -34.384
flat angles C4'-P-C4' energy: -54.831
flat angles P-C4'-P energy: -28.840
tors. eta vs tors. theta energy: -70.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -703.289982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.289982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.289982 (E_RNA)
where:
Base-Base interactions energy: -480.971
where: short stacking energy: -219.096
Base-Backbone interact. energy: -0.227
local terms energy: -222.091665
where:
bonds (distance) C4'-P energy: -37.492
bonds (distance) P-C4' energy: -46.109
flat angles C4'-P-C4' energy: -47.946
flat angles P-C4'-P energy: -30.722
tors. eta vs tors. theta energy: -59.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -677.608962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.608962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.608962 (E_RNA)
where:
Base-Base interactions energy: -471.180
where: short stacking energy: -190.741
Base-Backbone interact. energy: -0.372
local terms energy: -206.056883
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -49.214
flat angles C4'-P-C4' energy: -47.455
flat angles P-C4'-P energy: -34.224
tors. eta vs tors. theta energy: -48.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -439.873380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.873380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.873380 (E_RNA)
where:
Base-Base interactions energy: -260.409
where: short stacking energy: -115.567
Base-Backbone interact. energy: -0.900
local terms energy: -178.565056
where:
bonds (distance) C4'-P energy: -46.092
bonds (distance) P-C4' energy: -56.300
flat angles C4'-P-C4' energy: -43.496
flat angles P-C4'-P energy: -24.763
tors. eta vs tors. theta energy: -7.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -219.742259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.742259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.742259 (E_RNA)
where:
Base-Base interactions energy: -81.584
where: short stacking energy: -73.069
Base-Backbone interact. energy: -1.155
local terms energy: -137.003418
where:
bonds (distance) C4'-P energy: -39.008
bonds (distance) P-C4' energy: -42.043
flat angles C4'-P-C4' energy: -31.777
flat angles P-C4'-P energy: -22.951
tors. eta vs tors. theta energy: -1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -968.536855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.536855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.536855 (E_RNA)
where:
Base-Base interactions energy: -677.543
where: short stacking energy: -298.709
Base-Backbone interact. energy: -1.378
local terms energy: -289.616656
where:
bonds (distance) C4'-P energy: -40.554
bonds (distance) P-C4' energy: -59.005
flat angles C4'-P-C4' energy: -61.658
flat angles P-C4'-P energy: -38.545
tors. eta vs tors. theta energy: -89.855
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: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -941.925425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.925425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.925425 (E_RNA)
where:
Base-Base interactions energy: -644.863
where: short stacking energy: -295.147
Base-Backbone interact. energy: -2.028
local terms energy: -295.034939
where:
bonds (distance) C4'-P energy: -44.648
bonds (distance) P-C4' energy: -54.240
flat angles C4'-P-C4' energy: -63.740
flat angles P-C4'-P energy: -41.149
tors. eta vs tors. theta energy: -91.258
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: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -848.132122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.132122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.132122 (E_RNA)
where:
Base-Base interactions energy: -593.521
where: short stacking energy: -251.900
Base-Backbone interact. energy: -0.888
local terms energy: -253.723054
where:
bonds (distance) C4'-P energy: -49.484
bonds (distance) P-C4' energy: -54.250
flat angles C4'-P-C4' energy: -53.923
flat angles P-C4'-P energy: -32.390
tors. eta vs tors. theta energy: -63.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -815.152061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.152061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.152061 (E_RNA)
where:
Base-Base interactions energy: -553.026
where: short stacking energy: -240.073
Base-Backbone interact. energy: -0.542
local terms energy: -261.583922
where:
bonds (distance) C4'-P energy: -48.108
bonds (distance) P-C4' energy: -47.049
flat angles C4'-P-C4' energy: -55.307
flat angles P-C4'-P energy: -37.552
tors. eta vs tors. theta energy: -73.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -813.841577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.841577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.841577 (E_RNA)
where:
Base-Base interactions energy: -544.429
where: short stacking energy: -244.738
Base-Backbone interact. energy: -0.399
local terms energy: -269.014125
where:
bonds (distance) C4'-P energy: -46.018
bonds (distance) P-C4' energy: -51.994
flat angles C4'-P-C4' energy: -60.219
flat angles P-C4'-P energy: -40.704
tors. eta vs tors. theta energy: -70.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -801.632170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.632170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.632170 (E_RNA)
where:
Base-Base interactions energy: -561.005
where: short stacking energy: -231.861
Base-Backbone interact. energy: -1.115
local terms energy: -239.512165
where:
bonds (distance) C4'-P energy: -37.408
bonds (distance) P-C4' energy: -48.787
flat angles C4'-P-C4' energy: -57.342
flat angles P-C4'-P energy: -27.589
tors. eta vs tors. theta energy: -68.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -649.457884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.457884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.457884 (E_RNA)
where:
Base-Base interactions energy: -441.244
where: short stacking energy: -202.055
Base-Backbone interact. energy: -1.379
local terms energy: -206.834801
where:
bonds (distance) C4'-P energy: -50.074
bonds (distance) P-C4' energy: -36.973
flat angles C4'-P-C4' energy: -42.488
flat angles P-C4'-P energy: -31.756
tors. eta vs tors. theta energy: -45.544
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: 8, replica: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -701.013276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.013276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.013276 (E_RNA)
where:
Base-Base interactions energy: -478.818
where: short stacking energy: -199.072
Base-Backbone interact. energy: 0.748
local terms energy: -222.943370
where:
bonds (distance) C4'-P energy: -40.758
bonds (distance) P-C4' energy: -43.499
flat angles C4'-P-C4' energy: -50.955
flat angles P-C4'-P energy: -31.133
tors. eta vs tors. theta energy: -56.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -447.329564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.329564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.329564 (E_RNA)
where:
Base-Base interactions energy: -273.283
where: short stacking energy: -127.937
Base-Backbone interact. energy: -0.408
local terms energy: -173.638284
where:
bonds (distance) C4'-P energy: -43.416
bonds (distance) P-C4' energy: -37.145
flat angles C4'-P-C4' energy: -48.125
flat angles P-C4'-P energy: -30.749
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: 299
Temperature: 1.350000
Total energy: -261.449493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.449493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.449493 (E_RNA)
where:
Base-Base interactions energy: -98.248
where: short stacking energy: -82.629
Base-Backbone interact. energy: -1.218
local terms energy: -161.983270
where:
bonds (distance) C4'-P energy: -39.722
bonds (distance) P-C4' energy: -43.887
flat angles C4'-P-C4' energy: -42.524
flat angles P-C4'-P energy: -29.958
tors. eta vs tors. theta energy: -5.891
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: 1, replica: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -965.616139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.616139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.616139 (E_RNA)
where:
Base-Base interactions energy: -662.564
where: short stacking energy: -288.984
Base-Backbone interact. energy: -1.256
local terms energy: -301.796389
where:
bonds (distance) C4'-P energy: -53.747
bonds (distance) P-C4' energy: -51.562
flat angles C4'-P-C4' energy: -63.061
flat angles P-C4'-P energy: -41.819
tors. eta vs tors. theta energy: -91.608
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: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -920.712374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.712374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.712374 (E_RNA)
where:
Base-Base interactions energy: -629.366
where: short stacking energy: -277.092
Base-Backbone interact. energy: -1.042
local terms energy: -290.304421
where:
bonds (distance) C4'-P energy: -44.806
bonds (distance) P-C4' energy: -56.098
flat angles C4'-P-C4' energy: -58.930
flat angles P-C4'-P energy: -45.184
tors. eta vs tors. theta energy: -85.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -847.521666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.521666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.521666 (E_RNA)
where:
Base-Base interactions energy: -587.251
where: short stacking energy: -241.435
Base-Backbone interact. energy: -1.058
local terms energy: -259.212677
where:
bonds (distance) C4'-P energy: -41.694
bonds (distance) P-C4' energy: -49.965
flat angles C4'-P-C4' energy: -53.446
flat angles P-C4'-P energy: -46.340
tors. eta vs tors. theta energy: -67.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -831.095685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.095685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.095685 (E_RNA)
where:
Base-Base interactions energy: -556.955
where: short stacking energy: -246.368
Base-Backbone interact. energy: 0.698
local terms energy: -274.838293
where:
bonds (distance) C4'-P energy: -50.577
bonds (distance) P-C4' energy: -55.062
flat angles C4'-P-C4' energy: -53.615
flat angles P-C4'-P energy: -40.659
tors. eta vs tors. theta energy: -74.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -807.244796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.244796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.244796 (E_RNA)
where:
Base-Base interactions energy: -548.583
where: short stacking energy: -227.898
Base-Backbone interact. energy: -0.952
local terms energy: -257.710059
where:
bonds (distance) C4'-P energy: -55.573
bonds (distance) P-C4' energy: -52.029
flat angles C4'-P-C4' energy: -49.546
flat angles P-C4'-P energy: -37.028
tors. eta vs tors. theta energy: -63.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -782.067990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.067990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.067990 (E_RNA)
where:
Base-Base interactions energy: -535.262
where: short stacking energy: -220.485
Base-Backbone interact. energy: 0.259
local terms energy: -247.064815
where:
bonds (distance) C4'-P energy: -49.073
bonds (distance) P-C4' energy: -53.359
flat angles C4'-P-C4' energy: -54.744
flat angles P-C4'-P energy: -24.091
tors. eta vs tors. theta energy: -65.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -657.052069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.052069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.052069 (E_RNA)
where:
Base-Base interactions energy: -438.665
where: short stacking energy: -183.035
Base-Backbone interact. energy: -0.370
local terms energy: -218.017754
where:
bonds (distance) C4'-P energy: -44.365
bonds (distance) P-C4' energy: -51.244
flat angles C4'-P-C4' energy: -48.256
flat angles P-C4'-P energy: -25.506
tors. eta vs tors. theta energy: -48.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -668.749320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.749320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.749320 (E_RNA)
where:
Base-Base interactions energy: -454.088
where: short stacking energy: -192.176
Base-Backbone interact. energy: -0.654
local terms energy: -214.006721
where:
bonds (distance) C4'-P energy: -45.834
bonds (distance) P-C4' energy: -50.598
flat angles C4'-P-C4' energy: -44.535
flat angles P-C4'-P energy: -23.122
tors. eta vs tors. theta energy: -49.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -493.171727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.171727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.171727 (E_RNA)
where:
Base-Base interactions energy: -297.239
where: short stacking energy: -139.472
Base-Backbone interact. energy: -2.243
local terms energy: -193.689924
where:
bonds (distance) C4'-P energy: -34.636
bonds (distance) P-C4' energy: -48.692
flat angles C4'-P-C4' energy: -43.586
flat angles P-C4'-P energy: -32.001
tors. eta vs tors. theta energy: -34.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -252.017249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.017249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.017249 (E_RNA)
where:
Base-Base interactions energy: -104.122
where: short stacking energy: -84.824
Base-Backbone interact. energy: 5.511
local terms energy: -153.406732
where:
bonds (distance) C4'-P energy: -48.211
bonds (distance) P-C4' energy: -39.664
flat angles C4'-P-C4' energy: -35.010
flat angles P-C4'-P energy: -20.674
tors. eta vs tors. theta energy: -9.847
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: 1, replica: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -970.943742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.943742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.943742 (E_RNA)
where:
Base-Base interactions energy: -667.088
where: short stacking energy: -288.442
Base-Backbone interact. energy: -0.352
local terms energy: -303.503257
where:
bonds (distance) C4'-P energy: -54.517
bonds (distance) P-C4' energy: -56.532
flat angles C4'-P-C4' energy: -56.705
flat angles P-C4'-P energy: -43.589
tors. eta vs tors. theta energy: -92.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -951.019389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.019389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.019389 (E_RNA)
where:
Base-Base interactions energy: -654.385
where: short stacking energy: -291.217
Base-Backbone interact. energy: -1.349
local terms energy: -295.285724
where:
bonds (distance) C4'-P energy: -57.696
bonds (distance) P-C4' energy: -48.004
flat angles C4'-P-C4' energy: -62.504
flat angles P-C4'-P energy: -39.658
tors. eta vs tors. theta energy: -87.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -842.346380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.346380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.346380 (E_RNA)
where:
Base-Base interactions energy: -598.887
where: short stacking energy: -229.552
Base-Backbone interact. energy: 5.375
local terms energy: -248.834341
where:
bonds (distance) C4'-P energy: -53.813
bonds (distance) P-C4' energy: -53.678
flat angles C4'-P-C4' energy: -47.019
flat angles P-C4'-P energy: -37.557
tors. eta vs tors. theta energy: -56.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -811.045107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.045107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.045107 (E_RNA)
where:
Base-Base interactions energy: -531.082
where: short stacking energy: -235.289
Base-Backbone interact. energy: -0.084
local terms energy: -279.878778
where:
bonds (distance) C4'-P energy: -51.479
bonds (distance) P-C4' energy: -57.586
flat angles C4'-P-C4' energy: -58.646
flat angles P-C4'-P energy: -41.368
tors. eta vs tors. theta energy: -70.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -827.602858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.602858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.602858 (E_RNA)
where:
Base-Base interactions energy: -567.802
where: short stacking energy: -264.523
Base-Backbone interact. energy: -0.320
local terms energy: -259.480948
where:
bonds (distance) C4'-P energy: -51.702
bonds (distance) P-C4' energy: -40.779
flat angles C4'-P-C4' energy: -56.579
flat angles P-C4'-P energy: -34.982
tors. eta vs tors. theta energy: -75.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -781.141011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.141011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.141011 (E_RNA)
where:
Base-Base interactions energy: -546.942
where: short stacking energy: -209.710
Base-Backbone interact. energy: -1.245
local terms energy: -232.954038
where:
bonds (distance) C4'-P energy: -44.495
bonds (distance) P-C4' energy: -49.753
flat angles C4'-P-C4' energy: -52.726
flat angles P-C4'-P energy: -25.670
tors. eta vs tors. theta energy: -60.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -671.251992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.251992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.251992 (E_RNA)
where:
Base-Base interactions energy: -446.192
where: short stacking energy: -187.515
Base-Backbone interact. energy: -0.405
local terms energy: -224.655183
where:
bonds (distance) C4'-P energy: -30.930
bonds (distance) P-C4' energy: -51.184
flat angles C4'-P-C4' energy: -52.833
flat angles P-C4'-P energy: -32.505
tors. eta vs tors. theta energy: -57.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -715.258963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.258963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.258963 (E_RNA)
where:
Base-Base interactions energy: -493.897
where: short stacking energy: -212.344
Base-Backbone interact. energy: -1.420
local terms energy: -219.941595
where:
bonds (distance) C4'-P energy: -41.754
bonds (distance) P-C4' energy: -52.730
flat angles C4'-P-C4' energy: -51.828
flat angles P-C4'-P energy: -24.268
tors. eta vs tors. theta energy: -49.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -482.974651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.974651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.974651 (E_RNA)
where:
Base-Base interactions energy: -307.765
where: short stacking energy: -146.004
Base-Backbone interact. energy: -1.362
local terms energy: -173.847617
where:
bonds (distance) C4'-P energy: -47.096
bonds (distance) P-C4' energy: -32.839
flat angles C4'-P-C4' energy: -41.886
flat angles P-C4'-P energy: -24.419
tors. eta vs tors. theta energy: -27.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -243.246728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.246728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.246728 (E_RNA)
where:
Base-Base interactions energy: -91.926
where: short stacking energy: -79.151
Base-Backbone interact. energy: 0.809
local terms energy: -152.129595
where:
bonds (distance) C4'-P energy: -43.028
bonds (distance) P-C4' energy: -45.323
flat angles C4'-P-C4' energy: -41.219
flat angles P-C4'-P energy: -22.449
tors. eta vs tors. theta energy: -0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -961.970115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.970115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.970115 (E_RNA)
where:
Base-Base interactions energy: -673.350
where: short stacking energy: -286.927
Base-Backbone interact. energy: -0.695
local terms energy: -287.925995
where:
bonds (distance) C4'-P energy: -51.275
bonds (distance) P-C4' energy: -54.047
flat angles C4'-P-C4' energy: -56.072
flat angles P-C4'-P energy: -43.276
tors. eta vs tors. theta energy: -83.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -940.783951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.783951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.783951 (E_RNA)
where:
Base-Base interactions energy: -647.725
where: short stacking energy: -288.949
Base-Backbone interact. energy: -1.851
local terms energy: -291.207878
where:
bonds (distance) C4'-P energy: -52.262
bonds (distance) P-C4' energy: -55.401
flat angles C4'-P-C4' energy: -59.039
flat angles P-C4'-P energy: -37.386
tors. eta vs tors. theta energy: -87.120
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: 302
Temperature: 1.000000
Total energy: -847.004802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.004802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.004802 (E_RNA)
where:
Base-Base interactions energy: -579.688
where: short stacking energy: -229.636
Base-Backbone interact. energy: -1.088
local terms energy: -266.228387
where:
bonds (distance) C4'-P energy: -53.168
bonds (distance) P-C4' energy: -53.551
flat angles C4'-P-C4' energy: -58.463
flat angles P-C4'-P energy: -33.607
tors. eta vs tors. theta energy: -67.439
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: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -797.435232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.435232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.435232 (E_RNA)
where:
Base-Base interactions energy: -549.049
where: short stacking energy: -244.929
Base-Backbone interact. energy: 1.576
local terms energy: -249.962489
where:
bonds (distance) C4'-P energy: -52.032
bonds (distance) P-C4' energy: -42.408
flat angles C4'-P-C4' energy: -53.227
flat angles P-C4'-P energy: -32.521
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: 5, replica: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -809.614944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.614944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.614944 (E_RNA)
where:
Base-Base interactions energy: -544.633
where: short stacking energy: -249.146
Base-Backbone interact. energy: -0.694
local terms energy: -264.287286
where:
bonds (distance) C4'-P energy: -48.454
bonds (distance) P-C4' energy: -48.964
flat angles C4'-P-C4' energy: -61.424
flat angles P-C4'-P energy: -34.764
tors. eta vs tors. theta energy: -70.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -787.818925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.818925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.818925 (E_RNA)
where:
Base-Base interactions energy: -558.990
where: short stacking energy: -223.406
Base-Backbone interact. energy: 1.439
local terms energy: -230.268039
where:
bonds (distance) C4'-P energy: -37.840
bonds (distance) P-C4' energy: -44.882
flat angles C4'-P-C4' energy: -54.551
flat angles P-C4'-P energy: -35.872
tors. eta vs tors. theta energy: -57.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -731.978437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.978437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.978437 (E_RNA)
where:
Base-Base interactions energy: -493.883
where: short stacking energy: -191.271
Base-Backbone interact. energy: -0.835
local terms energy: -237.260787
where:
bonds (distance) C4'-P energy: -48.859
bonds (distance) P-C4' energy: -52.621
flat angles C4'-P-C4' energy: -45.168
flat angles P-C4'-P energy: -31.636
tors. eta vs tors. theta energy: -58.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -662.980893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.980893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.980893 (E_RNA)
where:
Base-Base interactions energy: -448.034
where: short stacking energy: -184.305
Base-Backbone interact. energy: -2.985
local terms energy: -211.962250
where:
bonds (distance) C4'-P energy: -45.680
bonds (distance) P-C4' energy: -43.007
flat angles C4'-P-C4' energy: -48.778
flat angles P-C4'-P energy: -28.344
tors. eta vs tors. theta energy: -46.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -474.788093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.788093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.788093 (E_RNA)
where:
Base-Base interactions energy: -302.815
where: short stacking energy: -125.718
Base-Backbone interact. energy: -1.573
local terms energy: -170.399539
where:
bonds (distance) C4'-P energy: -45.935
bonds (distance) P-C4' energy: -33.374
flat angles C4'-P-C4' energy: -45.481
flat angles P-C4'-P energy: -27.991
tors. eta vs tors. theta energy: -17.618
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: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -238.112933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.112933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.112933 (E_RNA)
where:
Base-Base interactions energy: -75.411
where: short stacking energy: -59.339
Base-Backbone interact. energy: 1.347
local terms energy: -164.048916
where:
bonds (distance) C4'-P energy: -48.234
bonds (distance) P-C4' energy: -47.355
flat angles C4'-P-C4' energy: -42.131
flat angles P-C4'-P energy: -29.969
tors. eta vs tors. theta energy: 3.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -966.522712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.522712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.522712 (E_RNA)
where:
Base-Base interactions energy: -678.422
where: short stacking energy: -302.539
Base-Backbone interact. energy: 1.109
local terms energy: -289.209781
where:
bonds (distance) C4'-P energy: -52.300
bonds (distance) P-C4' energy: -56.494
flat angles C4'-P-C4' energy: -59.059
flat angles P-C4'-P energy: -40.563
tors. eta vs tors. theta energy: -80.793
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: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -934.358801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.358801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.358801 (E_RNA)
where:
Base-Base interactions energy: -650.847
where: short stacking energy: -283.781
Base-Backbone interact. energy: 0.549
local terms energy: -284.060568
where:
bonds (distance) C4'-P energy: -50.502
bonds (distance) P-C4' energy: -51.823
flat angles C4'-P-C4' energy: -55.103
flat angles P-C4'-P energy: -38.932
tors. eta vs tors. theta energy: -87.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -826.330184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.330184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.330184 (E_RNA)
where:
Base-Base interactions energy: -568.000
where: short stacking energy: -232.880
Base-Backbone interact. energy: -0.586
local terms energy: -257.743772
where:
bonds (distance) C4'-P energy: -52.964
bonds (distance) P-C4' energy: -53.701
flat angles C4'-P-C4' energy: -49.900
flat angles P-C4'-P energy: -40.176
tors. eta vs tors. theta energy: -61.002
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: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -831.560262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.560262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.560262 (E_RNA)
where:
Base-Base interactions energy: -578.234
where: short stacking energy: -259.489
Base-Backbone interact. energy: 0.318
local terms energy: -253.644043
where:
bonds (distance) C4'-P energy: -42.195
bonds (distance) P-C4' energy: -45.444
flat angles C4'-P-C4' energy: -56.183
flat angles P-C4'-P energy: -37.314
tors. eta vs tors. theta energy: -72.508
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: 6
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -809.772409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.772409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.772409 (E_RNA)
where:
Base-Base interactions energy: -546.645
where: short stacking energy: -249.793
Base-Backbone interact. energy: -0.505
local terms energy: -262.622425
where:
bonds (distance) C4'-P energy: -45.160
bonds (distance) P-C4' energy: -48.750
flat angles C4'-P-C4' energy: -56.426
flat angles P-C4'-P energy: -40.402
tors. eta vs tors. theta energy: -71.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -750.470714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.470714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.470714 (E_RNA)
where:
Base-Base interactions energy: -523.767
where: short stacking energy: -203.103
Base-Backbone interact. energy: -0.828
local terms energy: -225.875835
where:
bonds (distance) C4'-P energy: -35.683
bonds (distance) P-C4' energy: -45.435
flat angles C4'-P-C4' energy: -50.307
flat angles P-C4'-P energy: -39.401
tors. eta vs tors. theta energy: -55.051
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: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -750.152646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.152646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.152646 (E_RNA)
where:
Base-Base interactions energy: -501.091
where: short stacking energy: -226.944
Base-Backbone interact. energy: -0.737
local terms energy: -248.323973
where:
bonds (distance) C4'-P energy: -52.468
bonds (distance) P-C4' energy: -39.785
flat angles C4'-P-C4' energy: -58.850
flat angles P-C4'-P energy: -30.090
tors. eta vs tors. theta energy: -67.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -615.555897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.555897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.555897 (E_RNA)
where:
Base-Base interactions energy: -415.640
where: short stacking energy: -187.342
Base-Backbone interact. energy: 1.932
local terms energy: -201.848119
where:
bonds (distance) C4'-P energy: -46.161
bonds (distance) P-C4' energy: -45.054
flat angles C4'-P-C4' energy: -42.501
flat angles P-C4'-P energy: -24.859
tors. eta vs tors. theta energy: -43.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -478.106061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.106061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.106061 (E_RNA)
where:
Base-Base interactions energy: -304.197
where: short stacking energy: -140.901
Base-Backbone interact. energy: -1.548
local terms energy: -172.360913
where:
bonds (distance) C4'-P energy: -37.226
bonds (distance) P-C4' energy: -45.436
flat angles C4'-P-C4' energy: -52.270
flat angles P-C4'-P energy: -23.702
tors. eta vs tors. theta energy: -13.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -232.286155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.286155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.286155 (E_RNA)
where:
Base-Base interactions energy: -82.992
where: short stacking energy: -77.020
Base-Backbone interact. energy: -0.535
local terms energy: -148.759830
where:
bonds (distance) C4'-P energy: -52.864
bonds (distance) P-C4' energy: -44.723
flat angles C4'-P-C4' energy: -23.965
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -6.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -968.878629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.878629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.878629 (E_RNA)
where:
Base-Base interactions energy: -675.047
where: short stacking energy: -311.983
Base-Backbone interact. energy: -2.115
local terms energy: -291.716695
where:
bonds (distance) C4'-P energy: -54.144
bonds (distance) P-C4' energy: -51.445
flat angles C4'-P-C4' energy: -58.127
flat angles P-C4'-P energy: -38.198
tors. eta vs tors. theta energy: -89.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -948.614864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.614864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.614864 (E_RNA)
where:
Base-Base interactions energy: -673.077
where: short stacking energy: -299.744
Base-Backbone interact. energy: -0.195
local terms energy: -275.342449
where:
bonds (distance) C4'-P energy: -47.011
bonds (distance) P-C4' energy: -40.649
flat angles C4'-P-C4' energy: -59.384
flat angles P-C4'-P energy: -39.624
tors. eta vs tors. theta energy: -88.676
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: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -838.951782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.951782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.951782 (E_RNA)
where:
Base-Base interactions energy: -568.125
where: short stacking energy: -234.325
Base-Backbone interact. energy: -0.132
local terms energy: -270.695084
where:
bonds (distance) C4'-P energy: -53.034
bonds (distance) P-C4' energy: -44.501
flat angles C4'-P-C4' energy: -60.680
flat angles P-C4'-P energy: -43.108
tors. eta vs tors. theta energy: -69.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -839.048977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.048977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.048977 (E_RNA)
where:
Base-Base interactions energy: -568.145
where: short stacking energy: -246.277
Base-Backbone interact. energy: -0.395
local terms energy: -270.508361
where:
bonds (distance) C4'-P energy: -47.011
bonds (distance) P-C4' energy: -58.454
flat angles C4'-P-C4' energy: -52.070
flat angles P-C4'-P energy: -38.756
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: 5, replica: 6
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -807.290967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.290967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.290967 (E_RNA)
where:
Base-Base interactions energy: -543.425
where: short stacking energy: -235.170
Base-Backbone interact. energy: -0.810
local terms energy: -263.056604
where:
bonds (distance) C4'-P energy: -52.210
bonds (distance) P-C4' energy: -53.122
flat angles C4'-P-C4' energy: -53.738
flat angles P-C4'-P energy: -30.585
tors. eta vs tors. theta energy: -73.402
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: 6, replica: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -737.194699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.194699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.194699 (E_RNA)
where:
Base-Base interactions energy: -491.219
where: short stacking energy: -212.722
Base-Backbone interact. energy: -0.746
local terms energy: -245.229661
where:
bonds (distance) C4'-P energy: -47.898
bonds (distance) P-C4' energy: -51.123
flat angles C4'-P-C4' energy: -55.438
flat angles P-C4'-P energy: -34.385
tors. eta vs tors. theta energy: -56.386
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: 304
Temperature: 1.200000
Total energy: -733.344484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.344484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.344484 (E_RNA)
where:
Base-Base interactions energy: -501.959
where: short stacking energy: -194.087
Base-Backbone interact. energy: -0.266
local terms energy: -231.119967
where:
bonds (distance) C4'-P energy: -54.210
bonds (distance) P-C4' energy: -50.176
flat angles C4'-P-C4' energy: -46.778
flat angles P-C4'-P energy: -29.823
tors. eta vs tors. theta energy: -50.133
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: 4
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -627.816724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.816724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.816724 (E_RNA)
where:
Base-Base interactions energy: -425.143
where: short stacking energy: -179.641
Base-Backbone interact. energy: 2.544
local terms energy: -205.217600
where:
bonds (distance) C4'-P energy: -43.972
bonds (distance) P-C4' energy: -37.438
flat angles C4'-P-C4' energy: -52.626
flat angles P-C4'-P energy: -30.578
tors. eta vs tors. theta energy: -40.604
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: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -469.912261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.912261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.912261 (E_RNA)
where:
Base-Base interactions energy: -313.812
where: short stacking energy: -130.711
Base-Backbone interact. energy: -0.647
local terms energy: -155.453731
where:
bonds (distance) C4'-P energy: -32.317
bonds (distance) P-C4' energy: -48.983
flat angles C4'-P-C4' energy: -37.060
flat angles P-C4'-P energy: -24.143
tors. eta vs tors. theta energy: -12.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -234.083513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.083513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.083513 (E_RNA)
where:
Base-Base interactions energy: -83.348
where: short stacking energy: -79.606
Base-Backbone interact. energy: -0.708
local terms energy: -150.027434
where:
bonds (distance) C4'-P energy: -45.708
bonds (distance) P-C4' energy: -50.399
flat angles C4'-P-C4' energy: -32.174
flat angles P-C4'-P energy: -30.021
tors. eta vs tors. theta energy: 8.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -958.680931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.680931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.680931 (E_RNA)
where:
Base-Base interactions energy: -661.654
where: short stacking energy: -272.994
Base-Backbone interact. energy: -2.012
local terms energy: -295.015450
where:
bonds (distance) C4'-P energy: -54.742
bonds (distance) P-C4' energy: -51.693
flat angles C4'-P-C4' energy: -58.614
flat angles P-C4'-P energy: -43.925
tors. eta vs tors. theta energy: -86.042
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: 305
Temperature: 0.950000
Total energy: -923.209555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.209555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.209555 (E_RNA)
where:
Base-Base interactions energy: -639.039
where: short stacking energy: -281.058
Base-Backbone interact. energy: -0.557
local terms energy: -283.613797
where:
bonds (distance) C4'-P energy: -45.905
bonds (distance) P-C4' energy: -48.699
flat angles C4'-P-C4' energy: -58.624
flat angles P-C4'-P energy: -42.498
tors. eta vs tors. theta energy: -87.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -835.357824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.357824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.357824 (E_RNA)
where:
Base-Base interactions energy: -568.009
where: short stacking energy: -234.232
Base-Backbone interact. energy: -0.528
local terms energy: -266.820520
where:
bonds (distance) C4'-P energy: -50.161
bonds (distance) P-C4' energy: -56.514
flat angles C4'-P-C4' energy: -59.962
flat angles P-C4'-P energy: -39.199
tors. eta vs tors. theta energy: -60.985
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: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -850.198104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.198104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.198104 (E_RNA)
where:
Base-Base interactions energy: -586.235
where: short stacking energy: -250.034
Base-Backbone interact. energy: 0.442
local terms energy: -264.405844
where:
bonds (distance) C4'-P energy: -46.553
bonds (distance) P-C4' energy: -51.274
flat angles C4'-P-C4' energy: -58.035
flat angles P-C4'-P energy: -36.129
tors. eta vs tors. theta energy: -72.415
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: 305
Temperature: 1.100000
Total energy: -815.469930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.469930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.469930 (E_RNA)
where:
Base-Base interactions energy: -561.288
where: short stacking energy: -259.124
Base-Backbone interact. energy: 0.981
local terms energy: -255.163397
where:
bonds (distance) C4'-P energy: -37.251
bonds (distance) P-C4' energy: -47.501
flat angles C4'-P-C4' energy: -61.511
flat angles P-C4'-P energy: -36.061
tors. eta vs tors. theta energy: -72.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -794.423222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.423222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.423222 (E_RNA)
where:
Base-Base interactions energy: -548.950
where: short stacking energy: -225.866
Base-Backbone interact. energy: -0.233
local terms energy: -245.240279
where:
bonds (distance) C4'-P energy: -41.119
bonds (distance) P-C4' energy: -52.401
flat angles C4'-P-C4' energy: -58.618
flat angles P-C4'-P energy: -26.916
tors. eta vs tors. theta energy: -66.186
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: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -714.874030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.874030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.874030 (E_RNA)
where:
Base-Base interactions energy: -503.733
where: short stacking energy: -208.939
Base-Backbone interact. energy: -0.136
local terms energy: -211.004803
where:
bonds (distance) C4'-P energy: -37.483
bonds (distance) P-C4' energy: -34.253
flat angles C4'-P-C4' energy: -47.372
flat angles P-C4'-P energy: -32.425
tors. eta vs tors. theta energy: -59.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -672.243475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.243475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.243475 (E_RNA)
where:
Base-Base interactions energy: -440.732
where: short stacking energy: -195.523
Base-Backbone interact. energy: -0.244
local terms energy: -231.267689
where:
bonds (distance) C4'-P energy: -51.795
bonds (distance) P-C4' energy: -30.808
flat angles C4'-P-C4' energy: -52.641
flat angles P-C4'-P energy: -40.872
tors. eta vs tors. theta energy: -55.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -451.462059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.462059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.462059 (E_RNA)
where:
Base-Base interactions energy: -280.699
where: short stacking energy: -126.597
Base-Backbone interact. energy: -1.529
local terms energy: -169.234007
where:
bonds (distance) C4'-P energy: -38.685
bonds (distance) P-C4' energy: -35.729
flat angles C4'-P-C4' energy: -49.388
flat angles P-C4'-P energy: -33.319
tors. eta vs tors. theta energy: -12.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -230.582367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.582367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.582367 (E_RNA)
where:
Base-Base interactions energy: -90.912
where: short stacking energy: -80.152
Base-Backbone interact. energy: -0.372
local terms energy: -139.297714
where:
bonds (distance) C4'-P energy: -30.739
bonds (distance) P-C4' energy: -40.013
flat angles C4'-P-C4' energy: -40.541
flat angles P-C4'-P energy: -25.333
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -969.067512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.067512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.067512 (E_RNA)
where:
Base-Base interactions energy: -667.588
where: short stacking energy: -280.487
Base-Backbone interact. energy: -1.415
local terms energy: -300.064725
where:
bonds (distance) C4'-P energy: -49.319
bonds (distance) P-C4' energy: -56.566
flat angles C4'-P-C4' energy: -61.225
flat angles P-C4'-P energy: -48.771
tors. eta vs tors. theta energy: -84.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -923.014941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.014941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.014941 (E_RNA)
where:
Base-Base interactions energy: -644.930
where: short stacking energy: -281.336
Base-Backbone interact. energy: -0.379
local terms energy: -277.705317
where:
bonds (distance) C4'-P energy: -46.365
bonds (distance) P-C4' energy: -50.394
flat angles C4'-P-C4' energy: -56.871
flat angles P-C4'-P energy: -42.178
tors. eta vs tors. theta energy: -81.897
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: 306
Temperature: 1.000000
Total energy: -831.029038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.029038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.029038 (E_RNA)
where:
Base-Base interactions energy: -564.534
where: short stacking energy: -243.093
Base-Backbone interact. energy: -0.362
local terms energy: -266.132939
where:
bonds (distance) C4'-P energy: -51.410
bonds (distance) P-C4' energy: -47.346
flat angles C4'-P-C4' energy: -55.471
flat angles P-C4'-P energy: -49.362
tors. eta vs tors. theta energy: -62.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -827.272273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.272273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.272273 (E_RNA)
where:
Base-Base interactions energy: -571.388
where: short stacking energy: -250.601
Base-Backbone interact. energy: -1.178
local terms energy: -254.706106
where:
bonds (distance) C4'-P energy: -38.364
bonds (distance) P-C4' energy: -46.225
flat angles C4'-P-C4' energy: -51.509
flat angles P-C4'-P energy: -48.956
tors. eta vs tors. theta energy: -69.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -804.015236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.015236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.015236 (E_RNA)
where:
Base-Base interactions energy: -562.738
where: short stacking energy: -231.395
Base-Backbone interact. energy: -0.416
local terms energy: -240.861131
where:
bonds (distance) C4'-P energy: -45.078
bonds (distance) P-C4' energy: -35.208
flat angles C4'-P-C4' energy: -57.632
flat angles P-C4'-P energy: -36.575
tors. eta vs tors. theta energy: -66.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -794.021867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.021867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.021867 (E_RNA)
where:
Base-Base interactions energy: -542.855
where: short stacking energy: -231.910
Base-Backbone interact. energy: -0.386
local terms energy: -250.780184
where:
bonds (distance) C4'-P energy: -42.116
bonds (distance) P-C4' energy: -50.639
flat angles C4'-P-C4' energy: -49.574
flat angles P-C4'-P energy: -35.581
tors. eta vs tors. theta energy: -72.871
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: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -724.321846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.321846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.321846 (E_RNA)
where:
Base-Base interactions energy: -495.176
where: short stacking energy: -207.777
Base-Backbone interact. energy: -0.163
local terms energy: -228.982550
where:
bonds (distance) C4'-P energy: -46.138
bonds (distance) P-C4' energy: -48.070
flat angles C4'-P-C4' energy: -45.216
flat angles P-C4'-P energy: -35.267
tors. eta vs tors. theta energy: -54.292
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: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -673.622362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.622362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.622362 (E_RNA)
where:
Base-Base interactions energy: -452.879
where: short stacking energy: -200.211
Base-Backbone interact. energy: -1.056
local terms energy: -219.686970
where:
bonds (distance) C4'-P energy: -44.420
bonds (distance) P-C4' energy: -45.884
flat angles C4'-P-C4' energy: -43.129
flat angles P-C4'-P energy: -29.892
tors. eta vs tors. theta energy: -56.363
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: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -437.024030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.024030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.024030 (E_RNA)
where:
Base-Base interactions energy: -267.348
where: short stacking energy: -135.810
Base-Backbone interact. energy: 0.255
local terms energy: -169.930841
where:
bonds (distance) C4'-P energy: -39.597
bonds (distance) P-C4' energy: -42.220
flat angles C4'-P-C4' energy: -41.324
flat angles P-C4'-P energy: -21.932
tors. eta vs tors. theta energy: -24.858
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: 306
Temperature: 1.350000
Total energy: -271.163176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.163176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.163176 (E_RNA)
where:
Base-Base interactions energy: -108.921
where: short stacking energy: -100.690
Base-Backbone interact. energy: -0.016
local terms energy: -162.226024
where:
bonds (distance) C4'-P energy: -44.862
bonds (distance) P-C4' energy: -47.108
flat angles C4'-P-C4' energy: -32.978
flat angles P-C4'-P energy: -29.559
tors. eta vs tors. theta energy: -7.720
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: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -951.428323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.428323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.428323 (E_RNA)
where:
Base-Base interactions energy: -652.964
where: short stacking energy: -276.447
Base-Backbone interact. energy: -0.932
local terms energy: -297.532485
where:
bonds (distance) C4'-P energy: -49.941
bonds (distance) P-C4' energy: -50.586
flat angles C4'-P-C4' energy: -63.984
flat angles P-C4'-P energy: -48.466
tors. eta vs tors. theta energy: -84.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -932.547430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.547430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.547430 (E_RNA)
where:
Base-Base interactions energy: -634.983
where: short stacking energy: -280.751
Base-Backbone interact. energy: -1.245
local terms energy: -296.319594
where:
bonds (distance) C4'-P energy: -49.301
bonds (distance) P-C4' energy: -61.183
flat angles C4'-P-C4' energy: -59.677
flat angles P-C4'-P energy: -44.697
tors. eta vs tors. theta energy: -81.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -825.839524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.839524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.839524 (E_RNA)
where:
Base-Base interactions energy: -576.277
where: short stacking energy: -242.867
Base-Backbone interact. energy: 5.203
local terms energy: -254.765848
where:
bonds (distance) C4'-P energy: -55.925
bonds (distance) P-C4' energy: -43.708
flat angles C4'-P-C4' energy: -58.817
flat angles P-C4'-P energy: -30.745
tors. eta vs tors. theta energy: -65.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -840.023147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.023147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.023147 (E_RNA)
where:
Base-Base interactions energy: -573.200
where: short stacking energy: -257.614
Base-Backbone interact. energy: -0.637
local terms energy: -266.185961
where:
bonds (distance) C4'-P energy: -46.943
bonds (distance) P-C4' energy: -49.534
flat angles C4'-P-C4' energy: -57.631
flat angles P-C4'-P energy: -43.161
tors. eta vs tors. theta energy: -68.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -793.050591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.050591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.050591 (E_RNA)
where:
Base-Base interactions energy: -550.763
where: short stacking energy: -222.749
Base-Backbone interact. energy: 0.206
local terms energy: -242.493556
where:
bonds (distance) C4'-P energy: -51.467
bonds (distance) P-C4' energy: -47.518
flat angles C4'-P-C4' energy: -48.668
flat angles P-C4'-P energy: -36.741
tors. eta vs tors. theta energy: -58.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -796.962982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.962982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.962982 (E_RNA)
where:
Base-Base interactions energy: -543.682
where: short stacking energy: -228.392
Base-Backbone interact. energy: -0.222
local terms energy: -253.058627
where:
bonds (distance) C4'-P energy: -38.623
bonds (distance) P-C4' energy: -53.444
flat angles C4'-P-C4' energy: -53.662
flat angles P-C4'-P energy: -46.734
tors. eta vs tors. theta energy: -60.597
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: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -744.427274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.427274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.427274 (E_RNA)
where:
Base-Base interactions energy: -517.967
where: short stacking energy: -202.726
Base-Backbone interact. energy: -0.792
local terms energy: -225.667667
where:
bonds (distance) C4'-P energy: -49.156
bonds (distance) P-C4' energy: -50.960
flat angles C4'-P-C4' energy: -44.934
flat angles P-C4'-P energy: -31.564
tors. eta vs tors. theta energy: -49.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -674.768330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.768330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.768330 (E_RNA)
where:
Base-Base interactions energy: -448.612
where: short stacking energy: -197.203
Base-Backbone interact. energy: 0.272
local terms energy: -226.428654
where:
bonds (distance) C4'-P energy: -45.779
bonds (distance) P-C4' energy: -46.309
flat angles C4'-P-C4' energy: -51.580
flat angles P-C4'-P energy: -32.518
tors. eta vs tors. theta energy: -50.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -434.558828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.558828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.558828 (E_RNA)
where:
Base-Base interactions energy: -261.755
where: short stacking energy: -108.149
Base-Backbone interact. energy: -0.130
local terms energy: -172.674224
where:
bonds (distance) C4'-P energy: -46.697
bonds (distance) P-C4' energy: -39.431
flat angles C4'-P-C4' energy: -44.398
flat angles P-C4'-P energy: -26.797
tors. eta vs tors. theta energy: -15.352
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: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -245.863472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.863472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.863472 (E_RNA)
where:
Base-Base interactions energy: -104.175
where: short stacking energy: -54.708
Base-Backbone interact. energy: -0.287
local terms energy: -141.401884
where:
bonds (distance) C4'-P energy: -42.429
bonds (distance) P-C4' energy: -46.707
flat angles C4'-P-C4' energy: -35.045
flat angles P-C4'-P energy: -25.750
tors. eta vs tors. theta energy: 8.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -972.918519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.918519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.918519 (E_RNA)
where:
Base-Base interactions energy: -665.177
where: short stacking energy: -298.223
Base-Backbone interact. energy: -0.991
local terms energy: -306.749983
where:
bonds (distance) C4'-P energy: -57.878
bonds (distance) P-C4' energy: -52.281
flat angles C4'-P-C4' energy: -57.082
flat angles P-C4'-P energy: -45.354
tors. eta vs tors. theta energy: -94.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -948.862674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.862674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.862674 (E_RNA)
where:
Base-Base interactions energy: -656.134
where: short stacking energy: -273.879
Base-Backbone interact. energy: -1.348
local terms energy: -291.380110
where:
bonds (distance) C4'-P energy: -52.525
bonds (distance) P-C4' energy: -51.460
flat angles C4'-P-C4' energy: -62.391
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -85.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -844.504233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.504233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.504233 (E_RNA)
where:
Base-Base interactions energy: -565.849
where: short stacking energy: -246.042
Base-Backbone interact. energy: -0.339
local terms energy: -278.315366
where:
bonds (distance) C4'-P energy: -51.980
bonds (distance) P-C4' energy: -54.475
flat angles C4'-P-C4' energy: -63.161
flat angles P-C4'-P energy: -42.865
tors. eta vs tors. theta energy: -65.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -804.725041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.725041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.725041 (E_RNA)
where:
Base-Base interactions energy: -540.439
where: short stacking energy: -215.497
Base-Backbone interact. energy: 1.104
local terms energy: -265.389832
where:
bonds (distance) C4'-P energy: -45.376
bonds (distance) P-C4' energy: -57.544
flat angles C4'-P-C4' energy: -58.589
flat angles P-C4'-P energy: -41.553
tors. eta vs tors. theta energy: -62.329
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: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -815.031948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.031948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.031948 (E_RNA)
where:
Base-Base interactions energy: -550.495
where: short stacking energy: -236.537
Base-Backbone interact. energy: -0.324
local terms energy: -264.213220
where:
bonds (distance) C4'-P energy: -43.547
bonds (distance) P-C4' energy: -57.378
flat angles C4'-P-C4' energy: -51.868
flat angles P-C4'-P energy: -38.482
tors. eta vs tors. theta energy: -72.937
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: 8
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -779.425004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.425004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.425004 (E_RNA)
where:
Base-Base interactions energy: -549.402
where: short stacking energy: -221.508
Base-Backbone interact. energy: -0.114
local terms energy: -229.909409
where:
bonds (distance) C4'-P energy: -29.839
bonds (distance) P-C4' energy: -46.160
flat angles C4'-P-C4' energy: -55.765
flat angles P-C4'-P energy: -34.276
tors. eta vs tors. theta energy: -63.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -746.541597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.541597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.541597 (E_RNA)
where:
Base-Base interactions energy: -520.566
where: short stacking energy: -218.879
Base-Backbone interact. energy: -2.942
local terms energy: -223.033323
where:
bonds (distance) C4'-P energy: -45.124
bonds (distance) P-C4' energy: -36.399
flat angles C4'-P-C4' energy: -40.791
flat angles P-C4'-P energy: -43.745
tors. eta vs tors. theta energy: -56.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -654.791841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.791841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.791841 (E_RNA)
where:
Base-Base interactions energy: -425.391
where: short stacking energy: -179.760
Base-Backbone interact. energy: -0.756
local terms energy: -228.645254
where:
bonds (distance) C4'-P energy: -50.811
bonds (distance) P-C4' energy: -50.292
flat angles C4'-P-C4' energy: -42.018
flat angles P-C4'-P energy: -36.096
tors. eta vs tors. theta energy: -49.428
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: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -439.560786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.560786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.560786 (E_RNA)
where:
Base-Base interactions energy: -263.617
where: short stacking energy: -139.772
Base-Backbone interact. energy: -0.982
local terms energy: -174.962298
where:
bonds (distance) C4'-P energy: -37.499
bonds (distance) P-C4' energy: -47.568
flat angles C4'-P-C4' energy: -43.939
flat angles P-C4'-P energy: -22.870
tors. eta vs tors. theta energy: -23.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -226.527507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.527507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.527507 (E_RNA)
where:
Base-Base interactions energy: -79.286
where: short stacking energy: -60.688
Base-Backbone interact. energy: 1.586
local terms energy: -148.827554
where:
bonds (distance) C4'-P energy: -41.856
bonds (distance) P-C4' energy: -41.312
flat angles C4'-P-C4' energy: -43.788
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: -3.717
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: 309
Temperature: 0.900000
Total energy: -959.436879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.436879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.436879 (E_RNA)
where:
Base-Base interactions energy: -658.610
where: short stacking energy: -292.821
Base-Backbone interact. energy: -2.058
local terms energy: -298.768185
where:
bonds (distance) C4'-P energy: -52.747
bonds (distance) P-C4' energy: -56.618
flat angles C4'-P-C4' energy: -64.444
flat angles P-C4'-P energy: -36.342
tors. eta vs tors. theta energy: -88.618
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: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -934.842735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.842735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.842735 (E_RNA)
where:
Base-Base interactions energy: -642.040
where: short stacking energy: -291.928
Base-Backbone interact. energy: -1.306
local terms energy: -291.497242
where:
bonds (distance) C4'-P energy: -51.631
bonds (distance) P-C4' energy: -55.557
flat angles C4'-P-C4' energy: -56.212
flat angles P-C4'-P energy: -40.443
tors. eta vs tors. theta energy: -87.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -861.602074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.602074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.602074 (E_RNA)
where:
Base-Base interactions energy: -574.697
where: short stacking energy: -252.242
Base-Backbone interact. energy: -1.845
local terms energy: -285.059515
where:
bonds (distance) C4'-P energy: -51.921
bonds (distance) P-C4' energy: -53.488
flat angles C4'-P-C4' energy: -56.597
flat angles P-C4'-P energy: -45.468
tors. eta vs tors. theta energy: -77.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -827.040925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.040925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.040925 (E_RNA)
where:
Base-Base interactions energy: -585.083
where: short stacking energy: -261.066
Base-Backbone interact. energy: -0.683
local terms energy: -241.274485
where:
bonds (distance) C4'-P energy: -47.432
bonds (distance) P-C4' energy: -42.521
flat angles C4'-P-C4' energy: -53.785
flat angles P-C4'-P energy: -26.209
tors. eta vs tors. theta energy: -71.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -813.310180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.310180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.310180 (E_RNA)
where:
Base-Base interactions energy: -561.577
where: short stacking energy: -241.296
Base-Backbone interact. energy: -1.349
local terms energy: -250.383254
where:
bonds (distance) C4'-P energy: -54.036
bonds (distance) P-C4' energy: -45.145
flat angles C4'-P-C4' energy: -56.529
flat angles P-C4'-P energy: -36.295
tors. eta vs tors. theta energy: -58.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -762.679126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.679126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.679126 (E_RNA)
where:
Base-Base interactions energy: -525.598
where: short stacking energy: -224.005
Base-Backbone interact. energy: -2.646
local terms energy: -234.435012
where:
bonds (distance) C4'-P energy: -37.872
bonds (distance) P-C4' energy: -46.913
flat angles C4'-P-C4' energy: -50.313
flat angles P-C4'-P energy: -38.310
tors. eta vs tors. theta energy: -61.027
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: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -761.849553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.849553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.849553 (E_RNA)
where:
Base-Base interactions energy: -542.914
where: short stacking energy: -226.128
Base-Backbone interact. energy: -1.501
local terms energy: -217.433647
where:
bonds (distance) C4'-P energy: -31.513
bonds (distance) P-C4' energy: -37.338
flat angles C4'-P-C4' energy: -54.181
flat angles P-C4'-P energy: -34.382
tors. eta vs tors. theta energy: -60.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -662.959394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.959394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.959394 (E_RNA)
where:
Base-Base interactions energy: -449.119
where: short stacking energy: -198.801
Base-Backbone interact. energy: -1.421
local terms energy: -212.419067
where:
bonds (distance) C4'-P energy: -40.968
bonds (distance) P-C4' energy: -41.517
flat angles C4'-P-C4' energy: -47.506
flat angles P-C4'-P energy: -29.600
tors. eta vs tors. theta energy: -52.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -431.234374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.234374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.234374 (E_RNA)
where:
Base-Base interactions energy: -245.296
where: short stacking energy: -102.652
Base-Backbone interact. energy: 7.292
local terms energy: -193.230801
where:
bonds (distance) C4'-P energy: -46.954
bonds (distance) P-C4' energy: -46.481
flat angles C4'-P-C4' energy: -46.911
flat angles P-C4'-P energy: -35.466
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -243.893704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.893704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.893704 (E_RNA)
where:
Base-Base interactions energy: -79.778
where: short stacking energy: -77.232
Base-Backbone interact. energy: 2.246
local terms energy: -166.361537
where:
bonds (distance) C4'-P energy: -41.789
bonds (distance) P-C4' energy: -57.281
flat angles C4'-P-C4' energy: -42.768
flat angles P-C4'-P energy: -27.879
tors. eta vs tors. theta energy: 3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -955.582824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.582824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.582824 (E_RNA)
where:
Base-Base interactions energy: -658.982
where: short stacking energy: -286.439
Base-Backbone interact. energy: -2.173
local terms energy: -294.428328
where:
bonds (distance) C4'-P energy: -48.378
bonds (distance) P-C4' energy: -51.275
flat angles C4'-P-C4' energy: -62.596
flat angles P-C4'-P energy: -46.976
tors. eta vs tors. theta energy: -85.204
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: 310
Temperature: 0.950000
Total energy: -940.458927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.458927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.458927 (E_RNA)
where:
Base-Base interactions energy: -644.628
where: short stacking energy: -291.055
Base-Backbone interact. energy: -1.711
local terms energy: -294.119187
where:
bonds (distance) C4'-P energy: -54.819
bonds (distance) P-C4' energy: -57.490
flat angles C4'-P-C4' energy: -52.272
flat angles P-C4'-P energy: -40.310
tors. eta vs tors. theta energy: -89.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -866.578709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.578709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.578709 (E_RNA)
where:
Base-Base interactions energy: -607.514
where: short stacking energy: -267.993
Base-Backbone interact. energy: 1.390
local terms energy: -260.454490
where:
bonds (distance) C4'-P energy: -38.958
bonds (distance) P-C4' energy: -53.004
flat angles C4'-P-C4' energy: -53.189
flat angles P-C4'-P energy: -40.956
tors. eta vs tors. theta energy: -74.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -843.394817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.394817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.394817 (E_RNA)
where:
Base-Base interactions energy: -575.366
where: short stacking energy: -258.553
Base-Backbone interact. energy: 1.951
local terms energy: -269.980293
where:
bonds (distance) C4'-P energy: -49.764
bonds (distance) P-C4' energy: -44.395
flat angles C4'-P-C4' energy: -56.630
flat angles P-C4'-P energy: -43.895
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: 5, replica: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -794.332132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.332132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.332132 (E_RNA)
where:
Base-Base interactions energy: -551.958
where: short stacking energy: -246.019
Base-Backbone interact. energy: -0.823
local terms energy: -241.551665
where:
bonds (distance) C4'-P energy: -46.901
bonds (distance) P-C4' energy: -43.625
flat angles C4'-P-C4' energy: -52.646
flat angles P-C4'-P energy: -38.362
tors. eta vs tors. theta energy: -60.017
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: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -781.152643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.152643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.152643 (E_RNA)
where:
Base-Base interactions energy: -529.228
where: short stacking energy: -208.066
Base-Backbone interact. energy: 0.079
local terms energy: -252.003539
where:
bonds (distance) C4'-P energy: -38.751
bonds (distance) P-C4' energy: -45.162
flat angles C4'-P-C4' energy: -53.588
flat angles P-C4'-P energy: -42.983
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: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -747.510743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.510743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.510743 (E_RNA)
where:
Base-Base interactions energy: -538.900
where: short stacking energy: -219.628
Base-Backbone interact. energy: -1.027
local terms energy: -207.584302
where:
bonds (distance) C4'-P energy: -49.655
bonds (distance) P-C4' energy: -43.486
flat angles C4'-P-C4' energy: -40.213
flat angles P-C4'-P energy: -21.608
tors. eta vs tors. theta energy: -52.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -620.169547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.169547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.169547 (E_RNA)
where:
Base-Base interactions energy: -413.668
where: short stacking energy: -158.021
Base-Backbone interact. energy: 0.085
local terms energy: -206.586296
where:
bonds (distance) C4'-P energy: -51.184
bonds (distance) P-C4' energy: -54.418
flat angles C4'-P-C4' energy: -39.063
flat angles P-C4'-P energy: -25.167
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: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -432.987903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.987903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.987903 (E_RNA)
where:
Base-Base interactions energy: -259.415
where: short stacking energy: -132.235
Base-Backbone interact. energy: 1.708
local terms energy: -175.281216
where:
bonds (distance) C4'-P energy: -35.646
bonds (distance) P-C4' energy: -34.712
flat angles C4'-P-C4' energy: -44.007
flat angles P-C4'-P energy: -29.236
tors. eta vs tors. theta energy: -31.680
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: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -229.143413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.143413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.143413 (E_RNA)
where:
Base-Base interactions energy: -89.485
where: short stacking energy: -79.130
Base-Backbone interact. energy: -0.840
local terms energy: -138.818417
where:
bonds (distance) C4'-P energy: -32.654
bonds (distance) P-C4' energy: -49.132
flat angles C4'-P-C4' energy: -39.221
flat angles P-C4'-P energy: -25.737
tors. eta vs tors. theta energy: 7.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -949.425575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.425575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.425575 (E_RNA)
where:
Base-Base interactions energy: -644.965
where: short stacking energy: -293.559
Base-Backbone interact. energy: 0.143
local terms energy: -304.603871
where:
bonds (distance) C4'-P energy: -51.665
bonds (distance) P-C4' energy: -50.143
flat angles C4'-P-C4' energy: -58.865
flat angles P-C4'-P energy: -50.868
tors. eta vs tors. theta energy: -93.062
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: 311
Temperature: 0.950000
Total energy: -936.031773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.031773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.031773 (E_RNA)
where:
Base-Base interactions energy: -642.745
where: short stacking energy: -279.921
Base-Backbone interact. energy: -1.320
local terms energy: -291.966236
where:
bonds (distance) C4'-P energy: -49.500
bonds (distance) P-C4' energy: -54.743
flat angles C4'-P-C4' energy: -58.782
flat angles P-C4'-P energy: -44.777
tors. eta vs tors. theta energy: -84.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -879.255977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.255977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.255977 (E_RNA)
where:
Base-Base interactions energy: -583.366
where: short stacking energy: -257.210
Base-Backbone interact. energy: -0.633
local terms energy: -295.256404
where:
bonds (distance) C4'-P energy: -55.752
bonds (distance) P-C4' energy: -56.317
flat angles C4'-P-C4' energy: -63.920
flat angles P-C4'-P energy: -43.851
tors. eta vs tors. theta energy: -75.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -807.982767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.982767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.982767 (E_RNA)
where:
Base-Base interactions energy: -548.322
where: short stacking energy: -228.203
Base-Backbone interact. energy: -0.620
local terms energy: -259.040390
where:
bonds (distance) C4'-P energy: -51.569
bonds (distance) P-C4' energy: -56.368
flat angles C4'-P-C4' energy: -49.570
flat angles P-C4'-P energy: -39.404
tors. eta vs tors. theta energy: -62.129
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: 6
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -825.115909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.115909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.115909 (E_RNA)
where:
Base-Base interactions energy: -569.518
where: short stacking energy: -249.210
Base-Backbone interact. energy: -0.717
local terms energy: -254.880666
where:
bonds (distance) C4'-P energy: -47.417
bonds (distance) P-C4' energy: -44.078
flat angles C4'-P-C4' energy: -54.356
flat angles P-C4'-P energy: -34.157
tors. eta vs tors. theta energy: -74.873
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: 311
Temperature: 1.150000
Total energy: -794.518429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.518429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.518429 (E_RNA)
where:
Base-Base interactions energy: -547.990
where: short stacking energy: -216.546
Base-Backbone interact. energy: 0.562
local terms energy: -247.090438
where:
bonds (distance) C4'-P energy: -54.123
bonds (distance) P-C4' energy: -43.996
flat angles C4'-P-C4' energy: -58.303
flat angles P-C4'-P energy: -28.613
tors. eta vs tors. theta energy: -62.056
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: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -743.632033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.632033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.632033 (E_RNA)
where:
Base-Base interactions energy: -509.725
where: short stacking energy: -212.274
Base-Backbone interact. energy: -2.363
local terms energy: -231.544423
where:
bonds (distance) C4'-P energy: -49.148
bonds (distance) P-C4' energy: -33.897
flat angles C4'-P-C4' energy: -58.214
flat angles P-C4'-P energy: -33.727
tors. eta vs tors. theta energy: -56.559
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: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -636.744912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.744912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.744912 (E_RNA)
where:
Base-Base interactions energy: -422.338
where: short stacking energy: -177.583
Base-Backbone interact. energy: -0.600
local terms energy: -213.807349
where:
bonds (distance) C4'-P energy: -41.590
bonds (distance) P-C4' energy: -49.940
flat angles C4'-P-C4' energy: -50.787
flat angles P-C4'-P energy: -26.432
tors. eta vs tors. theta energy: -45.058
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: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -431.822017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.822017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.822017 (E_RNA)
where:
Base-Base interactions energy: -260.986
where: short stacking energy: -146.945
Base-Backbone interact. energy: -0.107
local terms energy: -170.728539
where:
bonds (distance) C4'-P energy: -29.541
bonds (distance) P-C4' energy: -44.827
flat angles C4'-P-C4' energy: -44.674
flat angles P-C4'-P energy: -25.167
tors. eta vs tors. theta energy: -26.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -233.428282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.428282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.428282 (E_RNA)
where:
Base-Base interactions energy: -87.084
where: short stacking energy: -72.218
Base-Backbone interact. energy: -0.821
local terms energy: -145.523211
where:
bonds (distance) C4'-P energy: -37.734
bonds (distance) P-C4' energy: -49.425
flat angles C4'-P-C4' energy: -43.598
flat angles P-C4'-P energy: -24.402
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: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -946.360473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.360473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.360473 (E_RNA)
where:
Base-Base interactions energy: -664.505
where: short stacking energy: -297.438
Base-Backbone interact. energy: -0.396
local terms energy: -281.459046
where:
bonds (distance) C4'-P energy: -56.133
bonds (distance) P-C4' energy: -36.440
flat angles C4'-P-C4' energy: -59.554
flat angles P-C4'-P energy: -36.710
tors. eta vs tors. theta energy: -92.621
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: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -932.359077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.359077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.359077 (E_RNA)
where:
Base-Base interactions energy: -649.636
where: short stacking energy: -269.857
Base-Backbone interact. energy: 0.832
local terms energy: -283.555178
where:
bonds (distance) C4'-P energy: -48.313
bonds (distance) P-C4' energy: -55.356
flat angles C4'-P-C4' energy: -59.660
flat angles P-C4'-P energy: -35.814
tors. eta vs tors. theta energy: -84.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -868.453742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.453742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.453742 (E_RNA)
where:
Base-Base interactions energy: -597.012
where: short stacking energy: -273.753
Base-Backbone interact. energy: -1.065
local terms energy: -270.377192
where:
bonds (distance) C4'-P energy: -44.175
bonds (distance) P-C4' energy: -54.135
flat angles C4'-P-C4' energy: -56.331
flat angles P-C4'-P energy: -38.593
tors. eta vs tors. theta energy: -77.143
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: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -825.995122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.995122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.995122 (E_RNA)
where:
Base-Base interactions energy: -565.821
where: short stacking energy: -245.578
Base-Backbone interact. energy: 0.769
local terms energy: -260.942885
where:
bonds (distance) C4'-P energy: -44.076
bonds (distance) P-C4' energy: -46.653
flat angles C4'-P-C4' energy: -56.083
flat angles P-C4'-P energy: -41.305
tors. eta vs tors. theta energy: -72.826
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: 312
Temperature: 1.100000
Total energy: -853.581413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.581413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.581413 (E_RNA)
where:
Base-Base interactions energy: -573.070
where: short stacking energy: -243.880
Base-Backbone interact. energy: 0.886
local terms energy: -281.397856
where:
bonds (distance) C4'-P energy: -50.932
bonds (distance) P-C4' energy: -59.213
flat angles C4'-P-C4' energy: -61.521
flat angles P-C4'-P energy: -41.111
tors. eta vs tors. theta energy: -68.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -788.057058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.057058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.057058 (E_RNA)
where:
Base-Base interactions energy: -550.041
where: short stacking energy: -216.677
Base-Backbone interact. energy: -0.723
local terms energy: -237.293009
where:
bonds (distance) C4'-P energy: -45.309
bonds (distance) P-C4' energy: -42.711
flat angles C4'-P-C4' energy: -46.140
flat angles P-C4'-P energy: -39.746
tors. eta vs tors. theta energy: -63.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -764.838374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.838374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.838374 (E_RNA)
where:
Base-Base interactions energy: -534.378
where: short stacking energy: -209.715
Base-Backbone interact. energy: -0.249
local terms energy: -230.211767
where:
bonds (distance) C4'-P energy: -42.580
bonds (distance) P-C4' energy: -40.850
flat angles C4'-P-C4' energy: -51.784
flat angles P-C4'-P energy: -36.488
tors. eta vs tors. theta energy: -58.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -639.454155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.454155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.454155 (E_RNA)
where:
Base-Base interactions energy: -411.260
where: short stacking energy: -184.398
Base-Backbone interact. energy: -0.125
local terms energy: -228.068812
where:
bonds (distance) C4'-P energy: -42.873
bonds (distance) P-C4' energy: -47.742
flat angles C4'-P-C4' energy: -50.494
flat angles P-C4'-P energy: -36.150
tors. eta vs tors. theta energy: -50.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -439.229531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.229531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.229531 (E_RNA)
where:
Base-Base interactions energy: -257.510
where: short stacking energy: -121.862
Base-Backbone interact. energy: -0.933
local terms energy: -180.786648
where:
bonds (distance) C4'-P energy: -51.272
bonds (distance) P-C4' energy: -44.173
flat angles C4'-P-C4' energy: -46.561
flat angles P-C4'-P energy: -18.062
tors. eta vs tors. theta energy: -20.719
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: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -213.366558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.366558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.366558 (E_RNA)
where:
Base-Base interactions energy: -81.474
where: short stacking energy: -71.670
Base-Backbone interact. energy: -0.794
local terms energy: -131.098984
where:
bonds (distance) C4'-P energy: -35.643
bonds (distance) P-C4' energy: -42.594
flat angles C4'-P-C4' energy: -36.673
flat angles P-C4'-P energy: -31.067
tors. eta vs tors. theta energy: 14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -938.563419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.563419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.563419 (E_RNA)
where:
Base-Base interactions energy: -644.983
where: short stacking energy: -288.940
Base-Backbone interact. energy: -2.665
local terms energy: -290.915742
where:
bonds (distance) C4'-P energy: -45.747
bonds (distance) P-C4' energy: -56.830
flat angles C4'-P-C4' energy: -55.963
flat angles P-C4'-P energy: -48.415
tors. eta vs tors. theta energy: -83.959
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: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -936.135908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.135908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.135908 (E_RNA)
where:
Base-Base interactions energy: -644.554
where: short stacking energy: -278.724
Base-Backbone interact. energy: -1.514
local terms energy: -290.067909
where:
bonds (distance) C4'-P energy: -54.849
bonds (distance) P-C4' energy: -50.805
flat angles C4'-P-C4' energy: -56.471
flat angles P-C4'-P energy: -40.230
tors. eta vs tors. theta energy: -87.713
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: 313
Temperature: 1.000000
Total energy: -862.752647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.752647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.752647 (E_RNA)
where:
Base-Base interactions energy: -596.568
where: short stacking energy: -252.201
Base-Backbone interact. energy: -0.679
local terms energy: -265.505782
where:
bonds (distance) C4'-P energy: -53.898
bonds (distance) P-C4' energy: -51.183
flat angles C4'-P-C4' energy: -49.372
flat angles P-C4'-P energy: -37.400
tors. eta vs tors. theta energy: -73.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -827.932622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.932622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.932622 (E_RNA)
where:
Base-Base interactions energy: -557.082
where: short stacking energy: -247.376
Base-Backbone interact. energy: 1.200
local terms energy: -272.050490
where:
bonds (distance) C4'-P energy: -43.776
bonds (distance) P-C4' energy: -58.177
flat angles C4'-P-C4' energy: -54.079
flat angles P-C4'-P energy: -40.221
tors. eta vs tors. theta energy: -75.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -790.497969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.497969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.497969 (E_RNA)
where:
Base-Base interactions energy: -554.750
where: short stacking energy: -225.608
Base-Backbone interact. energy: -0.603
local terms energy: -235.145146
where:
bonds (distance) C4'-P energy: -44.605
bonds (distance) P-C4' energy: -50.867
flat angles C4'-P-C4' energy: -51.460
flat angles P-C4'-P energy: -33.271
tors. eta vs tors. theta energy: -54.941
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: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -771.103739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.103739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.103739 (E_RNA)
where:
Base-Base interactions energy: -542.281
where: short stacking energy: -214.826
Base-Backbone interact. energy: -0.236
local terms energy: -228.585881
where:
bonds (distance) C4'-P energy: -39.305
bonds (distance) P-C4' energy: -45.111
flat angles C4'-P-C4' energy: -55.265
flat angles P-C4'-P energy: -33.231
tors. eta vs tors. theta energy: -55.673
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: 313
Temperature: 1.200000
Total energy: -729.638763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.638763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.638763 (E_RNA)
where:
Base-Base interactions energy: -498.681
where: short stacking energy: -206.899
Base-Backbone interact. energy: 0.702
local terms energy: -231.659388
where:
bonds (distance) C4'-P energy: -41.294
bonds (distance) P-C4' energy: -45.428
flat angles C4'-P-C4' energy: -53.870
flat angles P-C4'-P energy: -26.311
tors. eta vs tors. theta energy: -64.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -628.945623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.945623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.945623 (E_RNA)
where:
Base-Base interactions energy: -415.761
where: short stacking energy: -170.868
Base-Backbone interact. energy: 0.401
local terms energy: -213.585897
where:
bonds (distance) C4'-P energy: -34.981
bonds (distance) P-C4' energy: -51.798
flat angles C4'-P-C4' energy: -46.145
flat angles P-C4'-P energy: -36.123
tors. eta vs tors. theta energy: -44.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -451.020040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.020040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.020040 (E_RNA)
where:
Base-Base interactions energy: -271.887
where: short stacking energy: -127.688
Base-Backbone interact. energy: 0.645
local terms energy: -179.777703
where:
bonds (distance) C4'-P energy: -51.611
bonds (distance) P-C4' energy: -45.622
flat angles C4'-P-C4' energy: -36.656
flat angles P-C4'-P energy: -26.327
tors. eta vs tors. theta energy: -19.562
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: 313
Temperature: 1.350000
Total energy: -228.974444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.974444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.974444 (E_RNA)
where:
Base-Base interactions energy: -83.553
where: short stacking energy: -48.746
Base-Backbone interact. energy: 1.250
local terms energy: -146.671444
where:
bonds (distance) C4'-P energy: -37.272
bonds (distance) P-C4' energy: -56.130
flat angles C4'-P-C4' energy: -42.359
flat angles P-C4'-P energy: -29.020
tors. eta vs tors. theta energy: 18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -951.008498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.008498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.008498 (E_RNA)
where:
Base-Base interactions energy: -652.892
where: short stacking energy: -291.855
Base-Backbone interact. energy: -0.547
local terms energy: -297.569658
where:
bonds (distance) C4'-P energy: -55.349
bonds (distance) P-C4' energy: -53.637
flat angles C4'-P-C4' energy: -60.019
flat angles P-C4'-P energy: -38.936
tors. eta vs tors. theta energy: -89.629
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: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -937.250904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.250904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.250904 (E_RNA)
where:
Base-Base interactions energy: -649.451
where: short stacking energy: -285.243
Base-Backbone interact. energy: -0.501
local terms energy: -287.299405
where:
bonds (distance) C4'-P energy: -46.228
bonds (distance) P-C4' energy: -54.039
flat angles C4'-P-C4' energy: -55.449
flat angles P-C4'-P energy: -44.253
tors. eta vs tors. theta energy: -87.331
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: 3, replica: 6
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -868.028203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.028203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.028203 (E_RNA)
where:
Base-Base interactions energy: -591.033
where: short stacking energy: -253.322
Base-Backbone interact. energy: -0.324
local terms energy: -276.671450
where:
bonds (distance) C4'-P energy: -54.197
bonds (distance) P-C4' energy: -54.104
flat angles C4'-P-C4' energy: -52.224
flat angles P-C4'-P energy: -45.524
tors. eta vs tors. theta energy: -70.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -859.179435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.179435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.179435 (E_RNA)
where:
Base-Base interactions energy: -585.987
where: short stacking energy: -259.098
Base-Backbone interact. energy: -0.732
local terms energy: -272.460245
where:
bonds (distance) C4'-P energy: -44.546
bonds (distance) P-C4' energy: -57.050
flat angles C4'-P-C4' energy: -53.592
flat angles P-C4'-P energy: -34.603
tors. eta vs tors. theta energy: -82.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -783.563825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.563825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.563825 (E_RNA)
where:
Base-Base interactions energy: -540.918
where: short stacking energy: -222.578
Base-Backbone interact. energy: -0.602
local terms energy: -242.043508
where:
bonds (distance) C4'-P energy: -41.380
bonds (distance) P-C4' energy: -47.714
flat angles C4'-P-C4' energy: -49.473
flat angles P-C4'-P energy: -34.340
tors. eta vs tors. theta energy: -69.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -784.867277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.867277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.867277 (E_RNA)
where:
Base-Base interactions energy: -542.908
where: short stacking energy: -214.359
Base-Backbone interact. energy: 0.087
local terms energy: -242.046023
where:
bonds (distance) C4'-P energy: -50.408
bonds (distance) P-C4' energy: -43.956
flat angles C4'-P-C4' energy: -56.574
flat angles P-C4'-P energy: -34.748
tors. eta vs tors. theta energy: -56.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -704.833207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.833207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.833207 (E_RNA)
where:
Base-Base interactions energy: -491.799
where: short stacking energy: -203.532
Base-Backbone interact. energy: 0.995
local terms energy: -214.029458
where:
bonds (distance) C4'-P energy: -41.709
bonds (distance) P-C4' energy: -46.659
flat angles C4'-P-C4' energy: -41.866
flat angles P-C4'-P energy: -27.503
tors. eta vs tors. theta energy: -56.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -634.892307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.892307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.892307 (E_RNA)
where:
Base-Base interactions energy: -418.037
where: short stacking energy: -182.345
Base-Backbone interact. energy: -0.435
local terms energy: -216.419629
where:
bonds (distance) C4'-P energy: -39.459
bonds (distance) P-C4' energy: -46.761
flat angles C4'-P-C4' energy: -50.941
flat angles P-C4'-P energy: -30.934
tors. eta vs tors. theta energy: -48.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -427.552746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.552746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.552746 (E_RNA)
where:
Base-Base interactions energy: -286.823
where: short stacking energy: -138.781
Base-Backbone interact. energy: 2.122
local terms energy: -142.851850
where:
bonds (distance) C4'-P energy: -30.496
bonds (distance) P-C4' energy: -37.305
flat angles C4'-P-C4' energy: -28.872
flat angles P-C4'-P energy: -26.499
tors. eta vs tors. theta energy: -19.680
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: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -225.979187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.979187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.979187 (E_RNA)
where:
Base-Base interactions energy: -94.835
where: short stacking energy: -77.835
Base-Backbone interact. energy: 1.152
local terms energy: -132.296557
where:
bonds (distance) C4'-P energy: -39.144
bonds (distance) P-C4' energy: -49.391
flat angles C4'-P-C4' energy: -29.488
flat angles P-C4'-P energy: -25.921
tors. eta vs tors. theta energy: 11.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -957.479809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.479809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.479809 (E_RNA)
where:
Base-Base interactions energy: -666.352
where: short stacking energy: -308.690
Base-Backbone interact. energy: -0.800
local terms energy: -290.327725
where:
bonds (distance) C4'-P energy: -50.840
bonds (distance) P-C4' energy: -49.094
flat angles C4'-P-C4' energy: -57.139
flat angles P-C4'-P energy: -45.475
tors. eta vs tors. theta energy: -87.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -919.621045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.621045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.621045 (E_RNA)
where:
Base-Base interactions energy: -635.096
where: short stacking energy: -278.877
Base-Backbone interact. energy: 0.119
local terms energy: -284.644140
where:
bonds (distance) C4'-P energy: -53.305
bonds (distance) P-C4' energy: -46.590
flat angles C4'-P-C4' energy: -56.594
flat angles P-C4'-P energy: -40.261
tors. eta vs tors. theta energy: -87.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -849.073612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.073612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.073612 (E_RNA)
where:
Base-Base interactions energy: -579.422
where: short stacking energy: -261.712
Base-Backbone interact. energy: -0.522
local terms energy: -269.129822
where:
bonds (distance) C4'-P energy: -43.960
bonds (distance) P-C4' energy: -56.871
flat angles C4'-P-C4' energy: -51.946
flat angles P-C4'-P energy: -41.371
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: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -848.494706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.494706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.494706 (E_RNA)
where:
Base-Base interactions energy: -598.294
where: short stacking energy: -260.693
Base-Backbone interact. energy: -1.830
local terms energy: -248.371120
where:
bonds (distance) C4'-P energy: -38.047
bonds (distance) P-C4' energy: -42.374
flat angles C4'-P-C4' energy: -51.874
flat angles P-C4'-P energy: -34.756
tors. eta vs tors. theta energy: -81.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -772.623303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.623303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.623303 (E_RNA)
where:
Base-Base interactions energy: -533.321
where: short stacking energy: -209.668
Base-Backbone interact. energy: 0.487
local terms energy: -239.789486
where:
bonds (distance) C4'-P energy: -54.550
bonds (distance) P-C4' energy: -50.533
flat angles C4'-P-C4' energy: -51.693
flat angles P-C4'-P energy: -33.922
tors. eta vs tors. theta energy: -49.092
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: 8
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -728.475521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.475521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.475521 (E_RNA)
where:
Base-Base interactions energy: -496.863
where: short stacking energy: -206.916
Base-Backbone interact. energy: -0.584
local terms energy: -231.028041
where:
bonds (distance) C4'-P energy: -39.391
bonds (distance) P-C4' energy: -54.232
flat angles C4'-P-C4' energy: -47.426
flat angles P-C4'-P energy: -28.220
tors. eta vs tors. theta energy: -61.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -743.072437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.072437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.072437 (E_RNA)
where:
Base-Base interactions energy: -501.745
where: short stacking energy: -206.635
Base-Backbone interact. energy: 1.431
local terms energy: -242.758191
where:
bonds (distance) C4'-P energy: -49.485
bonds (distance) P-C4' energy: -44.847
flat angles C4'-P-C4' energy: -60.118
flat angles P-C4'-P energy: -37.736
tors. eta vs tors. theta energy: -50.573
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: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -642.277662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.277662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.277662 (E_RNA)
where:
Base-Base interactions energy: -430.620
where: short stacking energy: -188.940
Base-Backbone interact. energy: -0.346
local terms energy: -211.311809
where:
bonds (distance) C4'-P energy: -43.212
bonds (distance) P-C4' energy: -41.558
flat angles C4'-P-C4' energy: -50.151
flat angles P-C4'-P energy: -27.839
tors. eta vs tors. theta energy: -48.551
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: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -453.112512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.112512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.112512 (E_RNA)
where:
Base-Base interactions energy: -279.430
where: short stacking energy: -128.112
Base-Backbone interact. energy: -0.690
local terms energy: -172.992470
where:
bonds (distance) C4'-P energy: -47.002
bonds (distance) P-C4' energy: -42.899
flat angles C4'-P-C4' energy: -40.170
flat angles P-C4'-P energy: -27.204
tors. eta vs tors. theta energy: -15.718
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: 315
Temperature: 1.350000
Total energy: -220.998492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.998492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.998492 (E_RNA)
where:
Base-Base interactions energy: -81.061
where: short stacking energy: -78.700
Base-Backbone interact. energy: -0.372
local terms energy: -139.565364
where:
bonds (distance) C4'-P energy: -53.351
bonds (distance) P-C4' energy: -35.381
flat angles C4'-P-C4' energy: -47.879
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: 6.981
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: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -962.929979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.929979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.929979 (E_RNA)
where:
Base-Base interactions energy: -665.200
where: short stacking energy: -297.719
Base-Backbone interact. energy: -0.291
local terms energy: -297.439172
where:
bonds (distance) C4'-P energy: -49.965
bonds (distance) P-C4' energy: -49.478
flat angles C4'-P-C4' energy: -62.189
flat angles P-C4'-P energy: -48.710
tors. eta vs tors. theta energy: -87.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -919.900781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.900781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.900781 (E_RNA)
where:
Base-Base interactions energy: -625.160
where: short stacking energy: -273.591
Base-Backbone interact. energy: 0.735
local terms energy: -295.475743
where:
bonds (distance) C4'-P energy: -53.894
bonds (distance) P-C4' energy: -54.966
flat angles C4'-P-C4' energy: -61.705
flat angles P-C4'-P energy: -39.142
tors. eta vs tors. theta energy: -85.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -889.164515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.164515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.164515 (E_RNA)
where:
Base-Base interactions energy: -599.902
where: short stacking energy: -273.250
Base-Backbone interact. energy: -0.499
local terms energy: -288.763473
where:
bonds (distance) C4'-P energy: -54.563
bonds (distance) P-C4' energy: -46.111
flat angles C4'-P-C4' energy: -57.225
flat angles P-C4'-P energy: -47.797
tors. eta vs tors. theta energy: -83.068
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: 4, replica: 6
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -836.319013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.319013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.319013 (E_RNA)
where:
Base-Base interactions energy: -558.008
where: short stacking energy: -247.206
Base-Backbone interact. energy: -0.353
local terms energy: -277.958550
where:
bonds (distance) C4'-P energy: -52.996
bonds (distance) P-C4' energy: -54.071
flat angles C4'-P-C4' energy: -65.443
flat angles P-C4'-P energy: -34.078
tors. eta vs tors. theta energy: -71.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -795.522025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.522025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.522025 (E_RNA)
where:
Base-Base interactions energy: -556.107
where: short stacking energy: -234.710
Base-Backbone interact. energy: 0.352
local terms energy: -239.767586
where:
bonds (distance) C4'-P energy: -46.162
bonds (distance) P-C4' energy: -37.439
flat angles C4'-P-C4' energy: -51.408
flat angles P-C4'-P energy: -42.078
tors. eta vs tors. theta energy: -62.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -766.946243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.946243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.946243 (E_RNA)
where:
Base-Base interactions energy: -520.661
where: short stacking energy: -228.039
Base-Backbone interact. energy: -0.316
local terms energy: -245.969511
where:
bonds (distance) C4'-P energy: -42.020
bonds (distance) P-C4' energy: -51.991
flat angles C4'-P-C4' energy: -50.318
flat angles P-C4'-P energy: -38.318
tors. eta vs tors. theta energy: -63.323
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: 7, replica: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -775.046727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.046727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.046727 (E_RNA)
where:
Base-Base interactions energy: -540.731
where: short stacking energy: -217.543
Base-Backbone interact. energy: 0.368
local terms energy: -234.682860
where:
bonds (distance) C4'-P energy: -45.775
bonds (distance) P-C4' energy: -43.628
flat angles C4'-P-C4' energy: -42.391
flat angles P-C4'-P energy: -37.670
tors. eta vs tors. theta energy: -65.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -620.633450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.633450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.633450 (E_RNA)
where:
Base-Base interactions energy: -406.411
where: short stacking energy: -165.716
Base-Backbone interact. energy: -1.130
local terms energy: -213.092183
where:
bonds (distance) C4'-P energy: -46.729
bonds (distance) P-C4' energy: -46.315
flat angles C4'-P-C4' energy: -51.177
flat angles P-C4'-P energy: -32.396
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: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -433.642918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.642918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.642918 (E_RNA)
where:
Base-Base interactions energy: -252.817
where: short stacking energy: -114.870
Base-Backbone interact. energy: -0.242
local terms energy: -180.583799
where:
bonds (distance) C4'-P energy: -43.924
bonds (distance) P-C4' energy: -49.810
flat angles C4'-P-C4' energy: -51.570
flat angles P-C4'-P energy: -25.572
tors. eta vs tors. theta energy: -9.708
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: 316
Temperature: 1.350000
Total energy: -221.379387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.379387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.379387 (E_RNA)
where:
Base-Base interactions energy: -85.379
where: short stacking energy: -59.903
Base-Backbone interact. energy: -0.603
local terms energy: -135.397891
where:
bonds (distance) C4'-P energy: -35.039
bonds (distance) P-C4' energy: -52.110
flat angles C4'-P-C4' energy: -40.920
flat angles P-C4'-P energy: -19.443
tors. eta vs tors. theta energy: 12.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -947.633293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.633293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.633293 (E_RNA)
where:
Base-Base interactions energy: -654.320
where: short stacking energy: -279.475
Base-Backbone interact. energy: 0.013
local terms energy: -293.326213
where:
bonds (distance) C4'-P energy: -54.579
bonds (distance) P-C4' energy: -46.016
flat angles C4'-P-C4' energy: -62.829
flat angles P-C4'-P energy: -46.082
tors. eta vs tors. theta energy: -83.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -941.639626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.639626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.639626 (E_RNA)
where:
Base-Base interactions energy: -655.379
where: short stacking energy: -283.473
Base-Backbone interact. energy: -0.766
local terms energy: -285.495145
where:
bonds (distance) C4'-P energy: -52.367
bonds (distance) P-C4' energy: -50.759
flat angles C4'-P-C4' energy: -60.201
flat angles P-C4'-P energy: -39.719
tors. eta vs tors. theta energy: -82.449
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: 2
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -875.171927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.171927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.171927 (E_RNA)
where:
Base-Base interactions energy: -595.229
where: short stacking energy: -260.915
Base-Backbone interact. energy: -1.509
local terms energy: -278.433845
where:
bonds (distance) C4'-P energy: -51.196
bonds (distance) P-C4' energy: -56.652
flat angles C4'-P-C4' energy: -59.642
flat angles P-C4'-P energy: -31.170
tors. eta vs tors. theta energy: -79.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -849.167892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.167892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.167892 (E_RNA)
where:
Base-Base interactions energy: -577.774
where: short stacking energy: -249.110
Base-Backbone interact. energy: -0.639
local terms energy: -270.755119
where:
bonds (distance) C4'-P energy: -56.297
bonds (distance) P-C4' energy: -47.917
flat angles C4'-P-C4' energy: -53.221
flat angles P-C4'-P energy: -39.945
tors. eta vs tors. theta energy: -73.376
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: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -808.071907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.071907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.071907 (E_RNA)
where:
Base-Base interactions energy: -537.830
where: short stacking energy: -223.598
Base-Backbone interact. energy: -1.091
local terms energy: -269.151203
where:
bonds (distance) C4'-P energy: -50.412
bonds (distance) P-C4' energy: -60.879
flat angles C4'-P-C4' energy: -55.211
flat angles P-C4'-P energy: -43.824
tors. eta vs tors. theta energy: -58.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -783.063744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.063744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.063744 (E_RNA)
where:
Base-Base interactions energy: -524.305
where: short stacking energy: -205.583
Base-Backbone interact. energy: 0.206
local terms energy: -258.964227
where:
bonds (distance) C4'-P energy: -50.157
bonds (distance) P-C4' energy: -51.409
flat angles C4'-P-C4' energy: -54.482
flat angles P-C4'-P energy: -37.159
tors. eta vs tors. theta energy: -65.757
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: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -697.814043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.814043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.814043 (E_RNA)
where:
Base-Base interactions energy: -480.612
where: short stacking energy: -211.327
Base-Backbone interact. energy: 0.535
local terms energy: -217.736865
where:
bonds (distance) C4'-P energy: -32.077
bonds (distance) P-C4' energy: -49.027
flat angles C4'-P-C4' energy: -50.258
flat angles P-C4'-P energy: -27.938
tors. eta vs tors. theta energy: -58.437
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: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -632.181317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.181317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.181317 (E_RNA)
where:
Base-Base interactions energy: -421.554
where: short stacking energy: -191.568
Base-Backbone interact. energy: 1.779
local terms energy: -212.405677
where:
bonds (distance) C4'-P energy: -39.317
bonds (distance) P-C4' energy: -43.498
flat angles C4'-P-C4' energy: -47.118
flat angles P-C4'-P energy: -35.631
tors. eta vs tors. theta energy: -46.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -398.856345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.856345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.856345 (E_RNA)
where:
Base-Base interactions energy: -248.768
where: short stacking energy: -107.510
Base-Backbone interact. energy: -0.492
local terms energy: -149.595784
where:
bonds (distance) C4'-P energy: -37.283
bonds (distance) P-C4' energy: -39.965
flat angles C4'-P-C4' energy: -42.269
flat angles P-C4'-P energy: -27.527
tors. eta vs tors. theta energy: -2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -226.323331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.323331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.323331 (E_RNA)
where:
Base-Base interactions energy: -76.626
where: short stacking energy: -68.562
Base-Backbone interact. energy: -0.500
local terms energy: -149.197543
where:
bonds (distance) C4'-P energy: -39.819
bonds (distance) P-C4' energy: -38.842
flat angles C4'-P-C4' energy: -38.622
flat angles P-C4'-P energy: -22.958
tors. eta vs tors. theta energy: -8.957
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: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -959.926203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.926203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.926203 (E_RNA)
where:
Base-Base interactions energy: -667.787
where: short stacking energy: -289.293
Base-Backbone interact. energy: 0.931
local terms energy: -293.070102
where:
bonds (distance) C4'-P energy: -47.378
bonds (distance) P-C4' energy: -53.433
flat angles C4'-P-C4' energy: -60.072
flat angles P-C4'-P energy: -42.419
tors. eta vs tors. theta energy: -89.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -902.038514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.038514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.038514 (E_RNA)
where:
Base-Base interactions energy: -615.607
where: short stacking energy: -259.541
Base-Backbone interact. energy: -0.981
local terms energy: -285.451292
where:
bonds (distance) C4'-P energy: -54.091
bonds (distance) P-C4' energy: -59.599
flat angles C4'-P-C4' energy: -57.173
flat angles P-C4'-P energy: -36.478
tors. eta vs tors. theta energy: -78.110
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: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -853.919229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.919229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.919229 (E_RNA)
where:
Base-Base interactions energy: -584.511
where: short stacking energy: -263.864
Base-Backbone interact. energy: -0.666
local terms energy: -268.741757
where:
bonds (distance) C4'-P energy: -45.247
bonds (distance) P-C4' energy: -54.145
flat angles C4'-P-C4' energy: -54.357
flat angles P-C4'-P energy: -43.699
tors. eta vs tors. theta energy: -71.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -862.091252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.091252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.091252 (E_RNA)
where:
Base-Base interactions energy: -595.636
where: short stacking energy: -270.160
Base-Backbone interact. energy: 3.145
local terms energy: -269.600461
where:
bonds (distance) C4'-P energy: -49.945
bonds (distance) P-C4' energy: -48.358
flat angles C4'-P-C4' energy: -60.912
flat angles P-C4'-P energy: -36.454
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: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -787.109673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.109673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.109673 (E_RNA)
where:
Base-Base interactions energy: -552.706
where: short stacking energy: -219.928
Base-Backbone interact. energy: -1.146
local terms energy: -233.257653
where:
bonds (distance) C4'-P energy: -43.669
bonds (distance) P-C4' energy: -39.313
flat angles C4'-P-C4' energy: -53.068
flat angles P-C4'-P energy: -35.435
tors. eta vs tors. theta energy: -61.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -755.557062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.557062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.557062 (E_RNA)
where:
Base-Base interactions energy: -508.330
where: short stacking energy: -211.405
Base-Backbone interact. energy: -0.878
local terms energy: -246.349480
where:
bonds (distance) C4'-P energy: -50.707
bonds (distance) P-C4' energy: -43.733
flat angles C4'-P-C4' energy: -55.772
flat angles P-C4'-P energy: -39.505
tors. eta vs tors. theta energy: -56.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -717.551191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.551191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.551191 (E_RNA)
where:
Base-Base interactions energy: -485.170
where: short stacking energy: -198.448
Base-Backbone interact. energy: -0.286
local terms energy: -232.095814
where:
bonds (distance) C4'-P energy: -45.216
bonds (distance) P-C4' energy: -52.182
flat angles C4'-P-C4' energy: -45.090
flat angles P-C4'-P energy: -38.300
tors. eta vs tors. theta energy: -51.307
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: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -629.142042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.142042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.142042 (E_RNA)
where:
Base-Base interactions energy: -422.101
where: short stacking energy: -166.070
Base-Backbone interact. energy: -2.032
local terms energy: -205.008279
where:
bonds (distance) C4'-P energy: -51.943
bonds (distance) P-C4' energy: -46.281
flat angles C4'-P-C4' energy: -37.545
flat angles P-C4'-P energy: -23.352
tors. eta vs tors. theta energy: -45.886
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: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -432.668718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.668718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.668718 (E_RNA)
where:
Base-Base interactions energy: -254.761
where: short stacking energy: -119.684
Base-Backbone interact. energy: -1.012
local terms energy: -176.896311
where:
bonds (distance) C4'-P energy: -47.285
bonds (distance) P-C4' energy: -45.420
flat angles C4'-P-C4' energy: -42.248
flat angles P-C4'-P energy: -30.093
tors. eta vs tors. theta energy: -11.850
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: 318
Temperature: 1.350000
Total energy: -225.397613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.397613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.397613 (E_RNA)
where:
Base-Base interactions energy: -82.400
where: short stacking energy: -68.634
Base-Backbone interact. energy: -2.196
local terms energy: -140.801859
where:
bonds (distance) C4'-P energy: -40.175
bonds (distance) P-C4' energy: -35.983
flat angles C4'-P-C4' energy: -33.700
flat angles P-C4'-P energy: -27.011
tors. eta vs tors. theta energy: -3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -942.715433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.715433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.715433 (E_RNA)
where:
Base-Base interactions energy: -649.734
where: short stacking energy: -293.232
Base-Backbone interact. energy: -1.574
local terms energy: -291.407803
where:
bonds (distance) C4'-P energy: -47.305
bonds (distance) P-C4' energy: -57.264
flat angles C4'-P-C4' energy: -59.818
flat angles P-C4'-P energy: -38.799
tors. eta vs tors. theta energy: -88.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -947.166871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.166871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.166871 (E_RNA)
where:
Base-Base interactions energy: -658.932
where: short stacking energy: -287.357
Base-Backbone interact. energy: -1.630
local terms energy: -286.604220
where:
bonds (distance) C4'-P energy: -48.524
bonds (distance) P-C4' energy: -53.598
flat angles C4'-P-C4' energy: -62.039
flat angles P-C4'-P energy: -39.490
tors. eta vs tors. theta energy: -82.954
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: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -863.557641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.557641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.557641 (E_RNA)
where:
Base-Base interactions energy: -595.525
where: short stacking energy: -255.043
Base-Backbone interact. energy: -1.460
local terms energy: -266.573355
where:
bonds (distance) C4'-P energy: -57.680
bonds (distance) P-C4' energy: -40.867
flat angles C4'-P-C4' energy: -58.661
flat angles P-C4'-P energy: -40.027
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: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -850.816363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.816363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.816363 (E_RNA)
where:
Base-Base interactions energy: -594.200
where: short stacking energy: -267.059
Base-Backbone interact. energy: -0.743
local terms energy: -255.873293
where:
bonds (distance) C4'-P energy: -35.642
bonds (distance) P-C4' energy: -50.092
flat angles C4'-P-C4' energy: -55.105
flat angles P-C4'-P energy: -40.864
tors. eta vs tors. theta energy: -74.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -777.680393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.680393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.680393 (E_RNA)
where:
Base-Base interactions energy: -548.376
where: short stacking energy: -202.994
Base-Backbone interact. energy: -0.295
local terms energy: -229.009005
where:
bonds (distance) C4'-P energy: -35.907
bonds (distance) P-C4' energy: -57.034
flat angles C4'-P-C4' energy: -57.171
flat angles P-C4'-P energy: -26.984
tors. eta vs tors. theta energy: -51.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -766.720045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.720045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.720045 (E_RNA)
where:
Base-Base interactions energy: -536.380
where: short stacking energy: -224.080
Base-Backbone interact. energy: -1.359
local terms energy: -228.981232
where:
bonds (distance) C4'-P energy: -45.115
bonds (distance) P-C4' energy: -42.074
flat angles C4'-P-C4' energy: -47.811
flat angles P-C4'-P energy: -29.120
tors. eta vs tors. theta energy: -64.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -711.425719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.425719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.425719 (E_RNA)
where:
Base-Base interactions energy: -484.398
where: short stacking energy: -197.817
Base-Backbone interact. energy: 0.196
local terms energy: -227.223496
where:
bonds (distance) C4'-P energy: -34.621
bonds (distance) P-C4' energy: -56.630
flat angles C4'-P-C4' energy: -52.603
flat angles P-C4'-P energy: -31.431
tors. eta vs tors. theta energy: -51.939
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: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -617.184807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.184807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.184807 (E_RNA)
where:
Base-Base interactions energy: -395.345
where: short stacking energy: -174.777
Base-Backbone interact. energy: -0.541
local terms energy: -221.299079
where:
bonds (distance) C4'-P energy: -44.364
bonds (distance) P-C4' energy: -45.333
flat angles C4'-P-C4' energy: -58.016
flat angles P-C4'-P energy: -32.607
tors. eta vs tors. theta energy: -40.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -439.511083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.511083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.511083 (E_RNA)
where:
Base-Base interactions energy: -278.602
where: short stacking energy: -137.100
Base-Backbone interact. energy: 0.351
local terms energy: -161.259425
where:
bonds (distance) C4'-P energy: -35.789
bonds (distance) P-C4' energy: -53.155
flat angles C4'-P-C4' energy: -38.618
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -14.981
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: 319
Temperature: 1.350000
Total energy: -218.321886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.321886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.321886 (E_RNA)
where:
Base-Base interactions energy: -83.515
where: short stacking energy: -78.557
Base-Backbone interact. energy: -0.166
local terms energy: -134.640166
where:
bonds (distance) C4'-P energy: -39.801
bonds (distance) P-C4' energy: -42.170
flat angles C4'-P-C4' energy: -33.514
flat angles P-C4'-P energy: -25.889
tors. eta vs tors. theta energy: 6.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -966.757515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.757515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.757515 (E_RNA)
where:
Base-Base interactions energy: -660.485
where: short stacking energy: -295.711
Base-Backbone interact. energy: -0.223
local terms energy: -306.049604
where:
bonds (distance) C4'-P energy: -58.253
bonds (distance) P-C4' energy: -50.306
flat angles C4'-P-C4' energy: -61.208
flat angles P-C4'-P energy: -43.311
tors. eta vs tors. theta energy: -92.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -944.387950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.387950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.387950 (E_RNA)
where:
Base-Base interactions energy: -662.580
where: short stacking energy: -275.911
Base-Backbone interact. energy: -0.609
local terms energy: -281.198912
where:
bonds (distance) C4'-P energy: -48.125
bonds (distance) P-C4' energy: -46.397
flat angles C4'-P-C4' energy: -62.343
flat angles P-C4'-P energy: -40.195
tors. eta vs tors. theta energy: -84.138
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: 6
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -880.757780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.757780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.757780 (E_RNA)
where:
Base-Base interactions energy: -612.048
where: short stacking energy: -271.190
Base-Backbone interact. energy: 1.110
local terms energy: -269.820488
where:
bonds (distance) C4'-P energy: -53.171
bonds (distance) P-C4' energy: -46.901
flat angles C4'-P-C4' energy: -57.985
flat angles P-C4'-P energy: -34.224
tors. eta vs tors. theta energy: -77.539
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: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -831.150943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.150943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.150943 (E_RNA)
where:
Base-Base interactions energy: -570.564
where: short stacking energy: -242.406
Base-Backbone interact. energy: -0.376
local terms energy: -260.210853
where:
bonds (distance) C4'-P energy: -47.598
bonds (distance) P-C4' energy: -53.415
flat angles C4'-P-C4' energy: -51.715
flat angles P-C4'-P energy: -35.420
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: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -767.995349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.995349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.995349 (E_RNA)
where:
Base-Base interactions energy: -543.815
where: short stacking energy: -224.258
Base-Backbone interact. energy: 0.723
local terms energy: -224.903889
where:
bonds (distance) C4'-P energy: -32.974
bonds (distance) P-C4' energy: -45.657
flat angles C4'-P-C4' energy: -56.567
flat angles P-C4'-P energy: -37.284
tors. eta vs tors. theta energy: -52.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -754.762429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.762429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.762429 (E_RNA)
where:
Base-Base interactions energy: -522.055
where: short stacking energy: -217.756
Base-Backbone interact. energy: -0.971
local terms energy: -231.736215
where:
bonds (distance) C4'-P energy: -31.949
bonds (distance) P-C4' energy: -55.237
flat angles C4'-P-C4' energy: -48.407
flat angles P-C4'-P energy: -39.169
tors. eta vs tors. theta energy: -56.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -696.171507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.171507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.171507 (E_RNA)
where:
Base-Base interactions energy: -496.549
where: short stacking energy: -209.914
Base-Backbone interact. energy: -2.207
local terms energy: -197.416301
where:
bonds (distance) C4'-P energy: -37.876
bonds (distance) P-C4' energy: -42.560
flat angles C4'-P-C4' energy: -47.048
flat angles P-C4'-P energy: -21.858
tors. eta vs tors. theta energy: -48.073
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: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -658.272504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.272504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.272504 (E_RNA)
where:
Base-Base interactions energy: -439.039
where: short stacking energy: -199.303
Base-Backbone interact. energy: 0.109
local terms energy: -219.342312
where:
bonds (distance) C4'-P energy: -43.318
bonds (distance) P-C4' energy: -42.353
flat angles C4'-P-C4' energy: -48.930
flat angles P-C4'-P energy: -31.897
tors. eta vs tors. theta energy: -52.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -424.561830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.561830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.561830 (E_RNA)
where:
Base-Base interactions energy: -237.870
where: short stacking energy: -120.170
Base-Backbone interact. energy: -0.316
local terms energy: -186.375033
where:
bonds (distance) C4'-P energy: -39.028
bonds (distance) P-C4' energy: -46.908
flat angles C4'-P-C4' energy: -48.313
flat angles P-C4'-P energy: -29.843
tors. eta vs tors. theta energy: -22.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -262.377797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.377797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.377797 (E_RNA)
where:
Base-Base interactions energy: -119.158
where: short stacking energy: -87.978
Base-Backbone interact. energy: 0.460
local terms energy: -143.680188
where:
bonds (distance) C4'-P energy: -37.420
bonds (distance) P-C4' energy: -42.361
flat angles C4'-P-C4' energy: -43.088
flat angles P-C4'-P energy: -19.662
tors. eta vs tors. theta energy: -1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -968.514991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.514991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.514991 (E_RNA)
where:
Base-Base interactions energy: -664.130
where: short stacking energy: -294.846
Base-Backbone interact. energy: -1.396
local terms energy: -302.989670
where:
bonds (distance) C4'-P energy: -54.217
bonds (distance) P-C4' energy: -55.512
flat angles C4'-P-C4' energy: -57.183
flat angles P-C4'-P energy: -47.360
tors. eta vs tors. theta energy: -88.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -939.864883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.864883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.864883 (E_RNA)
where:
Base-Base interactions energy: -661.644
where: short stacking energy: -280.398
Base-Backbone interact. energy: -1.022
local terms energy: -277.198566
where:
bonds (distance) C4'-P energy: -51.854
bonds (distance) P-C4' energy: -49.562
flat angles C4'-P-C4' energy: -59.588
flat angles P-C4'-P energy: -39.100
tors. eta vs tors. theta energy: -77.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -885.880071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.880071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.880071 (E_RNA)
where:
Base-Base interactions energy: -592.942
where: short stacking energy: -269.129
Base-Backbone interact. energy: 0.144
local terms energy: -293.082674
where:
bonds (distance) C4'-P energy: -52.588
bonds (distance) P-C4' energy: -60.136
flat angles C4'-P-C4' energy: -54.120
flat angles P-C4'-P energy: -44.907
tors. eta vs tors. theta energy: -81.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -842.115926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.115926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.115926 (E_RNA)
where:
Base-Base interactions energy: -565.654
where: short stacking energy: -257.203
Base-Backbone interact. energy: -0.179
local terms energy: -276.282346
where:
bonds (distance) C4'-P energy: -61.175
bonds (distance) P-C4' energy: -49.639
flat angles C4'-P-C4' energy: -54.339
flat angles P-C4'-P energy: -36.640
tors. eta vs tors. theta energy: -74.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -758.633720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.633720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.633720 (E_RNA)
where:
Base-Base interactions energy: -524.392
where: short stacking energy: -205.536
Base-Backbone interact. energy: -2.205
local terms energy: -232.035779
where:
bonds (distance) C4'-P energy: -48.543
bonds (distance) P-C4' energy: -52.088
flat angles C4'-P-C4' energy: -44.459
flat angles P-C4'-P energy: -30.237
tors. eta vs tors. theta energy: -56.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -774.996149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.996149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.996149 (E_RNA)
where:
Base-Base interactions energy: -549.457
where: short stacking energy: -224.360
Base-Backbone interact. energy: -1.036
local terms energy: -224.503220
where:
bonds (distance) C4'-P energy: -39.431
bonds (distance) P-C4' energy: -47.812
flat angles C4'-P-C4' energy: -52.964
flat angles P-C4'-P energy: -32.944
tors. eta vs tors. theta energy: -51.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -746.198533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.198533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.198533 (E_RNA)
where:
Base-Base interactions energy: -507.025
where: short stacking energy: -211.805
Base-Backbone interact. energy: 0.827
local terms energy: -240.000184
where:
bonds (distance) C4'-P energy: -46.247
bonds (distance) P-C4' energy: -55.120
flat angles C4'-P-C4' energy: -52.072
flat angles P-C4'-P energy: -29.868
tors. eta vs tors. theta energy: -56.693
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: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -655.825250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.825250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.825250 (E_RNA)
where:
Base-Base interactions energy: -429.977
where: short stacking energy: -186.459
Base-Backbone interact. energy: -0.561
local terms energy: -225.287396
where:
bonds (distance) C4'-P energy: -44.638
bonds (distance) P-C4' energy: -54.725
flat angles C4'-P-C4' energy: -43.830
flat angles P-C4'-P energy: -32.055
tors. eta vs tors. theta energy: -50.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -449.196970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.196970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.196970 (E_RNA)
where:
Base-Base interactions energy: -279.820
where: short stacking energy: -125.889
Base-Backbone interact. energy: 2.780
local terms energy: -172.157193
where:
bonds (distance) C4'-P energy: -29.228
bonds (distance) P-C4' energy: -48.977
flat angles C4'-P-C4' energy: -45.539
flat angles P-C4'-P energy: -33.500
tors. eta vs tors. theta energy: -14.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -338.490972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.490972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.490972 (E_RNA)
where:
Base-Base interactions energy: -178.774
where: short stacking energy: -97.409
Base-Backbone interact. energy: -2.530
local terms energy: -157.187071
where:
bonds (distance) C4'-P energy: -33.610
bonds (distance) P-C4' energy: -47.589
flat angles C4'-P-C4' energy: -34.357
flat angles P-C4'-P energy: -32.933
tors. eta vs tors. theta energy: -8.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -974.195530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.195530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.195530 (E_RNA)
where:
Base-Base interactions energy: -680.930
where: short stacking energy: -298.904
Base-Backbone interact. energy: 0.027
local terms energy: -293.292680
where:
bonds (distance) C4'-P energy: -61.620
bonds (distance) P-C4' energy: -39.873
flat angles C4'-P-C4' energy: -56.598
flat angles P-C4'-P energy: -44.087
tors. eta vs tors. theta energy: -91.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -915.230133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.230133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.230133 (E_RNA)
where:
Base-Base interactions energy: -630.817
where: short stacking energy: -277.235
Base-Backbone interact. energy: -1.049
local terms energy: -283.364826
where:
bonds (distance) C4'-P energy: -46.715
bonds (distance) P-C4' energy: -42.502
flat angles C4'-P-C4' energy: -64.391
flat angles P-C4'-P energy: -45.295
tors. eta vs tors. theta energy: -84.462
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: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -869.948382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.948382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.948382 (E_RNA)
where:
Base-Base interactions energy: -580.595
where: short stacking energy: -260.850
Base-Backbone interact. energy: -0.183
local terms energy: -289.170842
where:
bonds (distance) C4'-P energy: -58.793
bonds (distance) P-C4' energy: -51.900
flat angles C4'-P-C4' energy: -60.315
flat angles P-C4'-P energy: -47.292
tors. eta vs tors. theta energy: -70.870
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: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -836.864927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.864927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.864927 (E_RNA)
where:
Base-Base interactions energy: -581.904
where: short stacking energy: -250.453
Base-Backbone interact. energy: 6.373
local terms energy: -261.333880
where:
bonds (distance) C4'-P energy: -43.638
bonds (distance) P-C4' energy: -50.869
flat angles C4'-P-C4' energy: -57.914
flat angles P-C4'-P energy: -37.808
tors. eta vs tors. theta energy: -71.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -799.664397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.664397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.664397 (E_RNA)
where:
Base-Base interactions energy: -538.230
where: short stacking energy: -224.907
Base-Backbone interact. energy: -1.058
local terms energy: -260.376842
where:
bonds (distance) C4'-P energy: -48.016
bonds (distance) P-C4' energy: -45.698
flat angles C4'-P-C4' energy: -55.800
flat angles P-C4'-P energy: -42.553
tors. eta vs tors. theta energy: -68.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -762.769149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.769149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.769149 (E_RNA)
where:
Base-Base interactions energy: -511.720
where: short stacking energy: -205.236
Base-Backbone interact. energy: -0.981
local terms energy: -250.067791
where:
bonds (distance) C4'-P energy: -48.051
bonds (distance) P-C4' energy: -53.871
flat angles C4'-P-C4' energy: -52.976
flat angles P-C4'-P energy: -38.642
tors. eta vs tors. theta energy: -56.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -742.568145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.568145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.568145 (E_RNA)
where:
Base-Base interactions energy: -502.025
where: short stacking energy: -208.569
Base-Backbone interact. energy: -1.498
local terms energy: -239.045583
where:
bonds (distance) C4'-P energy: -45.035
bonds (distance) P-C4' energy: -48.795
flat angles C4'-P-C4' energy: -40.618
flat angles P-C4'-P energy: -43.033
tors. eta vs tors. theta energy: -61.565
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: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -644.301879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.301879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.301879 (E_RNA)
where:
Base-Base interactions energy: -433.357
where: short stacking energy: -171.345
Base-Backbone interact. energy: -0.041
local terms energy: -210.903522
where:
bonds (distance) C4'-P energy: -39.749
bonds (distance) P-C4' energy: -47.660
flat angles C4'-P-C4' energy: -54.780
flat angles P-C4'-P energy: -26.624
tors. eta vs tors. theta energy: -42.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -438.053454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.053454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.053454 (E_RNA)
where:
Base-Base interactions energy: -250.602
where: short stacking energy: -124.570
Base-Backbone interact. energy: -0.027
local terms energy: -187.424410
where:
bonds (distance) C4'-P energy: -39.279
bonds (distance) P-C4' energy: -47.202
flat angles C4'-P-C4' energy: -43.928
flat angles P-C4'-P energy: -34.126
tors. eta vs tors. theta energy: -22.889
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: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -295.298618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.298618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.298618 (E_RNA)
where:
Base-Base interactions energy: -144.840
where: short stacking energy: -79.280
Base-Backbone interact. energy: 4.247
local terms energy: -154.705910
where:
bonds (distance) C4'-P energy: -42.850
bonds (distance) P-C4' energy: -44.324
flat angles C4'-P-C4' energy: -46.103
flat angles P-C4'-P energy: -18.381
tors. eta vs tors. theta energy: -3.048
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: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -955.358754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.358754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.358754 (E_RNA)
where:
Base-Base interactions energy: -655.012
where: short stacking energy: -297.484
Base-Backbone interact. energy: -2.129
local terms energy: -298.216902
where:
bonds (distance) C4'-P energy: -47.593
bonds (distance) P-C4' energy: -57.857
flat angles C4'-P-C4' energy: -60.398
flat angles P-C4'-P energy: -43.489
tors. eta vs tors. theta energy: -88.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -951.427592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.427592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.427592 (E_RNA)
where:
Base-Base interactions energy: -652.926
where: short stacking energy: -283.868
Base-Backbone interact. energy: -1.398
local terms energy: -297.104171
where:
bonds (distance) C4'-P energy: -49.819
bonds (distance) P-C4' energy: -57.041
flat angles C4'-P-C4' energy: -61.413
flat angles P-C4'-P energy: -39.372
tors. eta vs tors. theta energy: -89.460
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: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -876.489124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.489124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.489124 (E_RNA)
where:
Base-Base interactions energy: -595.251
where: short stacking energy: -268.277
Base-Backbone interact. energy: -1.588
local terms energy: -279.650002
where:
bonds (distance) C4'-P energy: -46.227
bonds (distance) P-C4' energy: -52.476
flat angles C4'-P-C4' energy: -60.177
flat angles P-C4'-P energy: -44.505
tors. eta vs tors. theta energy: -76.265
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: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -862.814533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.814533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.814533 (E_RNA)
where:
Base-Base interactions energy: -586.580
where: short stacking energy: -258.484
Base-Backbone interact. energy: -1.560
local terms energy: -274.675035
where:
bonds (distance) C4'-P energy: -47.251
bonds (distance) P-C4' energy: -48.251
flat angles C4'-P-C4' energy: -60.700
flat angles P-C4'-P energy: -47.012
tors. eta vs tors. theta energy: -71.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -778.432038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.432038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.432038 (E_RNA)
where:
Base-Base interactions energy: -521.720
where: short stacking energy: -234.086
Base-Backbone interact. energy: -1.014
local terms energy: -255.697583
where:
bonds (distance) C4'-P energy: -52.556
bonds (distance) P-C4' energy: -53.406
flat angles C4'-P-C4' energy: -57.004
flat angles P-C4'-P energy: -29.354
tors. eta vs tors. theta energy: -63.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -743.125517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.125517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.125517 (E_RNA)
where:
Base-Base interactions energy: -516.456
where: short stacking energy: -218.408
Base-Backbone interact. energy: -0.173
local terms energy: -226.497154
where:
bonds (distance) C4'-P energy: -40.357
bonds (distance) P-C4' energy: -48.327
flat angles C4'-P-C4' energy: -43.015
flat angles P-C4'-P energy: -34.875
tors. eta vs tors. theta energy: -59.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -725.515995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.515995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.515995 (E_RNA)
where:
Base-Base interactions energy: -501.148
where: short stacking energy: -186.071
Base-Backbone interact. energy: 1.005
local terms energy: -225.372929
where:
bonds (distance) C4'-P energy: -46.541
bonds (distance) P-C4' energy: -46.539
flat angles C4'-P-C4' energy: -48.844
flat angles P-C4'-P energy: -38.053
tors. eta vs tors. theta energy: -45.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -639.084376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.084376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.084376 (E_RNA)
where:
Base-Base interactions energy: -426.781
where: short stacking energy: -188.808
Base-Backbone interact. energy: -0.131
local terms energy: -212.172167
where:
bonds (distance) C4'-P energy: -35.177
bonds (distance) P-C4' energy: -43.510
flat angles C4'-P-C4' energy: -51.168
flat angles P-C4'-P energy: -32.615
tors. eta vs tors. theta energy: -49.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -455.991539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.991539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.991539 (E_RNA)
where:
Base-Base interactions energy: -270.661
where: short stacking energy: -120.058
Base-Backbone interact. energy: -0.105
local terms energy: -185.225377
where:
bonds (distance) C4'-P energy: -48.232
bonds (distance) P-C4' energy: -44.344
flat angles C4'-P-C4' energy: -50.554
flat angles P-C4'-P energy: -24.313
tors. eta vs tors. theta energy: -17.783
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: 323
Temperature: 1.350000
Total energy: -217.644351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.644351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.644351 (E_RNA)
where:
Base-Base interactions energy: -59.447
where: short stacking energy: -44.728
Base-Backbone interact. energy: 0.768
local terms energy: -158.965973
where:
bonds (distance) C4'-P energy: -44.838
bonds (distance) P-C4' energy: -50.446
flat angles C4'-P-C4' energy: -43.377
flat angles P-C4'-P energy: -18.909
tors. eta vs tors. theta energy: -1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -947.980469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.980469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.980469 (E_RNA)
where:
Base-Base interactions energy: -657.474
where: short stacking energy: -279.496
Base-Backbone interact. energy: -0.211
local terms energy: -290.294944
where:
bonds (distance) C4'-P energy: -53.420
bonds (distance) P-C4' energy: -53.304
flat angles C4'-P-C4' energy: -63.379
flat angles P-C4'-P energy: -39.210
tors. eta vs tors. theta energy: -80.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -939.454877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.454877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.454877 (E_RNA)
where:
Base-Base interactions energy: -645.940
where: short stacking energy: -281.360
Base-Backbone interact. energy: -1.356
local terms energy: -292.158382
where:
bonds (distance) C4'-P energy: -49.862
bonds (distance) P-C4' energy: -50.749
flat angles C4'-P-C4' energy: -61.765
flat angles P-C4'-P energy: -37.915
tors. eta vs tors. theta energy: -91.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -880.410959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.410959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.410959 (E_RNA)
where:
Base-Base interactions energy: -613.066
where: short stacking energy: -268.054
Base-Backbone interact. energy: -1.495
local terms energy: -265.850189
where:
bonds (distance) C4'-P energy: -52.370
bonds (distance) P-C4' energy: -44.283
flat angles C4'-P-C4' energy: -49.294
flat angles P-C4'-P energy: -43.078
tors. eta vs tors. theta energy: -76.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -839.080179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.080179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.080179 (E_RNA)
where:
Base-Base interactions energy: -596.147
where: short stacking energy: -265.228
Base-Backbone interact. energy: -0.463
local terms energy: -242.470220
where:
bonds (distance) C4'-P energy: -36.381
bonds (distance) P-C4' energy: -42.915
flat angles C4'-P-C4' energy: -59.495
flat angles P-C4'-P energy: -32.232
tors. eta vs tors. theta energy: -71.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -785.210631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.210631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.210631 (E_RNA)
where:
Base-Base interactions energy: -547.775
where: short stacking energy: -228.111
Base-Backbone interact. energy: -0.502
local terms energy: -236.934336
where:
bonds (distance) C4'-P energy: -45.860
bonds (distance) P-C4' energy: -48.604
flat angles C4'-P-C4' energy: -47.408
flat angles P-C4'-P energy: -34.519
tors. eta vs tors. theta energy: -60.544
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: 5
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -719.784419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.784419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.784419 (E_RNA)
where:
Base-Base interactions energy: -480.503
where: short stacking energy: -207.111
Base-Backbone interact. energy: 2.393
local terms energy: -241.674705
where:
bonds (distance) C4'-P energy: -46.024
bonds (distance) P-C4' energy: -55.358
flat angles C4'-P-C4' energy: -48.072
flat angles P-C4'-P energy: -41.240
tors. eta vs tors. theta energy: -50.981
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: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -706.410193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.410193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.410193 (E_RNA)
where:
Base-Base interactions energy: -494.177
where: short stacking energy: -205.431
Base-Backbone interact. energy: 2.234
local terms energy: -214.467752
where:
bonds (distance) C4'-P energy: -28.851
bonds (distance) P-C4' energy: -46.129
flat angles C4'-P-C4' energy: -49.825
flat angles P-C4'-P energy: -36.722
tors. eta vs tors. theta energy: -52.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -640.334062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.334062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.334062 (E_RNA)
where:
Base-Base interactions energy: -420.456
where: short stacking energy: -179.139
Base-Backbone interact. energy: -0.170
local terms energy: -219.707971
where:
bonds (distance) C4'-P energy: -55.456
bonds (distance) P-C4' energy: -43.639
flat angles C4'-P-C4' energy: -48.812
flat angles P-C4'-P energy: -26.393
tors. eta vs tors. theta energy: -45.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -448.168813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.168813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.168813 (E_RNA)
where:
Base-Base interactions energy: -269.139
where: short stacking energy: -125.439
Base-Backbone interact. energy: 1.041
local terms energy: -180.070912
where:
bonds (distance) C4'-P energy: -33.998
bonds (distance) P-C4' energy: -44.764
flat angles C4'-P-C4' energy: -51.114
flat angles P-C4'-P energy: -29.201
tors. eta vs tors. theta energy: -20.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -257.281936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.281936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.281936 (E_RNA)
where:
Base-Base interactions energy: -122.744
where: short stacking energy: -71.953
Base-Backbone interact. energy: 0.959
local terms energy: -135.497495
where:
bonds (distance) C4'-P energy: -43.262
bonds (distance) P-C4' energy: -39.243
flat angles C4'-P-C4' energy: -38.110
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: 2.541
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: 325
Temperature: 0.900000
Total energy: -934.252501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.252501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.252501 (E_RNA)
where:
Base-Base interactions energy: -640.999
where: short stacking energy: -282.614
Base-Backbone interact. energy: -0.409
local terms energy: -292.843887
where:
bonds (distance) C4'-P energy: -56.454
bonds (distance) P-C4' energy: -49.569
flat angles C4'-P-C4' energy: -61.429
flat angles P-C4'-P energy: -42.062
tors. eta vs tors. theta energy: -83.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -949.320301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.320301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.320301 (E_RNA)
where:
Base-Base interactions energy: -652.889
where: short stacking energy: -299.693
Base-Backbone interact. energy: -0.454
local terms energy: -295.977016
where:
bonds (distance) C4'-P energy: -44.041
bonds (distance) P-C4' energy: -58.618
flat angles C4'-P-C4' energy: -61.919
flat angles P-C4'-P energy: -41.593
tors. eta vs tors. theta energy: -89.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -875.831006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.831006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.831006 (E_RNA)
where:
Base-Base interactions energy: -597.735
where: short stacking energy: -249.299
Base-Backbone interact. energy: -1.144
local terms energy: -276.951468
where:
bonds (distance) C4'-P energy: -49.987
bonds (distance) P-C4' energy: -52.213
flat angles C4'-P-C4' energy: -54.651
flat angles P-C4'-P energy: -42.862
tors. eta vs tors. theta energy: -77.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -823.674620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.674620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.674620 (E_RNA)
where:
Base-Base interactions energy: -562.139
where: short stacking energy: -244.035
Base-Backbone interact. energy: -1.094
local terms energy: -260.441332
where:
bonds (distance) C4'-P energy: -45.325
bonds (distance) P-C4' energy: -44.126
flat angles C4'-P-C4' energy: -52.789
flat angles P-C4'-P energy: -42.519
tors. eta vs tors. theta energy: -75.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -820.647821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.647821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.647821 (E_RNA)
where:
Base-Base interactions energy: -564.336
where: short stacking energy: -236.491
Base-Backbone interact. energy: -0.970
local terms energy: -255.341015
where:
bonds (distance) C4'-P energy: -40.140
bonds (distance) P-C4' energy: -42.641
flat angles C4'-P-C4' energy: -57.701
flat angles P-C4'-P energy: -46.114
tors. eta vs tors. theta energy: -68.745
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: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -744.892404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.892404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.892404 (E_RNA)
where:
Base-Base interactions energy: -513.430
where: short stacking energy: -223.029
Base-Backbone interact. energy: -0.934
local terms energy: -230.528109
where:
bonds (distance) C4'-P energy: -45.334
bonds (distance) P-C4' energy: -43.984
flat angles C4'-P-C4' energy: -46.524
flat angles P-C4'-P energy: -33.622
tors. eta vs tors. theta energy: -61.064
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: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -762.635765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.635765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.635765 (E_RNA)
where:
Base-Base interactions energy: -517.972
where: short stacking energy: -212.372
Base-Backbone interact. energy: 0.434
local terms energy: -245.097405
where:
bonds (distance) C4'-P energy: -45.753
bonds (distance) P-C4' energy: -44.016
flat angles C4'-P-C4' energy: -52.522
flat angles P-C4'-P energy: -43.067
tors. eta vs tors. theta energy: -59.740
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: 8, replica: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -612.940691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.940691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.940691 (E_RNA)
where:
Base-Base interactions energy: -404.220
where: short stacking energy: -170.661
Base-Backbone interact. energy: -0.845
local terms energy: -207.875912
where:
bonds (distance) C4'-P energy: -45.669
bonds (distance) P-C4' energy: -38.026
flat angles C4'-P-C4' energy: -47.596
flat angles P-C4'-P energy: -31.950
tors. eta vs tors. theta energy: -44.635
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: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -482.734691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.734691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.734691 (E_RNA)
where:
Base-Base interactions energy: -295.035
where: short stacking energy: -141.259
Base-Backbone interact. energy: -0.727
local terms energy: -186.973258
where:
bonds (distance) C4'-P energy: -47.004
bonds (distance) P-C4' energy: -42.222
flat angles C4'-P-C4' energy: -43.257
flat angles P-C4'-P energy: -25.277
tors. eta vs tors. theta energy: -29.214
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: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -286.475660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.475660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.475660 (E_RNA)
where:
Base-Base interactions energy: -133.366
where: short stacking energy: -67.879
Base-Backbone interact. energy: 0.353
local terms energy: -153.462976
where:
bonds (distance) C4'-P energy: -34.567
bonds (distance) P-C4' energy: -33.904
flat angles C4'-P-C4' energy: -40.288
flat angles P-C4'-P energy: -34.388
tors. eta vs tors. theta energy: -10.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -953.908299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.908299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.908299 (E_RNA)
where:
Base-Base interactions energy: -659.250
where: short stacking energy: -289.331
Base-Backbone interact. energy: -1.731
local terms energy: -292.927382
where:
bonds (distance) C4'-P energy: -50.787
bonds (distance) P-C4' energy: -49.444
flat angles C4'-P-C4' energy: -61.881
flat angles P-C4'-P energy: -45.572
tors. eta vs tors. theta energy: -85.244
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: 2, replica: 1
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -935.934933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.934933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.934933 (E_RNA)
where:
Base-Base interactions energy: -652.017
where: short stacking energy: -282.309
Base-Backbone interact. energy: -0.607
local terms energy: -283.311111
where:
bonds (distance) C4'-P energy: -52.417
bonds (distance) P-C4' energy: -46.314
flat angles C4'-P-C4' energy: -61.347
flat angles P-C4'-P energy: -42.197
tors. eta vs tors. theta energy: -81.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -886.108495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.108495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.108495 (E_RNA)
where:
Base-Base interactions energy: -597.035
where: short stacking energy: -253.494
Base-Backbone interact. energy: -0.840
local terms energy: -288.233920
where:
bonds (distance) C4'-P energy: -53.204
bonds (distance) P-C4' energy: -52.733
flat angles C4'-P-C4' energy: -63.737
flat angles P-C4'-P energy: -43.584
tors. eta vs tors. theta energy: -74.976
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: 6
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -845.208321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.208321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.208321 (E_RNA)
where:
Base-Base interactions energy: -563.900
where: short stacking energy: -249.254
Base-Backbone interact. energy: 0.729
local terms energy: -282.037193
where:
bonds (distance) C4'-P energy: -50.613
bonds (distance) P-C4' energy: -57.115
flat angles C4'-P-C4' energy: -60.137
flat angles P-C4'-P energy: -42.099
tors. eta vs tors. theta energy: -72.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -822.316208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.316208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.316208 (E_RNA)
where:
Base-Base interactions energy: -575.102
where: short stacking energy: -230.987
Base-Backbone interact. energy: -0.353
local terms energy: -246.861683
where:
bonds (distance) C4'-P energy: -52.056
bonds (distance) P-C4' energy: -50.584
flat angles C4'-P-C4' energy: -51.605
flat angles P-C4'-P energy: -28.078
tors. eta vs tors. theta energy: -64.538
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: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -782.415496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.415496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.415496 (E_RNA)
where:
Base-Base interactions energy: -534.545
where: short stacking energy: -221.695
Base-Backbone interact. energy: -0.388
local terms energy: -247.482478
where:
bonds (distance) C4'-P energy: -47.062
bonds (distance) P-C4' energy: -45.881
flat angles C4'-P-C4' energy: -45.561
flat angles P-C4'-P energy: -42.920
tors. eta vs tors. theta energy: -66.058
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: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -754.438981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.438981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.438981 (E_RNA)
where:
Base-Base interactions energy: -510.045
where: short stacking energy: -216.416
Base-Backbone interact. energy: -1.871
local terms energy: -242.522246
where:
bonds (distance) C4'-P energy: -53.580
bonds (distance) P-C4' energy: -51.776
flat angles C4'-P-C4' energy: -46.328
flat angles P-C4'-P energy: -30.775
tors. eta vs tors. theta energy: -60.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -630.376112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.376112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.376112 (E_RNA)
where:
Base-Base interactions energy: -428.969
where: short stacking energy: -176.325
Base-Backbone interact. energy: -0.458
local terms energy: -200.949022
where:
bonds (distance) C4'-P energy: -47.873
bonds (distance) P-C4' energy: -43.636
flat angles C4'-P-C4' energy: -49.576
flat angles P-C4'-P energy: -19.930
tors. eta vs tors. theta energy: -39.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -500.940753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.940753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.940753 (E_RNA)
where:
Base-Base interactions energy: -311.835
where: short stacking energy: -139.721
Base-Backbone interact. energy: 4.087
local terms energy: -193.193189
where:
bonds (distance) C4'-P energy: -43.664
bonds (distance) P-C4' energy: -43.234
flat angles C4'-P-C4' energy: -45.440
flat angles P-C4'-P energy: -33.417
tors. eta vs tors. theta energy: -27.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -303.288245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.288245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.288245 (E_RNA)
where:
Base-Base interactions energy: -152.013
where: short stacking energy: -87.045
Base-Backbone interact. energy: 2.020
local terms energy: -153.295506
where:
bonds (distance) C4'-P energy: -40.132
bonds (distance) P-C4' energy: -40.444
flat angles C4'-P-C4' energy: -41.616
flat angles P-C4'-P energy: -25.651
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -949.322100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.322100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.322100 (E_RNA)
where:
Base-Base interactions energy: -660.412
where: short stacking energy: -295.909
Base-Backbone interact. energy: 0.066
local terms energy: -288.975802
where:
bonds (distance) C4'-P energy: -46.985
bonds (distance) P-C4' energy: -53.906
flat angles C4'-P-C4' energy: -58.257
flat angles P-C4'-P energy: -41.745
tors. eta vs tors. theta energy: -88.083
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: 327
Temperature: 0.950000
Total energy: -924.552765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.552765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.552765 (E_RNA)
where:
Base-Base interactions energy: -636.914
where: short stacking energy: -287.055
Base-Backbone interact. energy: -0.484
local terms energy: -287.154376
where:
bonds (distance) C4'-P energy: -47.647
bonds (distance) P-C4' energy: -51.995
flat angles C4'-P-C4' energy: -64.838
flat angles P-C4'-P energy: -41.763
tors. eta vs tors. theta energy: -80.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -872.994327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.994327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.994327 (E_RNA)
where:
Base-Base interactions energy: -600.046
where: short stacking energy: -253.055
Base-Backbone interact. energy: -0.982
local terms energy: -271.966507
where:
bonds (distance) C4'-P energy: -56.776
bonds (distance) P-C4' energy: -43.213
flat angles C4'-P-C4' energy: -54.842
flat angles P-C4'-P energy: -40.427
tors. eta vs tors. theta energy: -76.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -832.455257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.455257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.455257 (E_RNA)
where:
Base-Base interactions energy: -568.127
where: short stacking energy: -243.873
Base-Backbone interact. energy: -0.575
local terms energy: -263.752542
where:
bonds (distance) C4'-P energy: -50.542
bonds (distance) P-C4' energy: -56.566
flat angles C4'-P-C4' energy: -49.523
flat angles P-C4'-P energy: -34.893
tors. eta vs tors. theta energy: -72.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -820.605037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.605037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.605037 (E_RNA)
where:
Base-Base interactions energy: -552.496
where: short stacking energy: -249.315
Base-Backbone interact. energy: -0.847
local terms energy: -267.262252
where:
bonds (distance) C4'-P energy: -51.635
bonds (distance) P-C4' energy: -43.367
flat angles C4'-P-C4' energy: -58.406
flat angles P-C4'-P energy: -40.723
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: 6, replica: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -775.433671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.433671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.433671 (E_RNA)
where:
Base-Base interactions energy: -527.534
where: short stacking energy: -221.331
Base-Backbone interact. energy: -0.305
local terms energy: -247.594472
where:
bonds (distance) C4'-P energy: -47.329
bonds (distance) P-C4' energy: -47.564
flat angles C4'-P-C4' energy: -54.325
flat angles P-C4'-P energy: -35.292
tors. eta vs tors. theta energy: -63.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -755.694324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.694324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.694324 (E_RNA)
where:
Base-Base interactions energy: -524.180
where: short stacking energy: -225.128
Base-Backbone interact. energy: 2.131
local terms energy: -233.644920
where:
bonds (distance) C4'-P energy: -42.833
bonds (distance) P-C4' energy: -46.807
flat angles C4'-P-C4' energy: -55.217
flat angles P-C4'-P energy: -30.396
tors. eta vs tors. theta energy: -58.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -667.644131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.644131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.644131 (E_RNA)
where:
Base-Base interactions energy: -458.162
where: short stacking energy: -186.166
Base-Backbone interact. energy: -1.013
local terms energy: -208.469126
where:
bonds (distance) C4'-P energy: -42.599
bonds (distance) P-C4' energy: -43.584
flat angles C4'-P-C4' energy: -40.148
flat angles P-C4'-P energy: -34.235
tors. eta vs tors. theta energy: -47.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -487.292150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.292150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.292150 (E_RNA)
where:
Base-Base interactions energy: -294.615
where: short stacking energy: -136.410
Base-Backbone interact. energy: 0.144
local terms energy: -192.821497
where:
bonds (distance) C4'-P energy: -40.201
bonds (distance) P-C4' energy: -43.212
flat angles C4'-P-C4' energy: -46.157
flat angles P-C4'-P energy: -32.909
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: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -307.267875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.267875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.267875 (E_RNA)
where:
Base-Base interactions energy: -154.176
where: short stacking energy: -74.534
Base-Backbone interact. energy: 0.482
local terms energy: -153.574036
where:
bonds (distance) C4'-P energy: -33.554
bonds (distance) P-C4' energy: -47.096
flat angles C4'-P-C4' energy: -46.692
flat angles P-C4'-P energy: -24.690
tors. eta vs tors. theta energy: -1.543
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: 328
Temperature: 0.900000
Total energy: -951.432574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.432574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.432574 (E_RNA)
where:
Base-Base interactions energy: -663.263
where: short stacking energy: -298.703
Base-Backbone interact. energy: 0.416
local terms energy: -288.585123
where:
bonds (distance) C4'-P energy: -38.333
bonds (distance) P-C4' energy: -59.354
flat angles C4'-P-C4' energy: -57.550
flat angles P-C4'-P energy: -42.608
tors. eta vs tors. theta energy: -90.740
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: 1
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -927.042385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.042385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.042385 (E_RNA)
where:
Base-Base interactions energy: -621.836
where: short stacking energy: -277.110
Base-Backbone interact. energy: -1.444
local terms energy: -303.763089
where:
bonds (distance) C4'-P energy: -51.989
bonds (distance) P-C4' energy: -56.443
flat angles C4'-P-C4' energy: -60.341
flat angles P-C4'-P energy: -43.592
tors. eta vs tors. theta energy: -91.398
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: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -859.034768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.034768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.034768 (E_RNA)
where:
Base-Base interactions energy: -582.293
where: short stacking energy: -246.018
Base-Backbone interact. energy: -0.725
local terms energy: -276.017149
where:
bonds (distance) C4'-P energy: -52.059
bonds (distance) P-C4' energy: -51.424
flat angles C4'-P-C4' energy: -56.110
flat angles P-C4'-P energy: -37.711
tors. eta vs tors. theta energy: -78.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -849.782148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.782148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.782148 (E_RNA)
where:
Base-Base interactions energy: -581.092
where: short stacking energy: -238.163
Base-Backbone interact. energy: -0.751
local terms energy: -267.939052
where:
bonds (distance) C4'-P energy: -51.063
bonds (distance) P-C4' energy: -47.341
flat angles C4'-P-C4' energy: -60.589
flat angles P-C4'-P energy: -41.286
tors. eta vs tors. theta energy: -67.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -825.945754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.945754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.945754 (E_RNA)
where:
Base-Base interactions energy: -546.756
where: short stacking energy: -238.110
Base-Backbone interact. energy: -0.677
local terms energy: -278.513129
where:
bonds (distance) C4'-P energy: -48.447
bonds (distance) P-C4' energy: -59.003
flat angles C4'-P-C4' energy: -59.731
flat angles P-C4'-P energy: -42.260
tors. eta vs tors. theta energy: -69.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -738.320559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.320559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.320559 (E_RNA)
where:
Base-Base interactions energy: -505.283
where: short stacking energy: -212.919
Base-Backbone interact. energy: -0.590
local terms energy: -232.447663
where:
bonds (distance) C4'-P energy: -46.977
bonds (distance) P-C4' energy: -39.030
flat angles C4'-P-C4' energy: -47.529
flat angles P-C4'-P energy: -37.407
tors. eta vs tors. theta energy: -61.506
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: 5
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -732.252343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.252343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.252343 (E_RNA)
where:
Base-Base interactions energy: -505.910
where: short stacking energy: -207.481
Base-Backbone interact. energy: -0.227
local terms energy: -226.116079
where:
bonds (distance) C4'-P energy: -40.031
bonds (distance) P-C4' energy: -42.943
flat angles C4'-P-C4' energy: -50.993
flat angles P-C4'-P energy: -39.065
tors. eta vs tors. theta energy: -53.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -668.422375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.422375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.422375 (E_RNA)
where:
Base-Base interactions energy: -442.523
where: short stacking energy: -191.172
Base-Backbone interact. energy: -0.593
local terms energy: -225.305711
where:
bonds (distance) C4'-P energy: -49.988
bonds (distance) P-C4' energy: -50.322
flat angles C4'-P-C4' energy: -45.826
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -57.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -533.304623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.304623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.304623 (E_RNA)
where:
Base-Base interactions energy: -334.111
where: short stacking energy: -170.530
Base-Backbone interact. energy: -0.591
local terms energy: -198.603132
where:
bonds (distance) C4'-P energy: -44.163
bonds (distance) P-C4' energy: -44.136
flat angles C4'-P-C4' energy: -47.479
flat angles P-C4'-P energy: -19.501
tors. eta vs tors. theta energy: -43.323
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: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -296.463074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.463074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.463074 (E_RNA)
where:
Base-Base interactions energy: -138.879
where: short stacking energy: -89.137
Base-Backbone interact. energy: 1.005
local terms energy: -158.588574
where:
bonds (distance) C4'-P energy: -45.539
bonds (distance) P-C4' energy: -41.015
flat angles C4'-P-C4' energy: -46.850
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -7.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -966.259187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.259187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.259187 (E_RNA)
where:
Base-Base interactions energy: -661.248
where: short stacking energy: -282.930
Base-Backbone interact. energy: -0.613
local terms energy: -304.397935
where:
bonds (distance) C4'-P energy: -50.405
bonds (distance) P-C4' energy: -58.747
flat angles C4'-P-C4' energy: -64.051
flat angles P-C4'-P energy: -45.400
tors. eta vs tors. theta energy: -85.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -918.781922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.781922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.781922 (E_RNA)
where:
Base-Base interactions energy: -634.431
where: short stacking energy: -276.477
Base-Backbone interact. energy: -1.150
local terms energy: -283.200396
where:
bonds (distance) C4'-P energy: -52.718
bonds (distance) P-C4' energy: -50.791
flat angles C4'-P-C4' energy: -51.627
flat angles P-C4'-P energy: -44.675
tors. eta vs tors. theta energy: -83.389
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: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -839.807171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.807171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.807171 (E_RNA)
where:
Base-Base interactions energy: -575.318
where: short stacking energy: -259.299
Base-Backbone interact. energy: -0.239
local terms energy: -264.251072
where:
bonds (distance) C4'-P energy: -57.808
bonds (distance) P-C4' energy: -43.014
flat angles C4'-P-C4' energy: -51.377
flat angles P-C4'-P energy: -41.219
tors. eta vs tors. theta energy: -70.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -835.280350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.280350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.280350 (E_RNA)
where:
Base-Base interactions energy: -569.163
where: short stacking energy: -246.568
Base-Backbone interact. energy: -0.706
local terms energy: -265.411657
where:
bonds (distance) C4'-P energy: -47.483
bonds (distance) P-C4' energy: -52.258
flat angles C4'-P-C4' energy: -56.382
flat angles P-C4'-P energy: -35.956
tors. eta vs tors. theta energy: -73.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -819.350842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.350842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.350842 (E_RNA)
where:
Base-Base interactions energy: -557.395
where: short stacking energy: -251.738
Base-Backbone interact. energy: 0.322
local terms energy: -262.278358
where:
bonds (distance) C4'-P energy: -48.028
bonds (distance) P-C4' energy: -49.195
flat angles C4'-P-C4' energy: -52.623
flat angles P-C4'-P energy: -40.753
tors. eta vs tors. theta energy: -71.680
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: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -739.334675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.334675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.334675 (E_RNA)
where:
Base-Base interactions energy: -500.300
where: short stacking energy: -221.045
Base-Backbone interact. energy: -0.261
local terms energy: -238.774159
where:
bonds (distance) C4'-P energy: -42.525
bonds (distance) P-C4' energy: -48.857
flat angles C4'-P-C4' energy: -58.563
flat angles P-C4'-P energy: -33.599
tors. eta vs tors. theta energy: -55.230
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: 329
Temperature: 1.200000
Total energy: -714.210743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.210743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.210743 (E_RNA)
where:
Base-Base interactions energy: -489.064
where: short stacking energy: -209.783
Base-Backbone interact. energy: -1.028
local terms energy: -224.118345
where:
bonds (distance) C4'-P energy: -42.791
bonds (distance) P-C4' energy: -46.975
flat angles C4'-P-C4' energy: -50.277
flat angles P-C4'-P energy: -33.258
tors. eta vs tors. theta energy: -50.816
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: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -646.679312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.679312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.679312 (E_RNA)
where:
Base-Base interactions energy: -422.621
where: short stacking energy: -188.323
Base-Backbone interact. energy: -1.778
local terms energy: -222.280904
where:
bonds (distance) C4'-P energy: -48.084
bonds (distance) P-C4' energy: -45.515
flat angles C4'-P-C4' energy: -50.920
flat angles P-C4'-P energy: -32.510
tors. eta vs tors. theta energy: -45.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -520.465707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.465707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.465707 (E_RNA)
where:
Base-Base interactions energy: -325.521
where: short stacking energy: -147.844
Base-Backbone interact. energy: 0.247
local terms energy: -195.191567
where:
bonds (distance) C4'-P energy: -40.767
bonds (distance) P-C4' energy: -48.777
flat angles C4'-P-C4' energy: -50.618
flat angles P-C4'-P energy: -25.583
tors. eta vs tors. theta energy: -29.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -307.691164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.691164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.691164 (E_RNA)
where:
Base-Base interactions energy: -142.996
where: short stacking energy: -91.354
Base-Backbone interact. energy: -0.021
local terms energy: -164.673948
where:
bonds (distance) C4'-P energy: -40.900
bonds (distance) P-C4' energy: -52.384
flat angles C4'-P-C4' energy: -33.600
flat angles P-C4'-P energy: -29.998
tors. eta vs tors. theta energy: -7.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -962.897480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.897480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.897480 (E_RNA)
where:
Base-Base interactions energy: -675.201
where: short stacking energy: -300.277
Base-Backbone interact. energy: -1.138
local terms energy: -286.559257
where:
bonds (distance) C4'-P energy: -43.361
bonds (distance) P-C4' energy: -52.054
flat angles C4'-P-C4' energy: -58.348
flat angles P-C4'-P energy: -44.286
tors. eta vs tors. theta energy: -88.510
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: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -934.152434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.152434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.152434 (E_RNA)
where:
Base-Base interactions energy: -645.002
where: short stacking energy: -278.184
Base-Backbone interact. energy: -1.900
local terms energy: -287.250307
where:
bonds (distance) C4'-P energy: -52.032
bonds (distance) P-C4' energy: -54.053
flat angles C4'-P-C4' energy: -56.436
flat angles P-C4'-P energy: -41.546
tors. eta vs tors. theta energy: -83.183
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: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -845.261682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.261682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.261682 (E_RNA)
where:
Base-Base interactions energy: -570.887
where: short stacking energy: -251.135
Base-Backbone interact. energy: -0.965
local terms energy: -273.410332
where:
bonds (distance) C4'-P energy: -46.095
bonds (distance) P-C4' energy: -58.234
flat angles C4'-P-C4' energy: -54.549
flat angles P-C4'-P energy: -43.195
tors. eta vs tors. theta energy: -71.337
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: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -816.665646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.665646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.665646 (E_RNA)
where:
Base-Base interactions energy: -563.787
where: short stacking energy: -244.878
Base-Backbone interact. energy: -0.068
local terms energy: -252.810926
where:
bonds (distance) C4'-P energy: -49.154
bonds (distance) P-C4' energy: -43.582
flat angles C4'-P-C4' energy: -51.998
flat angles P-C4'-P energy: -34.858
tors. eta vs tors. theta energy: -73.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -811.853388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.853388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.853388 (E_RNA)
where:
Base-Base interactions energy: -548.176
where: short stacking energy: -236.760
Base-Backbone interact. energy: -0.129
local terms energy: -263.547904
where:
bonds (distance) C4'-P energy: -48.245
bonds (distance) P-C4' energy: -44.879
flat angles C4'-P-C4' energy: -55.598
flat angles P-C4'-P energy: -41.842
tors. eta vs tors. theta energy: -72.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -726.671790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.671790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.671790 (E_RNA)
where:
Base-Base interactions energy: -508.426
where: short stacking energy: -206.657
Base-Backbone interact. energy: -0.807
local terms energy: -217.438856
where:
bonds (distance) C4'-P energy: -47.000
bonds (distance) P-C4' energy: -35.973
flat angles C4'-P-C4' energy: -49.779
flat angles P-C4'-P energy: -29.620
tors. eta vs tors. theta energy: -55.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -660.263228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.263228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.263228 (E_RNA)
where:
Base-Base interactions energy: -449.090
where: short stacking energy: -197.655
Base-Backbone interact. energy: -0.496
local terms energy: -210.677317
where:
bonds (distance) C4'-P energy: -38.986
bonds (distance) P-C4' energy: -41.895
flat angles C4'-P-C4' energy: -46.320
flat angles P-C4'-P energy: -32.920
tors. eta vs tors. theta energy: -50.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -660.858849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.858849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.858849 (E_RNA)
where:
Base-Base interactions energy: -448.890
where: short stacking energy: -177.096
Base-Backbone interact. energy: 1.169
local terms energy: -213.138380
where:
bonds (distance) C4'-P energy: -37.108
bonds (distance) P-C4' energy: -51.556
flat angles C4'-P-C4' energy: -48.493
flat angles P-C4'-P energy: -34.399
tors. eta vs tors. theta energy: -41.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -501.625721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.625721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.625721 (E_RNA)
where:
Base-Base interactions energy: -306.848
where: short stacking energy: -130.246
Base-Backbone interact. energy: -1.042
local terms energy: -193.734990
where:
bonds (distance) C4'-P energy: -44.262
bonds (distance) P-C4' energy: -51.171
flat angles C4'-P-C4' energy: -43.360
flat angles P-C4'-P energy: -26.649
tors. eta vs tors. theta energy: -28.293
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: 330
Temperature: 1.350000
Total energy: -334.124052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.124052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.124052 (E_RNA)
where:
Base-Base interactions energy: -200.503
where: short stacking energy: -92.917
Base-Backbone interact. energy: -1.124
local terms energy: -132.497107
where:
bonds (distance) C4'-P energy: -31.905
bonds (distance) P-C4' energy: -38.899
flat angles C4'-P-C4' energy: -34.101
flat angles P-C4'-P energy: -30.014
tors. eta vs tors. theta energy: 2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -966.332706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.332706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.332706 (E_RNA)
where:
Base-Base interactions energy: -669.759
where: short stacking energy: -295.514
Base-Backbone interact. energy: 1.289
local terms energy: -297.862716
where:
bonds (distance) C4'-P energy: -49.498
bonds (distance) P-C4' energy: -60.510
flat angles C4'-P-C4' energy: -58.504
flat angles P-C4'-P energy: -42.594
tors. eta vs tors. theta energy: -86.756
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: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -930.465252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.465252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.465252 (E_RNA)
where:
Base-Base interactions energy: -635.820
where: short stacking energy: -271.698
Base-Backbone interact. energy: -1.744
local terms energy: -292.900992
where:
bonds (distance) C4'-P energy: -50.477
bonds (distance) P-C4' energy: -62.095
flat angles C4'-P-C4' energy: -55.935
flat angles P-C4'-P energy: -35.929
tors. eta vs tors. theta energy: -88.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -832.779843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.779843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.779843 (E_RNA)
where:
Base-Base interactions energy: -571.391
where: short stacking energy: -257.319
Base-Backbone interact. energy: -0.469
local terms energy: -260.920297
where:
bonds (distance) C4'-P energy: -46.755
bonds (distance) P-C4' energy: -52.608
flat angles C4'-P-C4' energy: -52.920
flat angles P-C4'-P energy: -35.609
tors. eta vs tors. theta energy: -73.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -847.857406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.857406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.857406 (E_RNA)
where:
Base-Base interactions energy: -581.497
where: short stacking energy: -249.480
Base-Backbone interact. energy: -0.444
local terms energy: -265.916069
where:
bonds (distance) C4'-P energy: -43.275
bonds (distance) P-C4' energy: -43.604
flat angles C4'-P-C4' energy: -61.183
flat angles P-C4'-P energy: -38.091
tors. eta vs tors. theta energy: -79.763
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: 5, replica: 9
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -798.856887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.856887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.856887 (E_RNA)
where:
Base-Base interactions energy: -539.412
where: short stacking energy: -232.158
Base-Backbone interact. energy: 2.629
local terms energy: -262.073685
where:
bonds (distance) C4'-P energy: -52.030
bonds (distance) P-C4' energy: -45.301
flat angles C4'-P-C4' energy: -61.587
flat angles P-C4'-P energy: -34.056
tors. eta vs tors. theta energy: -69.099
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: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -715.301320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.301320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.301320 (E_RNA)
where:
Base-Base interactions energy: -490.621
where: short stacking energy: -213.045
Base-Backbone interact. energy: -0.359
local terms energy: -224.321436
where:
bonds (distance) C4'-P energy: -43.836
bonds (distance) P-C4' energy: -40.474
flat angles C4'-P-C4' energy: -48.332
flat angles P-C4'-P energy: -29.151
tors. eta vs tors. theta energy: -62.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -758.063188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.063188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.063188 (E_RNA)
where:
Base-Base interactions energy: -533.076
where: short stacking energy: -201.834
Base-Backbone interact. energy: 1.228
local terms energy: -226.214783
where:
bonds (distance) C4'-P energy: -31.589
bonds (distance) P-C4' energy: -46.210
flat angles C4'-P-C4' energy: -47.408
flat angles P-C4'-P energy: -39.119
tors. eta vs tors. theta energy: -61.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -676.497787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.497787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.497787 (E_RNA)
where:
Base-Base interactions energy: -461.462
where: short stacking energy: -193.226
Base-Backbone interact. energy: 0.311
local terms energy: -215.346792
where:
bonds (distance) C4'-P energy: -41.867
bonds (distance) P-C4' energy: -49.499
flat angles C4'-P-C4' energy: -41.931
flat angles P-C4'-P energy: -30.161
tors. eta vs tors. theta energy: -51.888
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: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -479.054511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.054511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.054511 (E_RNA)
where:
Base-Base interactions energy: -296.988
where: short stacking energy: -145.579
Base-Backbone interact. energy: -1.347
local terms energy: -180.719293
where:
bonds (distance) C4'-P energy: -31.590
bonds (distance) P-C4' energy: -45.298
flat angles C4'-P-C4' energy: -35.950
flat angles P-C4'-P energy: -34.882
tors. eta vs tors. theta energy: -33.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -330.409652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.409652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.409652 (E_RNA)
where:
Base-Base interactions energy: -177.736
where: short stacking energy: -82.035
Base-Backbone interact. energy: 1.647
local terms energy: -154.321217
where:
bonds (distance) C4'-P energy: -48.013
bonds (distance) P-C4' energy: -35.685
flat angles C4'-P-C4' energy: -41.889
flat angles P-C4'-P energy: -23.791
tors. eta vs tors. theta energy: -4.943
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: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -951.764399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.764399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.764399 (E_RNA)
where:
Base-Base interactions energy: -660.781
where: short stacking energy: -290.416
Base-Backbone interact. energy: -0.999
local terms energy: -289.984245
where:
bonds (distance) C4'-P energy: -54.475
bonds (distance) P-C4' energy: -54.556
flat angles C4'-P-C4' energy: -57.877
flat angles P-C4'-P energy: -42.034
tors. eta vs tors. theta energy: -81.042
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: 332
Temperature: 0.950000
Total energy: -929.203048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.203048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.203048 (E_RNA)
where:
Base-Base interactions energy: -646.314
where: short stacking energy: -283.367
Base-Backbone interact. energy: -0.484
local terms energy: -282.405274
where:
bonds (distance) C4'-P energy: -52.768
bonds (distance) P-C4' energy: -53.545
flat angles C4'-P-C4' energy: -57.069
flat angles P-C4'-P energy: -36.167
tors. eta vs tors. theta energy: -82.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -897.523722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.523722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.523722 (E_RNA)
where:
Base-Base interactions energy: -618.422
where: short stacking energy: -275.287
Base-Backbone interact. energy: -0.223
local terms energy: -278.878626
where:
bonds (distance) C4'-P energy: -49.209
bonds (distance) P-C4' energy: -56.847
flat angles C4'-P-C4' energy: -51.867
flat angles P-C4'-P energy: -34.553
tors. eta vs tors. theta energy: -86.402
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: 6
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -825.602849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.602849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.602849 (E_RNA)
where:
Base-Base interactions energy: -572.572
where: short stacking energy: -266.480
Base-Backbone interact. energy: -0.451
local terms energy: -252.579207
where:
bonds (distance) C4'-P energy: -44.882
bonds (distance) P-C4' energy: -43.291
flat angles C4'-P-C4' energy: -59.479
flat angles P-C4'-P energy: -32.161
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: 5, replica: 9
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -801.348774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.348774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.348774 (E_RNA)
where:
Base-Base interactions energy: -552.604
where: short stacking energy: -235.508
Base-Backbone interact. energy: -2.140
local terms energy: -246.604756
where:
bonds (distance) C4'-P energy: -45.398
bonds (distance) P-C4' energy: -43.605
flat angles C4'-P-C4' energy: -56.334
flat angles P-C4'-P energy: -33.491
tors. eta vs tors. theta energy: -67.776
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: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -691.163211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.163211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.163211 (E_RNA)
where:
Base-Base interactions energy: -471.376
where: short stacking energy: -213.800
Base-Backbone interact. energy: -0.640
local terms energy: -219.147236
where:
bonds (distance) C4'-P energy: -32.991
bonds (distance) P-C4' energy: -40.358
flat angles C4'-P-C4' energy: -52.002
flat angles P-C4'-P energy: -27.269
tors. eta vs tors. theta energy: -66.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -758.338125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.338125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.338125 (E_RNA)
where:
Base-Base interactions energy: -531.033
where: short stacking energy: -220.916
Base-Backbone interact. energy: -0.833
local terms energy: -226.471789
where:
bonds (distance) C4'-P energy: -35.588
bonds (distance) P-C4' energy: -43.889
flat angles C4'-P-C4' energy: -51.780
flat angles P-C4'-P energy: -32.704
tors. eta vs tors. theta energy: -62.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -690.671401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.671401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.671401 (E_RNA)
where:
Base-Base interactions energy: -479.995
where: short stacking energy: -200.713
Base-Backbone interact. energy: -0.108
local terms energy: -210.568847
where:
bonds (distance) C4'-P energy: -41.458
bonds (distance) P-C4' energy: -39.746
flat angles C4'-P-C4' energy: -47.458
flat angles P-C4'-P energy: -29.300
tors. eta vs tors. theta energy: -52.606
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: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -480.183881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.183881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.183881 (E_RNA)
where:
Base-Base interactions energy: -286.891
where: short stacking energy: -141.846
Base-Backbone interact. energy: 0.413
local terms energy: -193.705371
where:
bonds (distance) C4'-P energy: -46.164
bonds (distance) P-C4' energy: -42.144
flat angles C4'-P-C4' energy: -43.696
flat angles P-C4'-P energy: -32.227
tors. eta vs tors. theta energy: -29.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -368.989995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.989995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.989995 (E_RNA)
where:
Base-Base interactions energy: -207.698
where: short stacking energy: -104.343
Base-Backbone interact. energy: -2.577
local terms energy: -158.715358
where:
bonds (distance) C4'-P energy: -37.187
bonds (distance) P-C4' energy: -50.671
flat angles C4'-P-C4' energy: -38.474
flat angles P-C4'-P energy: -23.276
tors. eta vs tors. theta energy: -9.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -955.085762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.085762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.085762 (E_RNA)
where:
Base-Base interactions energy: -658.444
where: short stacking energy: -302.548
Base-Backbone interact. energy: -0.580
local terms energy: -296.062220
where:
bonds (distance) C4'-P energy: -53.108
bonds (distance) P-C4' energy: -55.954
flat angles C4'-P-C4' energy: -55.553
flat angles P-C4'-P energy: -43.006
tors. eta vs tors. theta energy: -88.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -925.088974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.088974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.088974 (E_RNA)
where:
Base-Base interactions energy: -641.819
where: short stacking energy: -281.522
Base-Backbone interact. energy: -1.642
local terms energy: -281.627409
where:
bonds (distance) C4'-P energy: -48.447
bonds (distance) P-C4' energy: -50.827
flat angles C4'-P-C4' energy: -58.960
flat angles P-C4'-P energy: -42.936
tors. eta vs tors. theta energy: -80.457
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: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -903.182174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.182174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.182174 (E_RNA)
where:
Base-Base interactions energy: -623.278
where: short stacking energy: -273.544
Base-Backbone interact. energy: -0.598
local terms energy: -279.306028
where:
bonds (distance) C4'-P energy: -54.645
bonds (distance) P-C4' energy: -51.659
flat angles C4'-P-C4' energy: -51.592
flat angles P-C4'-P energy: -36.801
tors. eta vs tors. theta energy: -84.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -827.332450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.332450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.332450 (E_RNA)
where:
Base-Base interactions energy: -555.985
where: short stacking energy: -236.417
Base-Backbone interact. energy: -1.274
local terms energy: -270.072939
where:
bonds (distance) C4'-P energy: -49.666
bonds (distance) P-C4' energy: -51.153
flat angles C4'-P-C4' energy: -59.147
flat angles P-C4'-P energy: -43.061
tors. eta vs tors. theta energy: -67.045
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: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -838.522105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.522105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.522105 (E_RNA)
where:
Base-Base interactions energy: -550.984
where: short stacking energy: -239.042
Base-Backbone interact. energy: -2.153
local terms energy: -285.384250
where:
bonds (distance) C4'-P energy: -53.964
bonds (distance) P-C4' energy: -60.499
flat angles C4'-P-C4' energy: -51.986
flat angles P-C4'-P energy: -43.034
tors. eta vs tors. theta energy: -75.901
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: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -743.064644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.064644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.064644 (E_RNA)
where:
Base-Base interactions energy: -514.129
where: short stacking energy: -209.570
Base-Backbone interact. energy: -1.086
local terms energy: -227.849665
where:
bonds (distance) C4'-P energy: -46.411
bonds (distance) P-C4' energy: -47.450
flat angles C4'-P-C4' energy: -53.161
flat angles P-C4'-P energy: -25.671
tors. eta vs tors. theta energy: -55.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -676.940334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.940334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.940334 (E_RNA)
where:
Base-Base interactions energy: -455.883
where: short stacking energy: -188.954
Base-Backbone interact. energy: 0.000
local terms energy: -221.057673
where:
bonds (distance) C4'-P energy: -47.784
bonds (distance) P-C4' energy: -48.565
flat angles C4'-P-C4' energy: -41.836
flat angles P-C4'-P energy: -37.808
tors. eta vs tors. theta energy: -45.065
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: 333
Temperature: 1.250000
Total energy: -693.855412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.855412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.855412 (E_RNA)
where:
Base-Base interactions energy: -467.554
where: short stacking energy: -200.355
Base-Backbone interact. energy: -1.076
local terms energy: -225.225170
where:
bonds (distance) C4'-P energy: -38.354
bonds (distance) P-C4' energy: -52.449
flat angles C4'-P-C4' energy: -43.678
flat angles P-C4'-P energy: -25.722
tors. eta vs tors. theta energy: -65.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -494.694257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.694257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.694257 (E_RNA)
where:
Base-Base interactions energy: -318.627
where: short stacking energy: -156.103
Base-Backbone interact. energy: 0.596
local terms energy: -176.662570
where:
bonds (distance) C4'-P energy: -42.005
bonds (distance) P-C4' energy: -39.993
flat angles C4'-P-C4' energy: -37.863
flat angles P-C4'-P energy: -22.505
tors. eta vs tors. theta energy: -34.295
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: 333
Temperature: 1.350000
Total energy: -348.769375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.769375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.769375 (E_RNA)
where:
Base-Base interactions energy: -187.426
where: short stacking energy: -99.724
Base-Backbone interact. energy: 0.007
local terms energy: -161.350778
where:
bonds (distance) C4'-P energy: -35.934
bonds (distance) P-C4' energy: -50.038
flat angles C4'-P-C4' energy: -35.561
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -23.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -977.833380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.833380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.833380 (E_RNA)
where:
Base-Base interactions energy: -676.113
where: short stacking energy: -294.209
Base-Backbone interact. energy: -0.357
local terms energy: -301.363830
where:
bonds (distance) C4'-P energy: -51.167
bonds (distance) P-C4' energy: -56.984
flat angles C4'-P-C4' energy: -58.122
flat angles P-C4'-P energy: -42.535
tors. eta vs tors. theta energy: -92.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -924.220435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.220435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.220435 (E_RNA)
where:
Base-Base interactions energy: -641.906
where: short stacking energy: -278.432
Base-Backbone interact. energy: 2.060
local terms energy: -284.374649
where:
bonds (distance) C4'-P energy: -43.480
bonds (distance) P-C4' energy: -60.351
flat angles C4'-P-C4' energy: -59.229
flat angles P-C4'-P energy: -41.615
tors. eta vs tors. theta energy: -79.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -876.538095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.538095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.538095 (E_RNA)
where:
Base-Base interactions energy: -604.078
where: short stacking energy: -253.710
Base-Backbone interact. energy: -0.893
local terms energy: -271.566727
where:
bonds (distance) C4'-P energy: -38.758
bonds (distance) P-C4' energy: -58.428
flat angles C4'-P-C4' energy: -50.722
flat angles P-C4'-P energy: -40.620
tors. eta vs tors. theta energy: -83.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -835.891379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.891379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.891379 (E_RNA)
where:
Base-Base interactions energy: -561.985
where: short stacking energy: -252.299
Base-Backbone interact. energy: 0.252
local terms energy: -274.158626
where:
bonds (distance) C4'-P energy: -47.600
bonds (distance) P-C4' energy: -51.194
flat angles C4'-P-C4' energy: -59.309
flat angles P-C4'-P energy: -40.429
tors. eta vs tors. theta energy: -75.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -830.597573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.597573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.597573 (E_RNA)
where:
Base-Base interactions energy: -570.986
where: short stacking energy: -252.542
Base-Backbone interact. energy: -0.313
local terms energy: -259.298806
where:
bonds (distance) C4'-P energy: -45.272
bonds (distance) P-C4' energy: -48.025
flat angles C4'-P-C4' energy: -57.494
flat angles P-C4'-P energy: -36.478
tors. eta vs tors. theta energy: -72.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -745.553437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.553437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.553437 (E_RNA)
where:
Base-Base interactions energy: -502.787
where: short stacking energy: -211.392
Base-Backbone interact. energy: -2.348
local terms energy: -240.418624
where:
bonds (distance) C4'-P energy: -45.446
bonds (distance) P-C4' energy: -56.888
flat angles C4'-P-C4' energy: -56.542
flat angles P-C4'-P energy: -27.681
tors. eta vs tors. theta energy: -53.862
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: 7, replica: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -700.155186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.155186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.155186 (E_RNA)
where:
Base-Base interactions energy: -462.947
where: short stacking energy: -185.166
Base-Backbone interact. energy: -0.550
local terms energy: -236.658244
where:
bonds (distance) C4'-P energy: -41.184
bonds (distance) P-C4' energy: -51.922
flat angles C4'-P-C4' energy: -54.679
flat angles P-C4'-P energy: -40.657
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: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -682.084347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.084347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.084347 (E_RNA)
where:
Base-Base interactions energy: -439.536
where: short stacking energy: -188.012
Base-Backbone interact. energy: 0.450
local terms energy: -242.997750
where:
bonds (distance) C4'-P energy: -53.474
bonds (distance) P-C4' energy: -45.380
flat angles C4'-P-C4' energy: -53.410
flat angles P-C4'-P energy: -33.998
tors. eta vs tors. theta energy: -56.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -476.382577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.382577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.382577 (E_RNA)
where:
Base-Base interactions energy: -306.051
where: short stacking energy: -145.062
Base-Backbone interact. energy: 2.083
local terms energy: -172.413849
where:
bonds (distance) C4'-P energy: -47.832
bonds (distance) P-C4' energy: -42.584
flat angles C4'-P-C4' energy: -39.365
flat angles P-C4'-P energy: -18.169
tors. eta vs tors. theta energy: -24.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -328.304303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.304303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.304303 (E_RNA)
where:
Base-Base interactions energy: -162.093
where: short stacking energy: -81.770
Base-Backbone interact. energy: -0.618
local terms energy: -165.592536
where:
bonds (distance) C4'-P energy: -37.311
bonds (distance) P-C4' energy: -44.541
flat angles C4'-P-C4' energy: -36.092
flat angles P-C4'-P energy: -36.673
tors. eta vs tors. theta energy: -10.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -948.454434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.454434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.454434 (E_RNA)
where:
Base-Base interactions energy: -652.928
where: short stacking energy: -299.567
Base-Backbone interact. energy: 3.027
local terms energy: -298.553691
where:
bonds (distance) C4'-P energy: -47.487
bonds (distance) P-C4' energy: -50.352
flat angles C4'-P-C4' energy: -65.141
flat angles P-C4'-P energy: -45.896
tors. eta vs tors. theta energy: -89.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -942.352825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.352825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.352825 (E_RNA)
where:
Base-Base interactions energy: -647.725
where: short stacking energy: -291.340
Base-Backbone interact. energy: -0.752
local terms energy: -293.875718
where:
bonds (distance) C4'-P energy: -55.414
bonds (distance) P-C4' energy: -56.384
flat angles C4'-P-C4' energy: -57.482
flat angles P-C4'-P energy: -39.558
tors. eta vs tors. theta energy: -85.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -907.799118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.799118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.799118 (E_RNA)
where:
Base-Base interactions energy: -634.576
where: short stacking energy: -275.850
Base-Backbone interact. energy: -1.358
local terms energy: -271.865521
where:
bonds (distance) C4'-P energy: -56.480
bonds (distance) P-C4' energy: -49.478
flat angles C4'-P-C4' energy: -49.293
flat angles P-C4'-P energy: -39.953
tors. eta vs tors. theta energy: -76.661
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: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -855.531924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.531924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.531924 (E_RNA)
where:
Base-Base interactions energy: -586.973
where: short stacking energy: -254.868
Base-Backbone interact. energy: 0.163
local terms energy: -268.721441
where:
bonds (distance) C4'-P energy: -48.939
bonds (distance) P-C4' energy: -51.979
flat angles C4'-P-C4' energy: -54.368
flat angles P-C4'-P energy: -45.590
tors. eta vs tors. theta energy: -67.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -827.137226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.137226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.137226 (E_RNA)
where:
Base-Base interactions energy: -568.638
where: short stacking energy: -240.446
Base-Backbone interact. energy: 0.458
local terms energy: -258.956751
where:
bonds (distance) C4'-P energy: -39.105
bonds (distance) P-C4' energy: -51.651
flat angles C4'-P-C4' energy: -59.650
flat angles P-C4'-P energy: -39.221
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: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -744.843187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.843187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.843187 (E_RNA)
where:
Base-Base interactions energy: -512.078
where: short stacking energy: -208.516
Base-Backbone interact. energy: 0.372
local terms energy: -233.137135
where:
bonds (distance) C4'-P energy: -50.079
bonds (distance) P-C4' energy: -44.249
flat angles C4'-P-C4' energy: -56.109
flat angles P-C4'-P energy: -28.943
tors. eta vs tors. theta energy: -53.757
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: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -735.082106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.082106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.082106 (E_RNA)
where:
Base-Base interactions energy: -496.820
where: short stacking energy: -218.080
Base-Backbone interact. energy: -0.359
local terms energy: -237.904009
where:
bonds (distance) C4'-P energy: -39.653
bonds (distance) P-C4' energy: -45.058
flat angles C4'-P-C4' energy: -60.966
flat angles P-C4'-P energy: -31.517
tors. eta vs tors. theta energy: -60.710
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: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -664.172143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.172143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.172143 (E_RNA)
where:
Base-Base interactions energy: -450.432
where: short stacking energy: -198.716
Base-Backbone interact. energy: -0.715
local terms energy: -213.024574
where:
bonds (distance) C4'-P energy: -52.373
bonds (distance) P-C4' energy: -40.298
flat angles C4'-P-C4' energy: -43.031
flat angles P-C4'-P energy: -28.666
tors. eta vs tors. theta energy: -48.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -482.877043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.877043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.877043 (E_RNA)
where:
Base-Base interactions energy: -316.176
where: short stacking energy: -130.729
Base-Backbone interact. energy: -0.538
local terms energy: -166.162558
where:
bonds (distance) C4'-P energy: -41.775
bonds (distance) P-C4' energy: -44.667
flat angles C4'-P-C4' energy: -39.089
flat angles P-C4'-P energy: -25.448
tors. eta vs tors. theta energy: -15.184
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: 335
Temperature: 1.350000
Total energy: -310.399849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.399849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.399849 (E_RNA)
where:
Base-Base interactions energy: -173.558
where: short stacking energy: -92.994
Base-Backbone interact. energy: 2.580
local terms energy: -139.422392
where:
bonds (distance) C4'-P energy: -47.003
bonds (distance) P-C4' energy: -42.598
flat angles C4'-P-C4' energy: -35.840
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -930.945204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.945204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.945204 (E_RNA)
where:
Base-Base interactions energy: -630.885
where: short stacking energy: -280.748
Base-Backbone interact. energy: 0.092
local terms energy: -300.152294
where:
bonds (distance) C4'-P energy: -56.256
bonds (distance) P-C4' energy: -56.954
flat angles C4'-P-C4' energy: -59.540
flat angles P-C4'-P energy: -41.379
tors. eta vs tors. theta energy: -86.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -946.483036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.483036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.483036 (E_RNA)
where:
Base-Base interactions energy: -665.153
where: short stacking energy: -290.584
Base-Backbone interact. energy: -1.038
local terms energy: -280.292026
where:
bonds (distance) C4'-P energy: -48.464
bonds (distance) P-C4' energy: -57.473
flat angles C4'-P-C4' energy: -55.903
flat angles P-C4'-P energy: -29.215
tors. eta vs tors. theta energy: -89.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -897.916164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.916164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.916164 (E_RNA)
where:
Base-Base interactions energy: -592.941
where: short stacking energy: -255.958
Base-Backbone interact. energy: -0.889
local terms energy: -304.086638
where:
bonds (distance) C4'-P energy: -54.166
bonds (distance) P-C4' energy: -57.217
flat angles C4'-P-C4' energy: -60.222
flat angles P-C4'-P energy: -46.462
tors. eta vs tors. theta energy: -86.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -873.925173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.925173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.925173 (E_RNA)
where:
Base-Base interactions energy: -603.779
where: short stacking energy: -256.328
Base-Backbone interact. energy: -1.522
local terms energy: -268.624329
where:
bonds (distance) C4'-P energy: -43.219
bonds (distance) P-C4' energy: -43.950
flat angles C4'-P-C4' energy: -60.824
flat angles P-C4'-P energy: -38.846
tors. eta vs tors. theta energy: -81.785
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: 5, replica: 9
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -799.746952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.746952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.746952 (E_RNA)
where:
Base-Base interactions energy: -556.218
where: short stacking energy: -233.025
Base-Backbone interact. energy: 0.491
local terms energy: -244.020131
where:
bonds (distance) C4'-P energy: -48.907
bonds (distance) P-C4' energy: -41.367
flat angles C4'-P-C4' energy: -56.028
flat angles P-C4'-P energy: -36.711
tors. eta vs tors. theta energy: -61.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -762.936949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.936949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.936949 (E_RNA)
where:
Base-Base interactions energy: -522.478
where: short stacking energy: -209.922
Base-Backbone interact. energy: -0.251
local terms energy: -240.207880
where:
bonds (distance) C4'-P energy: -43.297
bonds (distance) P-C4' energy: -39.550
flat angles C4'-P-C4' energy: -49.716
flat angles P-C4'-P energy: -39.492
tors. eta vs tors. theta energy: -68.153
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: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -711.953274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.953274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.953274 (E_RNA)
where:
Base-Base interactions energy: -483.632
where: short stacking energy: -200.530
Base-Backbone interact. energy: -1.197
local terms energy: -227.124564
where:
bonds (distance) C4'-P energy: -39.991
bonds (distance) P-C4' energy: -43.894
flat angles C4'-P-C4' energy: -55.017
flat angles P-C4'-P energy: -44.457
tors. eta vs tors. theta energy: -43.766
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: 8, replica: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -684.389731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.389731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.389731 (E_RNA)
where:
Base-Base interactions energy: -464.004
where: short stacking energy: -194.031
Base-Backbone interact. energy: -0.420
local terms energy: -219.966433
where:
bonds (distance) C4'-P energy: -40.445
bonds (distance) P-C4' energy: -41.014
flat angles C4'-P-C4' energy: -49.548
flat angles P-C4'-P energy: -38.174
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: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -498.782772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.782772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.782772 (E_RNA)
where:
Base-Base interactions energy: -319.860
where: short stacking energy: -146.375
Base-Backbone interact. energy: -0.332
local terms energy: -178.590691
where:
bonds (distance) C4'-P energy: -41.656
bonds (distance) P-C4' energy: -48.511
flat angles C4'-P-C4' energy: -37.757
flat angles P-C4'-P energy: -21.725
tors. eta vs tors. theta energy: -28.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -340.536757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.536757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.536757 (E_RNA)
where:
Base-Base interactions energy: -185.586
where: short stacking energy: -93.224
Base-Backbone interact. energy: -1.675
local terms energy: -153.275573
where:
bonds (distance) C4'-P energy: -45.332
bonds (distance) P-C4' energy: -31.896
flat angles C4'-P-C4' energy: -39.727
flat angles P-C4'-P energy: -28.875
tors. eta vs tors. theta energy: -7.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -950.291757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.291757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.291757 (E_RNA)
where:
Base-Base interactions energy: -653.550
where: short stacking energy: -294.864
Base-Backbone interact. energy: -0.652
local terms energy: -296.089642
where:
bonds (distance) C4'-P energy: -54.940
bonds (distance) P-C4' energy: -54.115
flat angles C4'-P-C4' energy: -57.807
flat angles P-C4'-P energy: -40.469
tors. eta vs tors. theta energy: -88.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -930.844373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.844373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.844373 (E_RNA)
where:
Base-Base interactions energy: -645.795
where: short stacking energy: -300.451
Base-Backbone interact. energy: 1.727
local terms energy: -286.775904
where:
bonds (distance) C4'-P energy: -44.204
bonds (distance) P-C4' energy: -54.553
flat angles C4'-P-C4' energy: -62.326
flat angles P-C4'-P energy: -36.391
tors. eta vs tors. theta energy: -89.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -889.494012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.494012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.494012 (E_RNA)
where:
Base-Base interactions energy: -614.879
where: short stacking energy: -276.736
Base-Backbone interact. energy: -0.166
local terms energy: -274.448770
where:
bonds (distance) C4'-P energy: -49.797
bonds (distance) P-C4' energy: -47.161
flat angles C4'-P-C4' energy: -61.214
flat angles P-C4'-P energy: -40.622
tors. eta vs tors. theta energy: -75.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -845.667995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.667995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.667995 (E_RNA)
where:
Base-Base interactions energy: -589.565
where: short stacking energy: -243.421
Base-Backbone interact. energy: 0.412
local terms energy: -256.515439
where:
bonds (distance) C4'-P energy: -49.922
bonds (distance) P-C4' energy: -47.889
flat angles C4'-P-C4' energy: -49.163
flat angles P-C4'-P energy: -36.224
tors. eta vs tors. theta energy: -73.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -833.989087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.989087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.989087 (E_RNA)
where:
Base-Base interactions energy: -590.714
where: short stacking energy: -244.646
Base-Backbone interact. energy: -1.481
local terms energy: -241.794023
where:
bonds (distance) C4'-P energy: -44.380
bonds (distance) P-C4' energy: -41.854
flat angles C4'-P-C4' energy: -50.098
flat angles P-C4'-P energy: -37.474
tors. eta vs tors. theta energy: -67.989
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: 6, replica: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -709.991974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.991974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.991974 (E_RNA)
where:
Base-Base interactions energy: -481.528
where: short stacking energy: -188.484
Base-Backbone interact. energy: 0.626
local terms energy: -229.090040
where:
bonds (distance) C4'-P energy: -49.681
bonds (distance) P-C4' energy: -51.458
flat angles C4'-P-C4' energy: -50.556
flat angles P-C4'-P energy: -32.418
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: 7, replica: 5
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -714.465914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.465914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.465914 (E_RNA)
where:
Base-Base interactions energy: -506.609
where: short stacking energy: -199.329
Base-Backbone interact. energy: -0.220
local terms energy: -207.637070
where:
bonds (distance) C4'-P energy: -38.528
bonds (distance) P-C4' energy: -40.898
flat angles C4'-P-C4' energy: -45.523
flat angles P-C4'-P energy: -36.021
tors. eta vs tors. theta energy: -46.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -673.403149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.403149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.403149 (E_RNA)
where:
Base-Base interactions energy: -442.316
where: short stacking energy: -193.726
Base-Backbone interact. energy: -0.938
local terms energy: -230.149110
where:
bonds (distance) C4'-P energy: -42.675
bonds (distance) P-C4' energy: -55.105
flat angles C4'-P-C4' energy: -49.842
flat angles P-C4'-P energy: -29.488
tors. eta vs tors. theta energy: -53.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -487.854809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.854809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.854809 (E_RNA)
where:
Base-Base interactions energy: -284.246
where: short stacking energy: -132.421
Base-Backbone interact. energy: -0.180
local terms energy: -203.429252
where:
bonds (distance) C4'-P energy: -43.861
bonds (distance) P-C4' energy: -53.681
flat angles C4'-P-C4' energy: -51.569
flat angles P-C4'-P energy: -30.971
tors. eta vs tors. theta energy: -23.348
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: 337
Temperature: 1.350000
Total energy: -355.236439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.236439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.236439 (E_RNA)
where:
Base-Base interactions energy: -202.445
where: short stacking energy: -106.290
Base-Backbone interact. energy: 4.268
local terms energy: -157.059609
where:
bonds (distance) C4'-P energy: -32.686
bonds (distance) P-C4' energy: -47.415
flat angles C4'-P-C4' energy: -43.143
flat angles P-C4'-P energy: -28.316
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -946.401329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.401329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.401329 (E_RNA)
where:
Base-Base interactions energy: -658.611
where: short stacking energy: -304.362
Base-Backbone interact. energy: -1.605
local terms energy: -286.185647
where:
bonds (distance) C4'-P energy: -47.732
bonds (distance) P-C4' energy: -53.050
flat angles C4'-P-C4' energy: -59.122
flat angles P-C4'-P energy: -38.563
tors. eta vs tors. theta energy: -87.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -931.107927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.107927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.107927 (E_RNA)
where:
Base-Base interactions energy: -651.503
where: short stacking energy: -282.432
Base-Backbone interact. energy: -1.178
local terms energy: -278.427048
where:
bonds (distance) C4'-P energy: -45.607
bonds (distance) P-C4' energy: -53.950
flat angles C4'-P-C4' energy: -59.728
flat angles P-C4'-P energy: -37.864
tors. eta vs tors. theta energy: -81.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -859.234689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.234689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.234689 (E_RNA)
where:
Base-Base interactions energy: -597.575
where: short stacking energy: -241.594
Base-Backbone interact. energy: -0.568
local terms energy: -261.091783
where:
bonds (distance) C4'-P energy: -43.842
bonds (distance) P-C4' energy: -57.231
flat angles C4'-P-C4' energy: -58.831
flat angles P-C4'-P energy: -32.400
tors. eta vs tors. theta energy: -68.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -857.067608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.067608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.067608 (E_RNA)
where:
Base-Base interactions energy: -585.556
where: short stacking energy: -262.744
Base-Backbone interact. energy: -0.536
local terms energy: -270.974746
where:
bonds (distance) C4'-P energy: -52.355
bonds (distance) P-C4' energy: -55.144
flat angles C4'-P-C4' energy: -49.476
flat angles P-C4'-P energy: -37.871
tors. eta vs tors. theta energy: -76.130
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: 2
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -829.256715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.256715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.256715 (E_RNA)
where:
Base-Base interactions energy: -563.569
where: short stacking energy: -229.545
Base-Backbone interact. energy: -1.158
local terms energy: -264.530138
where:
bonds (distance) C4'-P energy: -36.295
bonds (distance) P-C4' energy: -53.130
flat angles C4'-P-C4' energy: -61.964
flat angles P-C4'-P energy: -37.576
tors. eta vs tors. theta energy: -75.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -710.079025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.079025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.079025 (E_RNA)
where:
Base-Base interactions energy: -488.625
where: short stacking energy: -191.396
Base-Backbone interact. energy: -2.557
local terms energy: -218.896582
where:
bonds (distance) C4'-P energy: -51.033
bonds (distance) P-C4' energy: -44.759
flat angles C4'-P-C4' energy: -39.774
flat angles P-C4'-P energy: -38.024
tors. eta vs tors. theta energy: -45.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -693.282089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.282089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.282089 (E_RNA)
where:
Base-Base interactions energy: -474.465
where: short stacking energy: -217.572
Base-Backbone interact. energy: -0.430
local terms energy: -218.386952
where:
bonds (distance) C4'-P energy: -42.101
bonds (distance) P-C4' energy: -37.547
flat angles C4'-P-C4' energy: -50.314
flat angles P-C4'-P energy: -25.665
tors. eta vs tors. theta energy: -62.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -710.249898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.249898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.249898 (E_RNA)
where:
Base-Base interactions energy: -484.469
where: short stacking energy: -184.941
Base-Backbone interact. energy: 0.065
local terms energy: -225.845919
where:
bonds (distance) C4'-P energy: -46.211
bonds (distance) P-C4' energy: -47.231
flat angles C4'-P-C4' energy: -51.188
flat angles P-C4'-P energy: -35.841
tors. eta vs tors. theta energy: -45.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -522.262659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.262659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.262659 (E_RNA)
where:
Base-Base interactions energy: -346.524
where: short stacking energy: -148.937
Base-Backbone interact. energy: -1.112
local terms energy: -174.626668
where:
bonds (distance) C4'-P energy: -45.228
bonds (distance) P-C4' energy: -38.575
flat angles C4'-P-C4' energy: -36.480
flat angles P-C4'-P energy: -28.582
tors. eta vs tors. theta energy: -25.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -319.130204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.130204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.130204 (E_RNA)
where:
Base-Base interactions energy: -155.068
where: short stacking energy: -90.926
Base-Backbone interact. energy: -2.093
local terms energy: -161.969215
where:
bonds (distance) C4'-P energy: -41.009
bonds (distance) P-C4' energy: -46.645
flat angles C4'-P-C4' energy: -33.507
flat angles P-C4'-P energy: -36.163
tors. eta vs tors. theta energy: -4.645
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: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -950.856425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.856425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.856425 (E_RNA)
where:
Base-Base interactions energy: -648.037
where: short stacking energy: -288.773
Base-Backbone interact. energy: -1.204
local terms energy: -301.615647
where:
bonds (distance) C4'-P energy: -46.312
bonds (distance) P-C4' energy: -58.168
flat angles C4'-P-C4' energy: -64.078
flat angles P-C4'-P energy: -44.899
tors. eta vs tors. theta energy: -88.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -933.022897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.022897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.022897 (E_RNA)
where:
Base-Base interactions energy: -643.933
where: short stacking energy: -279.022
Base-Backbone interact. energy: -0.338
local terms energy: -288.752460
where:
bonds (distance) C4'-P energy: -54.017
bonds (distance) P-C4' energy: -51.852
flat angles C4'-P-C4' energy: -58.462
flat angles P-C4'-P energy: -40.856
tors. eta vs tors. theta energy: -83.567
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: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -862.504200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.504200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.504200 (E_RNA)
where:
Base-Base interactions energy: -602.876
where: short stacking energy: -250.501
Base-Backbone interact. energy: 1.035
local terms energy: -260.664110
where:
bonds (distance) C4'-P energy: -45.745
bonds (distance) P-C4' energy: -50.150
flat angles C4'-P-C4' energy: -49.891
flat angles P-C4'-P energy: -37.106
tors. eta vs tors. theta energy: -77.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -856.174008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.174008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.174008 (E_RNA)
where:
Base-Base interactions energy: -575.817
where: short stacking energy: -255.488
Base-Backbone interact. energy: -1.032
local terms energy: -279.325112
where:
bonds (distance) C4'-P energy: -51.416
bonds (distance) P-C4' energy: -56.666
flat angles C4'-P-C4' energy: -56.977
flat angles P-C4'-P energy: -42.153
tors. eta vs tors. theta energy: -72.113
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: 339
Temperature: 1.100000
Total energy: -827.619021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.619021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.619021 (E_RNA)
where:
Base-Base interactions energy: -559.328
where: short stacking energy: -239.604
Base-Backbone interact. energy: 1.078
local terms energy: -269.369548
where:
bonds (distance) C4'-P energy: -52.070
bonds (distance) P-C4' energy: -52.107
flat angles C4'-P-C4' energy: -56.156
flat angles P-C4'-P energy: -36.422
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: 6, replica: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -708.048702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.048702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.048702 (E_RNA)
where:
Base-Base interactions energy: -478.775
where: short stacking energy: -203.581
Base-Backbone interact. energy: -0.729
local terms energy: -228.544407
where:
bonds (distance) C4'-P energy: -38.071
bonds (distance) P-C4' energy: -52.242
flat angles C4'-P-C4' energy: -55.365
flat angles P-C4'-P energy: -38.318
tors. eta vs tors. theta energy: -44.549
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: 4
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -654.169645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.169645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.169645 (E_RNA)
where:
Base-Base interactions energy: -433.174
where: short stacking energy: -175.692
Base-Backbone interact. energy: -1.956
local terms energy: -219.039170
where:
bonds (distance) C4'-P energy: -42.942
bonds (distance) P-C4' energy: -56.020
flat angles C4'-P-C4' energy: -43.197
flat angles P-C4'-P energy: -27.346
tors. eta vs tors. theta energy: -49.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -708.817077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.817077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.817077 (E_RNA)
where:
Base-Base interactions energy: -495.244
where: short stacking energy: -195.644
Base-Backbone interact. energy: 1.521
local terms energy: -215.093699
where:
bonds (distance) C4'-P energy: -38.544
bonds (distance) P-C4' energy: -48.300
flat angles C4'-P-C4' energy: -49.055
flat angles P-C4'-P energy: -24.642
tors. eta vs tors. theta energy: -54.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -598.541924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.541924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.541924 (E_RNA)
where:
Base-Base interactions energy: -402.643
where: short stacking energy: -169.737
Base-Backbone interact. energy: -0.526
local terms energy: -195.372664
where:
bonds (distance) C4'-P energy: -40.822
bonds (distance) P-C4' energy: -48.081
flat angles C4'-P-C4' energy: -38.450
flat angles P-C4'-P energy: -32.791
tors. eta vs tors. theta energy: -35.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -319.338489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.338489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.338489 (E_RNA)
where:
Base-Base interactions energy: -151.851
where: short stacking energy: -85.785
Base-Backbone interact. energy: -1.385
local terms energy: -166.103131
where:
bonds (distance) C4'-P energy: -46.510
bonds (distance) P-C4' energy: -51.074
flat angles C4'-P-C4' energy: -35.543
flat angles P-C4'-P energy: -27.881
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -950.902299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.902299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.902299 (E_RNA)
where:
Base-Base interactions energy: -650.642
where: short stacking energy: -288.258
Base-Backbone interact. energy: 1.288
local terms energy: -301.548049
where:
bonds (distance) C4'-P energy: -52.722
bonds (distance) P-C4' energy: -56.695
flat angles C4'-P-C4' energy: -60.787
flat angles P-C4'-P energy: -38.095
tors. eta vs tors. theta energy: -93.249
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: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -930.640556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.640556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.640556 (E_RNA)
where:
Base-Base interactions energy: -646.171
where: short stacking energy: -289.692
Base-Backbone interact. energy: -0.877
local terms energy: -283.592885
where:
bonds (distance) C4'-P energy: -54.140
bonds (distance) P-C4' energy: -43.203
flat angles C4'-P-C4' energy: -56.764
flat angles P-C4'-P energy: -44.236
tors. eta vs tors. theta energy: -85.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -873.347922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.347922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.347922 (E_RNA)
where:
Base-Base interactions energy: -601.985
where: short stacking energy: -247.904
Base-Backbone interact. energy: -0.614
local terms energy: -270.748628
where:
bonds (distance) C4'-P energy: -55.787
bonds (distance) P-C4' energy: -48.604
flat angles C4'-P-C4' energy: -54.769
flat angles P-C4'-P energy: -35.912
tors. eta vs tors. theta energy: -75.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -827.691278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.691278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.691278 (E_RNA)
where:
Base-Base interactions energy: -576.078
where: short stacking energy: -242.692
Base-Backbone interact. energy: -0.155
local terms energy: -251.458429
where:
bonds (distance) C4'-P energy: -44.086
bonds (distance) P-C4' energy: -41.556
flat angles C4'-P-C4' energy: -59.285
flat angles P-C4'-P energy: -39.964
tors. eta vs tors. theta energy: -66.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -806.558820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.558820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.558820 (E_RNA)
where:
Base-Base interactions energy: -548.861
where: short stacking energy: -224.103
Base-Backbone interact. energy: 0.077
local terms energy: -257.774506
where:
bonds (distance) C4'-P energy: -44.808
bonds (distance) P-C4' energy: -57.022
flat angles C4'-P-C4' energy: -56.703
flat angles P-C4'-P energy: -30.779
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: 6, replica: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -729.471584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.471584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.471584 (E_RNA)
where:
Base-Base interactions energy: -497.737
where: short stacking energy: -201.190
Base-Backbone interact. energy: -0.988
local terms energy: -230.747035
where:
bonds (distance) C4'-P energy: -45.653
bonds (distance) P-C4' energy: -49.850
flat angles C4'-P-C4' energy: -47.284
flat angles P-C4'-P energy: -32.706
tors. eta vs tors. theta energy: -55.254
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: 5
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -720.226109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.226109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.226109 (E_RNA)
where:
Base-Base interactions energy: -488.599
where: short stacking energy: -206.802
Base-Backbone interact. energy: 0.165
local terms energy: -231.791479
where:
bonds (distance) C4'-P energy: -46.934
bonds (distance) P-C4' energy: -49.006
flat angles C4'-P-C4' energy: -47.741
flat angles P-C4'-P energy: -38.456
tors. eta vs tors. theta energy: -49.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -717.318551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.318551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.318551 (E_RNA)
where:
Base-Base interactions energy: -492.266
where: short stacking energy: -206.158
Base-Backbone interact. energy: 1.141
local terms energy: -226.193800
where:
bonds (distance) C4'-P energy: -44.086
bonds (distance) P-C4' energy: -50.298
flat angles C4'-P-C4' energy: -47.250
flat angles P-C4'-P energy: -32.188
tors. eta vs tors. theta energy: -52.372
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: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -598.133392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.133392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.133392 (E_RNA)
where:
Base-Base interactions energy: -385.437
where: short stacking energy: -170.131
Base-Backbone interact. energy: -1.006
local terms energy: -211.690167
where:
bonds (distance) C4'-P energy: -41.530
bonds (distance) P-C4' energy: -48.075
flat angles C4'-P-C4' energy: -46.097
flat angles P-C4'-P energy: -32.748
tors. eta vs tors. theta energy: -43.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -315.903261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.903261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.903261 (E_RNA)
where:
Base-Base interactions energy: -148.994
where: short stacking energy: -102.494
Base-Backbone interact. energy: -1.049
local terms energy: -165.860918
where:
bonds (distance) C4'-P energy: -44.718
bonds (distance) P-C4' energy: -45.556
flat angles C4'-P-C4' energy: -44.470
flat angles P-C4'-P energy: -21.272
tors. eta vs tors. theta energy: -9.845
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: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -953.554829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.554829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.554829 (E_RNA)
where:
Base-Base interactions energy: -647.695
where: short stacking energy: -291.670
Base-Backbone interact. energy: -0.237
local terms energy: -305.622373
where:
bonds (distance) C4'-P energy: -51.305
bonds (distance) P-C4' energy: -59.370
flat angles C4'-P-C4' energy: -63.763
flat angles P-C4'-P energy: -39.884
tors. eta vs tors. theta energy: -91.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -909.638077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.638077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.638077 (E_RNA)
where:
Base-Base interactions energy: -632.292
where: short stacking energy: -263.883
Base-Backbone interact. energy: 1.125
local terms energy: -278.470868
where:
bonds (distance) C4'-P energy: -56.794
bonds (distance) P-C4' energy: -46.766
flat angles C4'-P-C4' energy: -55.562
flat angles P-C4'-P energy: -36.812
tors. eta vs tors. theta energy: -82.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -871.021249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.021249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.021249 (E_RNA)
where:
Base-Base interactions energy: -603.519
where: short stacking energy: -249.515
Base-Backbone interact. energy: 0.149
local terms energy: -267.652051
where:
bonds (distance) C4'-P energy: -49.918
bonds (distance) P-C4' energy: -49.818
flat angles C4'-P-C4' energy: -50.977
flat angles P-C4'-P energy: -39.398
tors. eta vs tors. theta energy: -77.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -820.678664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.678664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.678664 (E_RNA)
where:
Base-Base interactions energy: -565.466
where: short stacking energy: -233.846
Base-Backbone interact. energy: -1.135
local terms energy: -254.077480
where:
bonds (distance) C4'-P energy: -48.294
bonds (distance) P-C4' energy: -52.087
flat angles C4'-P-C4' energy: -56.838
flat angles P-C4'-P energy: -32.350
tors. eta vs tors. theta energy: -64.509
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: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -785.228875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.228875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.228875 (E_RNA)
where:
Base-Base interactions energy: -526.639
where: short stacking energy: -226.867
Base-Backbone interact. energy: -0.872
local terms energy: -257.718273
where:
bonds (distance) C4'-P energy: -56.705
bonds (distance) P-C4' energy: -47.447
flat angles C4'-P-C4' energy: -49.545
flat angles P-C4'-P energy: -37.560
tors. eta vs tors. theta energy: -66.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -749.856364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.856364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.856364 (E_RNA)
where:
Base-Base interactions energy: -503.315
where: short stacking energy: -209.983
Base-Backbone interact. energy: 1.758
local terms energy: -248.298752
where:
bonds (distance) C4'-P energy: -45.032
bonds (distance) P-C4' energy: -55.111
flat angles C4'-P-C4' energy: -49.078
flat angles P-C4'-P energy: -42.528
tors. eta vs tors. theta energy: -56.550
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: 341
Temperature: 1.200000
Total energy: -714.396320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.396320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.396320 (E_RNA)
where:
Base-Base interactions energy: -497.698
where: short stacking energy: -193.715
Base-Backbone interact. energy: 0.442
local terms energy: -217.139839
where:
bonds (distance) C4'-P energy: -39.545
bonds (distance) P-C4' energy: -30.433
flat angles C4'-P-C4' energy: -51.014
flat angles P-C4'-P energy: -36.338
tors. eta vs tors. theta energy: -59.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -677.021629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.021629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.021629 (E_RNA)
where:
Base-Base interactions energy: -445.981
where: short stacking energy: -200.031
Base-Backbone interact. energy: -0.699
local terms energy: -230.342132
where:
bonds (distance) C4'-P energy: -41.766
bonds (distance) P-C4' energy: -50.034
flat angles C4'-P-C4' energy: -49.131
flat angles P-C4'-P energy: -30.745
tors. eta vs tors. theta energy: -58.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -598.266770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.266770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.266770 (E_RNA)
where:
Base-Base interactions energy: -395.397
where: short stacking energy: -170.056
Base-Backbone interact. energy: -0.217
local terms energy: -202.652894
where:
bonds (distance) C4'-P energy: -47.738
bonds (distance) P-C4' energy: -47.396
flat angles C4'-P-C4' energy: -44.700
flat angles P-C4'-P energy: -23.890
tors. eta vs tors. theta energy: -38.928
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: 341
Temperature: 1.350000
Total energy: -350.994530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.994530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.994530 (E_RNA)
where:
Base-Base interactions energy: -201.200
where: short stacking energy: -99.685
Base-Backbone interact. energy: 2.221
local terms energy: -152.016330
where:
bonds (distance) C4'-P energy: -42.580
bonds (distance) P-C4' energy: -39.082
flat angles C4'-P-C4' energy: -33.601
flat angles P-C4'-P energy: -29.408
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: 1, replica: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -958.954223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.954223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.954223 (E_RNA)
where:
Base-Base interactions energy: -660.394
where: short stacking energy: -293.666
Base-Backbone interact. energy: -0.810
local terms energy: -297.750524
where:
bonds (distance) C4'-P energy: -59.391
bonds (distance) P-C4' energy: -47.007
flat angles C4'-P-C4' energy: -61.250
flat angles P-C4'-P energy: -38.140
tors. eta vs tors. theta energy: -91.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -919.291580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.291580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.291580 (E_RNA)
where:
Base-Base interactions energy: -641.825
where: short stacking energy: -285.414
Base-Backbone interact. energy: -0.829
local terms energy: -276.637747
where:
bonds (distance) C4'-P energy: -54.651
bonds (distance) P-C4' energy: -49.206
flat angles C4'-P-C4' energy: -53.408
flat angles P-C4'-P energy: -41.242
tors. eta vs tors. theta energy: -78.131
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: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -859.797530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.797530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.797530 (E_RNA)
where:
Base-Base interactions energy: -593.255
where: short stacking energy: -244.218
Base-Backbone interact. energy: -0.590
local terms energy: -265.952759
where:
bonds (distance) C4'-P energy: -50.513
bonds (distance) P-C4' energy: -48.277
flat angles C4'-P-C4' energy: -55.515
flat angles P-C4'-P energy: -40.449
tors. eta vs tors. theta energy: -71.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -841.584528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.584528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.584528 (E_RNA)
where:
Base-Base interactions energy: -567.757
where: short stacking energy: -255.759
Base-Backbone interact. energy: -1.053
local terms energy: -272.774350
where:
bonds (distance) C4'-P energy: -46.931
bonds (distance) P-C4' energy: -52.513
flat angles C4'-P-C4' energy: -59.597
flat angles P-C4'-P energy: -41.388
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: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -804.158352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.158352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.158352 (E_RNA)
where:
Base-Base interactions energy: -549.245
where: short stacking energy: -249.046
Base-Backbone interact. energy: -0.291
local terms energy: -254.622601
where:
bonds (distance) C4'-P energy: -44.875
bonds (distance) P-C4' energy: -41.783
flat angles C4'-P-C4' energy: -54.381
flat angles P-C4'-P energy: -38.255
tors. eta vs tors. theta energy: -75.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -749.982586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.982586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.982586 (E_RNA)
where:
Base-Base interactions energy: -526.489
where: short stacking energy: -214.381
Base-Backbone interact. energy: 0.288
local terms energy: -223.781235
where:
bonds (distance) C4'-P energy: -47.771
bonds (distance) P-C4' energy: -43.990
flat angles C4'-P-C4' energy: -41.024
flat angles P-C4'-P energy: -30.129
tors. eta vs tors. theta energy: -60.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -733.114872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.114872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.114872 (E_RNA)
where:
Base-Base interactions energy: -504.686
where: short stacking energy: -209.824
Base-Backbone interact. energy: -0.130
local terms energy: -228.298786
where:
bonds (distance) C4'-P energy: -41.624
bonds (distance) P-C4' energy: -44.021
flat angles C4'-P-C4' energy: -51.462
flat angles P-C4'-P energy: -27.966
tors. eta vs tors. theta energy: -63.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -640.042508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.042508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.042508 (E_RNA)
where:
Base-Base interactions energy: -441.822
where: short stacking energy: -197.523
Base-Backbone interact. energy: -1.439
local terms energy: -196.781342
where:
bonds (distance) C4'-P energy: -43.943
bonds (distance) P-C4' energy: -37.433
flat angles C4'-P-C4' energy: -45.233
flat angles P-C4'-P energy: -23.670
tors. eta vs tors. theta energy: -46.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -606.744392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.744392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.744392 (E_RNA)
where:
Base-Base interactions energy: -409.084
where: short stacking energy: -185.215
Base-Backbone interact. energy: -0.754
local terms energy: -196.905908
where:
bonds (distance) C4'-P energy: -42.857
bonds (distance) P-C4' energy: -33.846
flat angles C4'-P-C4' energy: -53.306
flat angles P-C4'-P energy: -26.701
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: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -414.681363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.681363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.681363 (E_RNA)
where:
Base-Base interactions energy: -242.330
where: short stacking energy: -105.194
Base-Backbone interact. energy: -2.499
local terms energy: -169.851968
where:
bonds (distance) C4'-P energy: -49.828
bonds (distance) P-C4' energy: -52.170
flat angles C4'-P-C4' energy: -39.427
flat angles P-C4'-P energy: -19.012
tors. eta vs tors. theta energy: -9.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -961.318529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.318529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.318529 (E_RNA)
where:
Base-Base interactions energy: -663.089
where: short stacking energy: -294.324
Base-Backbone interact. energy: -0.711
local terms energy: -297.517995
where:
bonds (distance) C4'-P energy: -50.507
bonds (distance) P-C4' energy: -56.584
flat angles C4'-P-C4' energy: -58.337
flat angles P-C4'-P energy: -39.459
tors. eta vs tors. theta energy: -92.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -928.328846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.328846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.328846 (E_RNA)
where:
Base-Base interactions energy: -649.864
where: short stacking energy: -274.460
Base-Backbone interact. energy: -1.773
local terms energy: -276.692182
where:
bonds (distance) C4'-P energy: -53.302
bonds (distance) P-C4' energy: -47.077
flat angles C4'-P-C4' energy: -55.334
flat angles P-C4'-P energy: -45.584
tors. eta vs tors. theta energy: -75.396
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: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -865.315237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.315237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.315237 (E_RNA)
where:
Base-Base interactions energy: -596.682
where: short stacking energy: -260.776
Base-Backbone interact. energy: -0.748
local terms energy: -267.884696
where:
bonds (distance) C4'-P energy: -48.660
bonds (distance) P-C4' energy: -47.857
flat angles C4'-P-C4' energy: -58.713
flat angles P-C4'-P energy: -35.982
tors. eta vs tors. theta energy: -76.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -831.742513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.742513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.742513 (E_RNA)
where:
Base-Base interactions energy: -555.504
where: short stacking energy: -246.813
Base-Backbone interact. energy: -0.135
local terms energy: -276.103952
where:
bonds (distance) C4'-P energy: -52.671
bonds (distance) P-C4' energy: -54.551
flat angles C4'-P-C4' energy: -53.904
flat angles P-C4'-P energy: -40.923
tors. eta vs tors. theta energy: -74.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -823.380718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.380718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.380718 (E_RNA)
where:
Base-Base interactions energy: -553.203
where: short stacking energy: -262.443
Base-Backbone interact. energy: -1.165
local terms energy: -269.012203
where:
bonds (distance) C4'-P energy: -46.125
bonds (distance) P-C4' energy: -52.535
flat angles C4'-P-C4' energy: -58.590
flat angles P-C4'-P energy: -37.658
tors. eta vs tors. theta energy: -74.104
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: 5
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -719.727418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.727418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.727418 (E_RNA)
where:
Base-Base interactions energy: -485.839
where: short stacking energy: -198.946
Base-Backbone interact. energy: -0.408
local terms energy: -233.480543
where:
bonds (distance) C4'-P energy: -40.820
bonds (distance) P-C4' energy: -53.758
flat angles C4'-P-C4' energy: -54.880
flat angles P-C4'-P energy: -37.412
tors. eta vs tors. theta energy: -46.611
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: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -692.477447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.477447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.477447 (E_RNA)
where:
Base-Base interactions energy: -471.695
where: short stacking energy: -176.051
Base-Backbone interact. energy: -1.123
local terms energy: -219.659501
where:
bonds (distance) C4'-P energy: -40.101
bonds (distance) P-C4' energy: -41.346
flat angles C4'-P-C4' energy: -52.652
flat angles P-C4'-P energy: -38.587
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: 8, replica: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -639.147919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.147919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.147919 (E_RNA)
where:
Base-Base interactions energy: -454.039
where: short stacking energy: -170.148
Base-Backbone interact. energy: 0.565
local terms energy: -185.674432
where:
bonds (distance) C4'-P energy: -48.417
bonds (distance) P-C4' energy: -38.651
flat angles C4'-P-C4' energy: -39.355
flat angles P-C4'-P energy: -22.460
tors. eta vs tors. theta energy: -36.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -566.427703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.427703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.427703 (E_RNA)
where:
Base-Base interactions energy: -367.474
where: short stacking energy: -166.264
Base-Backbone interact. energy: -1.020
local terms energy: -197.934149
where:
bonds (distance) C4'-P energy: -41.966
bonds (distance) P-C4' energy: -52.643
flat angles C4'-P-C4' energy: -33.516
flat angles P-C4'-P energy: -35.087
tors. eta vs tors. theta energy: -34.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -404.969048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.969048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.969048 (E_RNA)
where:
Base-Base interactions energy: -226.529
where: short stacking energy: -112.661
Base-Backbone interact. energy: -0.281
local terms energy: -178.158596
where:
bonds (distance) C4'-P energy: -48.421
bonds (distance) P-C4' energy: -41.966
flat angles C4'-P-C4' energy: -52.857
flat angles P-C4'-P energy: -25.695
tors. eta vs tors. theta energy: -9.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -948.368924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.368924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.368924 (E_RNA)
where:
Base-Base interactions energy: -659.482
where: short stacking energy: -282.313
Base-Backbone interact. energy: -0.090
local terms energy: -288.797066
where:
bonds (distance) C4'-P energy: -54.884
bonds (distance) P-C4' energy: -50.552
flat angles C4'-P-C4' energy: -62.241
flat angles P-C4'-P energy: -41.816
tors. eta vs tors. theta energy: -79.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -945.224408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.224408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.224408 (E_RNA)
where:
Base-Base interactions energy: -640.175
where: short stacking energy: -299.530
Base-Backbone interact. energy: -0.566
local terms energy: -304.483477
where:
bonds (distance) C4'-P energy: -51.817
bonds (distance) P-C4' energy: -51.746
flat angles C4'-P-C4' energy: -68.153
flat angles P-C4'-P energy: -41.550
tors. eta vs tors. theta energy: -91.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -866.865294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.865294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.865294 (E_RNA)
where:
Base-Base interactions energy: -590.759
where: short stacking energy: -268.780
Base-Backbone interact. energy: 0.939
local terms energy: -277.045194
where:
bonds (distance) C4'-P energy: -47.771
bonds (distance) P-C4' energy: -54.058
flat angles C4'-P-C4' energy: -51.274
flat angles P-C4'-P energy: -43.814
tors. eta vs tors. theta energy: -80.128
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: 4, replica: 9
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -846.087645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.087645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.087645 (E_RNA)
where:
Base-Base interactions energy: -575.546
where: short stacking energy: -243.591
Base-Backbone interact. energy: -0.698
local terms energy: -269.844239
where:
bonds (distance) C4'-P energy: -49.678
bonds (distance) P-C4' energy: -49.348
flat angles C4'-P-C4' energy: -51.366
flat angles P-C4'-P energy: -43.690
tors. eta vs tors. theta energy: -75.762
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: 5, replica: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -810.899160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.899160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.899160 (E_RNA)
where:
Base-Base interactions energy: -558.190
where: short stacking energy: -236.101
Base-Backbone interact. energy: -0.880
local terms energy: -251.828863
where:
bonds (distance) C4'-P energy: -42.581
bonds (distance) P-C4' energy: -49.407
flat angles C4'-P-C4' energy: -52.897
flat angles P-C4'-P energy: -38.970
tors. eta vs tors. theta energy: -67.974
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: 5
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -725.940634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.940634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.940634 (E_RNA)
where:
Base-Base interactions energy: -500.615
where: short stacking energy: -206.784
Base-Backbone interact. energy: -1.143
local terms energy: -224.183316
where:
bonds (distance) C4'-P energy: -47.591
bonds (distance) P-C4' energy: -48.329
flat angles C4'-P-C4' energy: -55.823
flat angles P-C4'-P energy: -22.601
tors. eta vs tors. theta energy: -49.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -682.532153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.532153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.532153 (E_RNA)
where:
Base-Base interactions energy: -453.782
where: short stacking energy: -200.767
Base-Backbone interact. energy: -1.244
local terms energy: -227.505962
where:
bonds (distance) C4'-P energy: -38.741
bonds (distance) P-C4' energy: -49.704
flat angles C4'-P-C4' energy: -54.995
flat angles P-C4'-P energy: -29.507
tors. eta vs tors. theta energy: -54.559
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: 344
Temperature: 1.250000
Total energy: -684.864668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.864668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.864668 (E_RNA)
where:
Base-Base interactions energy: -478.753
where: short stacking energy: -187.437
Base-Backbone interact. energy: -0.218
local terms energy: -205.893131
where:
bonds (distance) C4'-P energy: -40.709
bonds (distance) P-C4' energy: -37.795
flat angles C4'-P-C4' energy: -41.565
flat angles P-C4'-P energy: -38.347
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: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -528.119864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.119864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.119864 (E_RNA)
where:
Base-Base interactions energy: -328.080
where: short stacking energy: -152.874
Base-Backbone interact. energy: -0.487
local terms energy: -199.552959
where:
bonds (distance) C4'-P energy: -39.904
bonds (distance) P-C4' energy: -48.188
flat angles C4'-P-C4' energy: -50.266
flat angles P-C4'-P energy: -33.531
tors. eta vs tors. theta energy: -27.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -353.297115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.297115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.297115 (E_RNA)
where:
Base-Base interactions energy: -208.727
where: short stacking energy: -92.024
Base-Backbone interact. energy: 0.361
local terms energy: -144.930994
where:
bonds (distance) C4'-P energy: -41.943
bonds (distance) P-C4' energy: -49.752
flat angles C4'-P-C4' energy: -45.270
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -944.575032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.575032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.575032 (E_RNA)
where:
Base-Base interactions energy: -655.220
where: short stacking energy: -273.317
Base-Backbone interact. energy: -1.030
local terms energy: -288.325544
where:
bonds (distance) C4'-P energy: -52.859
bonds (distance) P-C4' energy: -60.275
flat angles C4'-P-C4' energy: -54.632
flat angles P-C4'-P energy: -41.401
tors. eta vs tors. theta energy: -79.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -944.586644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.586644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.586644 (E_RNA)
where:
Base-Base interactions energy: -654.002
where: short stacking energy: -285.970
Base-Backbone interact. energy: 2.644
local terms energy: -293.228490
where:
bonds (distance) C4'-P energy: -54.302
bonds (distance) P-C4' energy: -51.193
flat angles C4'-P-C4' energy: -59.891
flat angles P-C4'-P energy: -42.274
tors. eta vs tors. theta energy: -85.568
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: 6
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -856.657118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.657118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.657118 (E_RNA)
where:
Base-Base interactions energy: -580.589
where: short stacking energy: -259.529
Base-Backbone interact. energy: 0.361
local terms energy: -276.428680
where:
bonds (distance) C4'-P energy: -43.019
bonds (distance) P-C4' energy: -57.170
flat angles C4'-P-C4' energy: -55.421
flat angles P-C4'-P energy: -39.410
tors. eta vs tors. theta energy: -81.408
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: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -849.086741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.086741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.086741 (E_RNA)
where:
Base-Base interactions energy: -587.880
where: short stacking energy: -262.269
Base-Backbone interact. energy: -0.639
local terms energy: -260.567589
where:
bonds (distance) C4'-P energy: -39.556
bonds (distance) P-C4' energy: -49.670
flat angles C4'-P-C4' energy: -61.235
flat angles P-C4'-P energy: -30.661
tors. eta vs tors. theta energy: -79.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -800.244375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.244375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.244375 (E_RNA)
where:
Base-Base interactions energy: -559.958
where: short stacking energy: -229.403
Base-Backbone interact. energy: -0.291
local terms energy: -239.994796
where:
bonds (distance) C4'-P energy: -54.794
bonds (distance) P-C4' energy: -44.764
flat angles C4'-P-C4' energy: -52.681
flat angles P-C4'-P energy: -22.771
tors. eta vs tors. theta energy: -64.985
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: 4
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -690.235126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.235126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.235126 (E_RNA)
where:
Base-Base interactions energy: -467.314
where: short stacking energy: -202.972
Base-Backbone interact. energy: 0.814
local terms energy: -223.735146
where:
bonds (distance) C4'-P energy: -34.360
bonds (distance) P-C4' energy: -55.665
flat angles C4'-P-C4' energy: -45.883
flat angles P-C4'-P energy: -28.488
tors. eta vs tors. theta energy: -59.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -716.328023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.328023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.328023 (E_RNA)
where:
Base-Base interactions energy: -516.700
where: short stacking energy: -209.409
Base-Backbone interact. energy: -0.130
local terms energy: -199.498317
where:
bonds (distance) C4'-P energy: -25.064
bonds (distance) P-C4' energy: -36.484
flat angles C4'-P-C4' energy: -50.590
flat angles P-C4'-P energy: -41.530
tors. eta vs tors. theta energy: -45.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -661.295187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.295187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.295187 (E_RNA)
where:
Base-Base interactions energy: -452.901
where: short stacking energy: -186.400
Base-Backbone interact. energy: -0.811
local terms energy: -207.582769
where:
bonds (distance) C4'-P energy: -51.231
bonds (distance) P-C4' energy: -39.642
flat angles C4'-P-C4' energy: -45.981
flat angles P-C4'-P energy: -26.105
tors. eta vs tors. theta energy: -44.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -551.749719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.749719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.749719 (E_RNA)
where:
Base-Base interactions energy: -359.680
where: short stacking energy: -153.072
Base-Backbone interact. energy: -0.641
local terms energy: -191.428216
where:
bonds (distance) C4'-P energy: -34.871
bonds (distance) P-C4' energy: -44.825
flat angles C4'-P-C4' energy: -48.663
flat angles P-C4'-P energy: -31.836
tors. eta vs tors. theta energy: -31.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -395.159841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.159841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.159841 (E_RNA)
where:
Base-Base interactions energy: -223.437
where: short stacking energy: -105.593
Base-Backbone interact. energy: -0.564
local terms energy: -171.158372
where:
bonds (distance) C4'-P energy: -42.686
bonds (distance) P-C4' energy: -42.517
flat angles C4'-P-C4' energy: -37.533
flat angles P-C4'-P energy: -32.107
tors. eta vs tors. theta energy: -16.316
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: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -968.494212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.494212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.494212 (E_RNA)
where:
Base-Base interactions energy: -678.572
where: short stacking energy: -307.425
Base-Backbone interact. energy: 0.014
local terms energy: -289.936323
where:
bonds (distance) C4'-P energy: -49.174
bonds (distance) P-C4' energy: -51.502
flat angles C4'-P-C4' energy: -64.200
flat angles P-C4'-P energy: -33.626
tors. eta vs tors. theta energy: -91.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -932.467775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.467775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.467775 (E_RNA)
where:
Base-Base interactions energy: -662.165
where: short stacking energy: -280.785
Base-Backbone interact. energy: 1.886
local terms energy: -272.188506
where:
bonds (distance) C4'-P energy: -48.977
bonds (distance) P-C4' energy: -44.250
flat angles C4'-P-C4' energy: -56.599
flat angles P-C4'-P energy: -39.803
tors. eta vs tors. theta energy: -82.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -859.593563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.593563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.593563 (E_RNA)
where:
Base-Base interactions energy: -593.844
where: short stacking energy: -267.346
Base-Backbone interact. energy: -0.474
local terms energy: -265.275655
where:
bonds (distance) C4'-P energy: -37.288
bonds (distance) P-C4' energy: -46.762
flat angles C4'-P-C4' energy: -64.783
flat angles P-C4'-P energy: -43.798
tors. eta vs tors. theta energy: -72.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -848.412915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.412915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.412915 (E_RNA)
where:
Base-Base interactions energy: -577.989
where: short stacking energy: -257.522
Base-Backbone interact. energy: 1.370
local terms energy: -271.793581
where:
bonds (distance) C4'-P energy: -40.281
bonds (distance) P-C4' energy: -55.145
flat angles C4'-P-C4' energy: -57.433
flat angles P-C4'-P energy: -38.642
tors. eta vs tors. theta energy: -80.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -801.996234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.996234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.996234 (E_RNA)
where:
Base-Base interactions energy: -559.198
where: short stacking energy: -229.494
Base-Backbone interact. energy: -0.617
local terms energy: -242.180614
where:
bonds (distance) C4'-P energy: -39.196
bonds (distance) P-C4' energy: -51.155
flat angles C4'-P-C4' energy: -53.276
flat angles P-C4'-P energy: -37.108
tors. eta vs tors. theta energy: -61.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -721.197872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.197872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.197872 (E_RNA)
where:
Base-Base interactions energy: -479.894
where: short stacking energy: -219.729
Base-Backbone interact. energy: -0.427
local terms energy: -240.877121
where:
bonds (distance) C4'-P energy: -48.967
bonds (distance) P-C4' energy: -43.231
flat angles C4'-P-C4' energy: -58.512
flat angles P-C4'-P energy: -29.376
tors. eta vs tors. theta energy: -60.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -730.315311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.315311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.315311 (E_RNA)
where:
Base-Base interactions energy: -504.782
where: short stacking energy: -194.569
Base-Backbone interact. energy: -2.045
local terms energy: -223.488264
where:
bonds (distance) C4'-P energy: -38.295
bonds (distance) P-C4' energy: -53.010
flat angles C4'-P-C4' energy: -56.241
flat angles P-C4'-P energy: -28.661
tors. eta vs tors. theta energy: -47.282
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: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -659.311208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.311208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.311208 (E_RNA)
where:
Base-Base interactions energy: -439.615
where: short stacking energy: -183.447
Base-Backbone interact. energy: 0.376
local terms energy: -220.072003
where:
bonds (distance) C4'-P energy: -56.337
bonds (distance) P-C4' energy: -46.321
flat angles C4'-P-C4' energy: -56.627
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -49.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -527.951955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.951955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.951955 (E_RNA)
where:
Base-Base interactions energy: -349.586
where: short stacking energy: -154.487
Base-Backbone interact. energy: 2.642
local terms energy: -181.007699
where:
bonds (distance) C4'-P energy: -42.272
bonds (distance) P-C4' energy: -41.541
flat angles C4'-P-C4' energy: -39.392
flat angles P-C4'-P energy: -21.995
tors. eta vs tors. theta energy: -35.809
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: 346
Temperature: 1.350000
Total energy: -374.569248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.569248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.569248 (E_RNA)
where:
Base-Base interactions energy: -207.728
where: short stacking energy: -121.462
Base-Backbone interact. energy: 0.033
local terms energy: -166.873725
where:
bonds (distance) C4'-P energy: -52.725
bonds (distance) P-C4' energy: -52.786
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -27.104
tors. eta vs tors. theta energy: -9.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -972.741651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.741651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.741651 (E_RNA)
where:
Base-Base interactions energy: -658.963
where: short stacking energy: -297.133
Base-Backbone interact. energy: -1.531
local terms energy: -312.248219
where:
bonds (distance) C4'-P energy: -59.749
bonds (distance) P-C4' energy: -59.039
flat angles C4'-P-C4' energy: -62.395
flat angles P-C4'-P energy: -41.136
tors. eta vs tors. theta energy: -89.930
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: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -919.456271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.456271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.456271 (E_RNA)
where:
Base-Base interactions energy: -629.693
where: short stacking energy: -268.738
Base-Backbone interact. energy: -1.139
local terms energy: -288.625067
where:
bonds (distance) C4'-P energy: -49.935
bonds (distance) P-C4' energy: -54.708
flat angles C4'-P-C4' energy: -60.663
flat angles P-C4'-P energy: -44.529
tors. eta vs tors. theta energy: -78.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -887.958439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.958439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.958439 (E_RNA)
where:
Base-Base interactions energy: -609.918
where: short stacking energy: -280.072
Base-Backbone interact. energy: -0.673
local terms energy: -277.367137
where:
bonds (distance) C4'-P energy: -47.677
bonds (distance) P-C4' energy: -54.900
flat angles C4'-P-C4' energy: -53.656
flat angles P-C4'-P energy: -36.960
tors. eta vs tors. theta energy: -84.173
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: 4, replica: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -845.898864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.898864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.898864 (E_RNA)
where:
Base-Base interactions energy: -591.790
where: short stacking energy: -257.319
Base-Backbone interact. energy: -1.050
local terms energy: -253.059159
where:
bonds (distance) C4'-P energy: -46.873
bonds (distance) P-C4' energy: -42.671
flat angles C4'-P-C4' energy: -56.656
flat angles P-C4'-P energy: -33.895
tors. eta vs tors. theta energy: -72.964
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: 9
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -798.132607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.132607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.132607 (E_RNA)
where:
Base-Base interactions energy: -541.691
where: short stacking energy: -226.640
Base-Backbone interact. energy: 1.651
local terms energy: -258.092545
where:
bonds (distance) C4'-P energy: -50.477
bonds (distance) P-C4' energy: -48.838
flat angles C4'-P-C4' energy: -52.628
flat angles P-C4'-P energy: -39.695
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: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -722.213024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.213024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.213024 (E_RNA)
where:
Base-Base interactions energy: -480.349
where: short stacking energy: -202.363
Base-Backbone interact. energy: -0.556
local terms energy: -241.308529
where:
bonds (distance) C4'-P energy: -49.057
bonds (distance) P-C4' energy: -39.554
flat angles C4'-P-C4' energy: -53.311
flat angles P-C4'-P energy: -38.263
tors. eta vs tors. theta energy: -61.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -734.448095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.448095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.448095 (E_RNA)
where:
Base-Base interactions energy: -519.859
where: short stacking energy: -205.871
Base-Backbone interact. energy: 0.787
local terms energy: -215.376412
where:
bonds (distance) C4'-P energy: -46.377
bonds (distance) P-C4' energy: -46.237
flat angles C4'-P-C4' energy: -43.588
flat angles P-C4'-P energy: -27.547
tors. eta vs tors. theta energy: -51.627
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: 347
Temperature: 1.250000
Total energy: -656.561008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.561008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.561008 (E_RNA)
where:
Base-Base interactions energy: -451.780
where: short stacking energy: -185.458
Base-Backbone interact. energy: -0.787
local terms energy: -203.994740
where:
bonds (distance) C4'-P energy: -41.105
bonds (distance) P-C4' energy: -46.254
flat angles C4'-P-C4' energy: -41.691
flat angles P-C4'-P energy: -21.771
tors. eta vs tors. theta energy: -53.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -540.131870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.131870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.131870 (E_RNA)
where:
Base-Base interactions energy: -339.905
where: short stacking energy: -135.833
Base-Backbone interact. energy: 0.414
local terms energy: -200.640980
where:
bonds (distance) C4'-P energy: -36.237
bonds (distance) P-C4' energy: -53.559
flat angles C4'-P-C4' energy: -53.871
flat angles P-C4'-P energy: -30.721
tors. eta vs tors. theta energy: -26.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -367.451407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.451407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.451407 (E_RNA)
where:
Base-Base interactions energy: -219.972
where: short stacking energy: -116.361
Base-Backbone interact. energy: -0.621
local terms energy: -146.857612
where:
bonds (distance) C4'-P energy: -28.414
bonds (distance) P-C4' energy: -42.650
flat angles C4'-P-C4' energy: -41.868
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -19.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -956.144528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.144528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.144528 (E_RNA)
where:
Base-Base interactions energy: -662.459
where: short stacking energy: -302.044
Base-Backbone interact. energy: -1.237
local terms energy: -292.447918
where:
bonds (distance) C4'-P energy: -41.623
bonds (distance) P-C4' energy: -53.475
flat angles C4'-P-C4' energy: -65.607
flat angles P-C4'-P energy: -42.414
tors. eta vs tors. theta energy: -89.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -933.474425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.474425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.474425 (E_RNA)
where:
Base-Base interactions energy: -650.934
where: short stacking energy: -286.602
Base-Backbone interact. energy: -0.135
local terms energy: -282.405136
where:
bonds (distance) C4'-P energy: -51.611
bonds (distance) P-C4' energy: -54.204
flat angles C4'-P-C4' energy: -61.185
flat angles P-C4'-P energy: -38.601
tors. eta vs tors. theta energy: -76.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -881.917147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.917147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.917147 (E_RNA)
where:
Base-Base interactions energy: -602.451
where: short stacking energy: -282.164
Base-Backbone interact. energy: -0.213
local terms energy: -279.252929
where:
bonds (distance) C4'-P energy: -50.998
bonds (distance) P-C4' energy: -43.654
flat angles C4'-P-C4' energy: -57.638
flat angles P-C4'-P energy: -44.527
tors. eta vs tors. theta energy: -82.436
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: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -850.379643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.379643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.379643 (E_RNA)
where:
Base-Base interactions energy: -596.812
where: short stacking energy: -264.968
Base-Backbone interact. energy: 0.214
local terms energy: -253.781644
where:
bonds (distance) C4'-P energy: -51.229
bonds (distance) P-C4' energy: -52.186
flat angles C4'-P-C4' energy: -47.359
flat angles P-C4'-P energy: -27.146
tors. eta vs tors. theta energy: -75.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -830.726396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.726396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.726396 (E_RNA)
where:
Base-Base interactions energy: -571.609
where: short stacking energy: -251.861
Base-Backbone interact. energy: -0.622
local terms energy: -258.495499
where:
bonds (distance) C4'-P energy: -44.077
bonds (distance) P-C4' energy: -41.439
flat angles C4'-P-C4' energy: -58.807
flat angles P-C4'-P energy: -40.317
tors. eta vs tors. theta energy: -73.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -699.176798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.176798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.176798 (E_RNA)
where:
Base-Base interactions energy: -474.411
where: short stacking energy: -205.117
Base-Backbone interact. energy: -0.462
local terms energy: -224.303411
where:
bonds (distance) C4'-P energy: -34.538
bonds (distance) P-C4' energy: -49.084
flat angles C4'-P-C4' energy: -49.726
flat angles P-C4'-P energy: -31.866
tors. eta vs tors. theta energy: -59.090
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: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -736.807482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.807482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.807482 (E_RNA)
where:
Base-Base interactions energy: -518.695
where: short stacking energy: -209.266
Base-Backbone interact. energy: -0.427
local terms energy: -217.685326
where:
bonds (distance) C4'-P energy: -42.030
bonds (distance) P-C4' energy: -52.268
flat angles C4'-P-C4' energy: -38.902
flat angles P-C4'-P energy: -30.984
tors. eta vs tors. theta energy: -53.502
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: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -678.620335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.620335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.620335 (E_RNA)
where:
Base-Base interactions energy: -468.446
where: short stacking energy: -195.396
Base-Backbone interact. energy: -1.420
local terms energy: -208.753608
where:
bonds (distance) C4'-P energy: -48.278
bonds (distance) P-C4' energy: -39.996
flat angles C4'-P-C4' energy: -42.422
flat angles P-C4'-P energy: -28.132
tors. eta vs tors. theta energy: -49.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -573.356425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.356425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.356425 (E_RNA)
where:
Base-Base interactions energy: -387.693
where: short stacking energy: -149.561
Base-Backbone interact. energy: 0.146
local terms energy: -185.809250
where:
bonds (distance) C4'-P energy: -39.901
bonds (distance) P-C4' energy: -42.903
flat angles C4'-P-C4' energy: -46.847
flat angles P-C4'-P energy: -34.328
tors. eta vs tors. theta energy: -21.829
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: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -395.185857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.185857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.185857 (E_RNA)
where:
Base-Base interactions energy: -235.003
where: short stacking energy: -114.042
Base-Backbone interact. energy: -1.545
local terms energy: -158.638162
where:
bonds (distance) C4'-P energy: -41.852
bonds (distance) P-C4' energy: -43.477
flat angles C4'-P-C4' energy: -38.650
flat angles P-C4'-P energy: -21.531
tors. eta vs tors. theta energy: -13.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -950.264960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.264960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.264960 (E_RNA)
where:
Base-Base interactions energy: -658.131
where: short stacking energy: -301.193
Base-Backbone interact. energy: 0.269
local terms energy: -292.403441
where:
bonds (distance) C4'-P energy: -48.074
bonds (distance) P-C4' energy: -57.202
flat angles C4'-P-C4' energy: -54.346
flat angles P-C4'-P energy: -45.455
tors. eta vs tors. theta energy: -87.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -919.587147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.587147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.587147 (E_RNA)
where:
Base-Base interactions energy: -643.018
where: short stacking energy: -276.438
Base-Backbone interact. energy: -2.050
local terms energy: -274.519244
where:
bonds (distance) C4'-P energy: -47.893
bonds (distance) P-C4' energy: -53.441
flat angles C4'-P-C4' energy: -55.662
flat angles P-C4'-P energy: -36.653
tors. eta vs tors. theta energy: -80.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -851.259967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.259967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.259967 (E_RNA)
where:
Base-Base interactions energy: -573.818
where: short stacking energy: -260.422
Base-Backbone interact. energy: -0.345
local terms energy: -277.097175
where:
bonds (distance) C4'-P energy: -47.133
bonds (distance) P-C4' energy: -45.471
flat angles C4'-P-C4' energy: -57.404
flat angles P-C4'-P energy: -46.907
tors. eta vs tors. theta energy: -80.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -861.286340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.286340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.286340 (E_RNA)
where:
Base-Base interactions energy: -586.919
where: short stacking energy: -253.639
Base-Backbone interact. energy: -1.971
local terms energy: -272.396279
where:
bonds (distance) C4'-P energy: -50.708
bonds (distance) P-C4' energy: -54.247
flat angles C4'-P-C4' energy: -52.899
flat angles P-C4'-P energy: -40.396
tors. eta vs tors. theta energy: -74.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -836.567907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.567907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.567907 (E_RNA)
where:
Base-Base interactions energy: -568.554
where: short stacking energy: -249.439
Base-Backbone interact. energy: 0.275
local terms energy: -268.288703
where:
bonds (distance) C4'-P energy: -49.485
bonds (distance) P-C4' energy: -44.009
flat angles C4'-P-C4' energy: -57.456
flat angles P-C4'-P energy: -41.451
tors. eta vs tors. theta energy: -75.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -734.988188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.988188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.988188 (E_RNA)
where:
Base-Base interactions energy: -488.602
where: short stacking energy: -229.629
Base-Backbone interact. energy: -0.485
local terms energy: -245.901669
where:
bonds (distance) C4'-P energy: -43.853
bonds (distance) P-C4' energy: -49.744
flat angles C4'-P-C4' energy: -55.649
flat angles P-C4'-P energy: -32.617
tors. eta vs tors. theta energy: -64.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -743.990200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.990200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.990200 (E_RNA)
where:
Base-Base interactions energy: -502.504
where: short stacking energy: -207.284
Base-Backbone interact. energy: 0.334
local terms energy: -241.819555
where:
bonds (distance) C4'-P energy: -55.673
bonds (distance) P-C4' energy: -52.006
flat angles C4'-P-C4' energy: -52.770
flat angles P-C4'-P energy: -32.900
tors. eta vs tors. theta energy: -48.471
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: 349
Temperature: 1.250000
Total energy: -591.071387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.071387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.071387 (E_RNA)
where:
Base-Base interactions energy: -380.311
where: short stacking energy: -172.513
Base-Backbone interact. energy: -0.440
local terms energy: -210.320770
where:
bonds (distance) C4'-P energy: -50.982
bonds (distance) P-C4' energy: -47.394
flat angles C4'-P-C4' energy: -40.806
flat angles P-C4'-P energy: -27.704
tors. eta vs tors. theta energy: -43.435
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: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -645.388712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.388712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.388712 (E_RNA)
where:
Base-Base interactions energy: -449.875
where: short stacking energy: -189.265
Base-Backbone interact. energy: -1.132
local terms energy: -194.381977
where:
bonds (distance) C4'-P energy: -46.057
bonds (distance) P-C4' energy: -34.002
flat angles C4'-P-C4' energy: -37.077
flat angles P-C4'-P energy: -24.711
tors. eta vs tors. theta energy: -52.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -405.067780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.067780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.067780 (E_RNA)
where:
Base-Base interactions energy: -217.890
where: short stacking energy: -108.194
Base-Backbone interact. energy: 0.419
local terms energy: -187.596290
where:
bonds (distance) C4'-P energy: -46.801
bonds (distance) P-C4' energy: -52.148
flat angles C4'-P-C4' energy: -40.740
flat angles P-C4'-P energy: -31.105
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -959.367730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.367730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.367730 (E_RNA)
where:
Base-Base interactions energy: -659.746
where: short stacking energy: -288.494
Base-Backbone interact. energy: -1.034
local terms energy: -298.587955
where:
bonds (distance) C4'-P energy: -47.617
bonds (distance) P-C4' energy: -61.247
flat angles C4'-P-C4' energy: -63.118
flat angles P-C4'-P energy: -38.300
tors. eta vs tors. theta energy: -88.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -921.396502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.396502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.396502 (E_RNA)
where:
Base-Base interactions energy: -623.058
where: short stacking energy: -282.473
Base-Backbone interact. energy: -1.420
local terms energy: -296.917823
where:
bonds (distance) C4'-P energy: -54.280
bonds (distance) P-C4' energy: -54.732
flat angles C4'-P-C4' energy: -66.624
flat angles P-C4'-P energy: -39.647
tors. eta vs tors. theta energy: -81.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -874.800319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.800319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.800319 (E_RNA)
where:
Base-Base interactions energy: -596.422
where: short stacking energy: -269.500
Base-Backbone interact. energy: -0.104
local terms energy: -278.274584
where:
bonds (distance) C4'-P energy: -50.283
bonds (distance) P-C4' energy: -50.489
flat angles C4'-P-C4' energy: -58.565
flat angles P-C4'-P energy: -40.977
tors. eta vs tors. theta energy: -77.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -849.155929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.155929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.155929 (E_RNA)
where:
Base-Base interactions energy: -579.890
where: short stacking energy: -249.886
Base-Backbone interact. energy: -0.783
local terms energy: -268.482235
where:
bonds (distance) C4'-P energy: -48.101
bonds (distance) P-C4' energy: -54.443
flat angles C4'-P-C4' energy: -58.974
flat angles P-C4'-P energy: -35.509
tors. eta vs tors. theta energy: -71.455
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: 350
Temperature: 1.100000
Total energy: -831.206986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.206986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.206986 (E_RNA)
where:
Base-Base interactions energy: -573.492
where: short stacking energy: -249.286
Base-Backbone interact. energy: -0.553
local terms energy: -257.162248
where:
bonds (distance) C4'-P energy: -41.074
bonds (distance) P-C4' energy: -50.711
flat angles C4'-P-C4' energy: -57.135
flat angles P-C4'-P energy: -39.955
tors. eta vs tors. theta energy: -68.287
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: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -719.377862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.377862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.377862 (E_RNA)
where:
Base-Base interactions energy: -486.231
where: short stacking energy: -215.417
Base-Backbone interact. energy: -1.564
local terms energy: -231.582785
where:
bonds (distance) C4'-P energy: -50.004
bonds (distance) P-C4' energy: -34.568
flat angles C4'-P-C4' energy: -44.105
flat angles P-C4'-P energy: -40.680
tors. eta vs tors. theta energy: -62.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -633.408408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.408408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.408408 (E_RNA)
where:
Base-Base interactions energy: -424.538
where: short stacking energy: -176.055
Base-Backbone interact. energy: -0.932
local terms energy: -207.938745
where:
bonds (distance) C4'-P energy: -52.198
bonds (distance) P-C4' energy: -49.499
flat angles C4'-P-C4' energy: -41.549
flat angles P-C4'-P energy: -26.059
tors. eta vs tors. theta energy: -38.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -708.988154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.988154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.988154 (E_RNA)
where:
Base-Base interactions energy: -494.159
where: short stacking energy: -194.163
Base-Backbone interact. energy: -0.976
local terms energy: -213.852800
where:
bonds (distance) C4'-P energy: -39.625
bonds (distance) P-C4' energy: -55.422
flat angles C4'-P-C4' energy: -42.828
flat angles P-C4'-P energy: -25.325
tors. eta vs tors. theta energy: -50.652
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: 9, replica: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -607.014866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.014866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.014866 (E_RNA)
where:
Base-Base interactions energy: -398.132
where: short stacking energy: -168.118
Base-Backbone interact. energy: 0.109
local terms energy: -208.992450
where:
bonds (distance) C4'-P energy: -51.603
bonds (distance) P-C4' energy: -37.898
flat angles C4'-P-C4' energy: -49.741
flat angles P-C4'-P energy: -22.095
tors. eta vs tors. theta energy: -47.656
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: 350
Temperature: 1.350000
Total energy: -361.010914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.010914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.010914 (E_RNA)
where:
Base-Base interactions energy: -184.706
where: short stacking energy: -84.508
Base-Backbone interact. energy: -0.805
local terms energy: -175.499642
where:
bonds (distance) C4'-P energy: -38.753
bonds (distance) P-C4' energy: -48.196
flat angles C4'-P-C4' energy: -49.887
flat angles P-C4'-P energy: -30.144
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -960.336933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.336933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.336933 (E_RNA)
where:
Base-Base interactions energy: -661.572
where: short stacking energy: -300.958
Base-Backbone interact. energy: 0.135
local terms energy: -298.899483
where:
bonds (distance) C4'-P energy: -49.831
bonds (distance) P-C4' energy: -58.286
flat angles C4'-P-C4' energy: -66.042
flat angles P-C4'-P energy: -41.207
tors. eta vs tors. theta energy: -83.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -931.058766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.058766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.058766 (E_RNA)
where:
Base-Base interactions energy: -653.393
where: short stacking energy: -283.219
Base-Backbone interact. energy: -0.728
local terms energy: -276.937219
where:
bonds (distance) C4'-P energy: -37.901
bonds (distance) P-C4' energy: -56.103
flat angles C4'-P-C4' energy: -57.492
flat angles P-C4'-P energy: -40.183
tors. eta vs tors. theta energy: -85.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -874.622854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.622854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.622854 (E_RNA)
where:
Base-Base interactions energy: -589.079
where: short stacking energy: -251.072
Base-Backbone interact. energy: -1.088
local terms energy: -284.456559
where:
bonds (distance) C4'-P energy: -58.498
bonds (distance) P-C4' energy: -47.288
flat angles C4'-P-C4' energy: -62.112
flat angles P-C4'-P energy: -36.398
tors. eta vs tors. theta energy: -80.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -844.194363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.194363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.194363 (E_RNA)
where:
Base-Base interactions energy: -576.020
where: short stacking energy: -255.416
Base-Backbone interact. energy: -0.021
local terms energy: -268.153200
where:
bonds (distance) C4'-P energy: -42.951
bonds (distance) P-C4' energy: -47.591
flat angles C4'-P-C4' energy: -55.014
flat angles P-C4'-P energy: -43.764
tors. eta vs tors. theta energy: -78.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -811.491185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.491185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.491185 (E_RNA)
where:
Base-Base interactions energy: -549.222
where: short stacking energy: -230.115
Base-Backbone interact. energy: -0.709
local terms energy: -261.560287
where:
bonds (distance) C4'-P energy: -48.432
bonds (distance) P-C4' energy: -45.490
flat angles C4'-P-C4' energy: -52.597
flat angles P-C4'-P energy: -44.619
tors. eta vs tors. theta energy: -70.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -639.249922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.249922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.249922 (E_RNA)
where:
Base-Base interactions energy: -422.495
where: short stacking energy: -181.911
Base-Backbone interact. energy: -1.024
local terms energy: -215.731428
where:
bonds (distance) C4'-P energy: -43.392
bonds (distance) P-C4' energy: -52.173
flat angles C4'-P-C4' energy: -42.689
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: -43.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -705.244447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.244447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.244447 (E_RNA)
where:
Base-Base interactions energy: -479.752
where: short stacking energy: -214.466
Base-Backbone interact. energy: -0.718
local terms energy: -224.774120
where:
bonds (distance) C4'-P energy: -46.274
bonds (distance) P-C4' energy: -41.426
flat angles C4'-P-C4' energy: -49.800
flat angles P-C4'-P energy: -29.812
tors. eta vs tors. theta energy: -57.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -706.596954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.596954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.596954 (E_RNA)
where:
Base-Base interactions energy: -476.037
where: short stacking energy: -182.834
Base-Backbone interact. energy: -0.323
local terms energy: -230.237396
where:
bonds (distance) C4'-P energy: -39.007
bonds (distance) P-C4' energy: -54.175
flat angles C4'-P-C4' energy: -50.483
flat angles P-C4'-P energy: -35.183
tors. eta vs tors. theta energy: -51.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -613.238464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.238464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.238464 (E_RNA)
where:
Base-Base interactions energy: -438.816
where: short stacking energy: -176.300
Base-Backbone interact. energy: 2.654
local terms energy: -177.076322
where:
bonds (distance) C4'-P energy: -29.098
bonds (distance) P-C4' energy: -41.921
flat angles C4'-P-C4' energy: -38.384
flat angles P-C4'-P energy: -26.182
tors. eta vs tors. theta energy: -41.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -361.245704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.245704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.245704 (E_RNA)
where:
Base-Base interactions energy: -181.240
where: short stacking energy: -93.525
Base-Backbone interact. energy: 1.797
local terms energy: -181.803397
where:
bonds (distance) C4'-P energy: -49.759
bonds (distance) P-C4' energy: -41.024
flat angles C4'-P-C4' energy: -39.260
flat angles P-C4'-P energy: -35.970
tors. eta vs tors. theta energy: -15.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -947.453288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.453288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.453288 (E_RNA)
where:
Base-Base interactions energy: -658.579
where: short stacking energy: -284.579
Base-Backbone interact. energy: -0.356
local terms energy: -288.518749
where:
bonds (distance) C4'-P energy: -44.603
bonds (distance) P-C4' energy: -58.259
flat angles C4'-P-C4' energy: -61.399
flat angles P-C4'-P energy: -39.141
tors. eta vs tors. theta energy: -85.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -919.532324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.532324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.532324 (E_RNA)
where:
Base-Base interactions energy: -634.674
where: short stacking energy: -284.693
Base-Backbone interact. energy: -1.324
local terms energy: -283.534245
where:
bonds (distance) C4'-P energy: -42.601
bonds (distance) P-C4' energy: -55.040
flat angles C4'-P-C4' energy: -60.289
flat angles P-C4'-P energy: -42.459
tors. eta vs tors. theta energy: -83.147
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: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -873.150482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.150482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.150482 (E_RNA)
where:
Base-Base interactions energy: -598.476
where: short stacking energy: -258.070
Base-Backbone interact. energy: -1.097
local terms energy: -273.577771
where:
bonds (distance) C4'-P energy: -40.862
bonds (distance) P-C4' energy: -60.293
flat angles C4'-P-C4' energy: -59.688
flat angles P-C4'-P energy: -35.079
tors. eta vs tors. theta energy: -77.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -842.877247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.877247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.877247 (E_RNA)
where:
Base-Base interactions energy: -580.332
where: short stacking energy: -252.218
Base-Backbone interact. energy: -0.854
local terms energy: -261.691101
where:
bonds (distance) C4'-P energy: -46.452
bonds (distance) P-C4' energy: -46.362
flat angles C4'-P-C4' energy: -57.561
flat angles P-C4'-P energy: -40.330
tors. eta vs tors. theta energy: -70.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -810.202092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.202092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.202092 (E_RNA)
where:
Base-Base interactions energy: -546.918
where: short stacking energy: -232.964
Base-Backbone interact. energy: 0.205
local terms energy: -263.489012
where:
bonds (distance) C4'-P energy: -56.103
bonds (distance) P-C4' energy: -49.583
flat angles C4'-P-C4' energy: -57.494
flat angles P-C4'-P energy: -35.670
tors. eta vs tors. theta energy: -64.638
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: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -638.274811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.274811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.274811 (E_RNA)
where:
Base-Base interactions energy: -422.493
where: short stacking energy: -189.468
Base-Backbone interact. energy: 1.527
local terms energy: -217.308770
where:
bonds (distance) C4'-P energy: -44.746
bonds (distance) P-C4' energy: -53.793
flat angles C4'-P-C4' energy: -47.020
flat angles P-C4'-P energy: -30.529
tors. eta vs tors. theta energy: -41.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -721.432243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.432243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.432243 (E_RNA)
where:
Base-Base interactions energy: -493.140
where: short stacking energy: -185.656
Base-Backbone interact. energy: 0.092
local terms energy: -228.383704
where:
bonds (distance) C4'-P energy: -50.321
bonds (distance) P-C4' energy: -49.984
flat angles C4'-P-C4' energy: -39.031
flat angles P-C4'-P energy: -35.810
tors. eta vs tors. theta energy: -53.238
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: 4
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -668.517751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.517751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.517751 (E_RNA)
where:
Base-Base interactions energy: -439.388
where: short stacking energy: -189.192
Base-Backbone interact. energy: 1.087
local terms energy: -230.216569
where:
bonds (distance) C4'-P energy: -42.052
bonds (distance) P-C4' energy: -51.816
flat angles C4'-P-C4' energy: -44.442
flat angles P-C4'-P energy: -33.205
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: 9, replica: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -605.921096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.921096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.921096 (E_RNA)
where:
Base-Base interactions energy: -398.353
where: short stacking energy: -165.511
Base-Backbone interact. energy: -0.465
local terms energy: -207.103446
where:
bonds (distance) C4'-P energy: -41.188
bonds (distance) P-C4' energy: -45.506
flat angles C4'-P-C4' energy: -43.543
flat angles P-C4'-P energy: -29.341
tors. eta vs tors. theta energy: -47.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -362.662528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.662528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.662528 (E_RNA)
where:
Base-Base interactions energy: -188.139
where: short stacking energy: -109.093
Base-Backbone interact. energy: -0.031
local terms energy: -174.491968
where:
bonds (distance) C4'-P energy: -37.063
bonds (distance) P-C4' energy: -48.545
flat angles C4'-P-C4' energy: -37.374
flat angles P-C4'-P energy: -30.216
tors. eta vs tors. theta energy: -21.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -939.194927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.194927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.194927 (E_RNA)
where:
Base-Base interactions energy: -652.608
where: short stacking energy: -281.610
Base-Backbone interact. energy: 0.895
local terms energy: -287.481596
where:
bonds (distance) C4'-P energy: -49.289
bonds (distance) P-C4' energy: -55.011
flat angles C4'-P-C4' energy: -58.914
flat angles P-C4'-P energy: -42.645
tors. eta vs tors. theta energy: -81.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -947.770630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.770630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.770630 (E_RNA)
where:
Base-Base interactions energy: -662.076
where: short stacking energy: -278.628
Base-Backbone interact. energy: 0.975
local terms energy: -286.669185
where:
bonds (distance) C4'-P energy: -47.631
bonds (distance) P-C4' energy: -58.394
flat angles C4'-P-C4' energy: -62.230
flat angles P-C4'-P energy: -34.268
tors. eta vs tors. theta energy: -84.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -861.286686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.286686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.286686 (E_RNA)
where:
Base-Base interactions energy: -601.647
where: short stacking energy: -267.641
Base-Backbone interact. energy: -0.254
local terms energy: -259.385481
where:
bonds (distance) C4'-P energy: -48.859
bonds (distance) P-C4' energy: -34.808
flat angles C4'-P-C4' energy: -55.513
flat angles P-C4'-P energy: -43.520
tors. eta vs tors. theta energy: -76.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -835.871960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.871960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.871960 (E_RNA)
where:
Base-Base interactions energy: -574.216
where: short stacking energy: -263.108
Base-Backbone interact. energy: -0.746
local terms energy: -260.909443
where:
bonds (distance) C4'-P energy: -50.654
bonds (distance) P-C4' energy: -45.429
flat angles C4'-P-C4' energy: -50.101
flat angles P-C4'-P energy: -34.909
tors. eta vs tors. theta energy: -79.817
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: 2
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -810.287461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.287461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.287461 (E_RNA)
where:
Base-Base interactions energy: -544.930
where: short stacking energy: -211.254
Base-Backbone interact. energy: 1.646
local terms energy: -267.003997
where:
bonds (distance) C4'-P energy: -52.469
bonds (distance) P-C4' energy: -55.436
flat angles C4'-P-C4' energy: -56.530
flat angles P-C4'-P energy: -41.266
tors. eta vs tors. theta energy: -61.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -760.439073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.439073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.439073 (E_RNA)
where:
Base-Base interactions energy: -534.251
where: short stacking energy: -213.888
Base-Backbone interact. energy: 3.001
local terms energy: -229.188872
where:
bonds (distance) C4'-P energy: -37.190
bonds (distance) P-C4' energy: -44.298
flat angles C4'-P-C4' energy: -56.572
flat angles P-C4'-P energy: -38.687
tors. eta vs tors. theta energy: -52.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -625.466043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.466043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.466043 (E_RNA)
where:
Base-Base interactions energy: -413.569
where: short stacking energy: -171.788
Base-Backbone interact. energy: 2.474
local terms energy: -214.371534
where:
bonds (distance) C4'-P energy: -41.370
bonds (distance) P-C4' energy: -43.348
flat angles C4'-P-C4' energy: -52.841
flat angles P-C4'-P energy: -33.873
tors. eta vs tors. theta energy: -42.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -635.809328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.809328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.809328 (E_RNA)
where:
Base-Base interactions energy: -422.833
where: short stacking energy: -189.904
Base-Backbone interact. energy: 0.462
local terms energy: -213.438089
where:
bonds (distance) C4'-P energy: -47.997
bonds (distance) P-C4' energy: -46.668
flat angles C4'-P-C4' energy: -40.188
flat angles P-C4'-P energy: -32.003
tors. eta vs tors. theta energy: -46.581
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: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -668.559455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.559455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.559455 (E_RNA)
where:
Base-Base interactions energy: -437.641
where: short stacking energy: -191.457
Base-Backbone interact. energy: -0.700
local terms energy: -230.218638
where:
bonds (distance) C4'-P energy: -47.368
bonds (distance) P-C4' energy: -50.334
flat angles C4'-P-C4' energy: -44.077
flat angles P-C4'-P energy: -34.626
tors. eta vs tors. theta energy: -53.814
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: 353
Temperature: 1.350000
Total energy: -353.992863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.992863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.992863 (E_RNA)
where:
Base-Base interactions energy: -189.957
where: short stacking energy: -105.257
Base-Backbone interact. energy: -2.492
local terms energy: -161.543689
where:
bonds (distance) C4'-P energy: -44.037
bonds (distance) P-C4' energy: -40.647
flat angles C4'-P-C4' energy: -46.694
flat angles P-C4'-P energy: -22.565
tors. eta vs tors. theta energy: -7.601
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: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -946.579043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.579043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.579043 (E_RNA)
where:
Base-Base interactions energy: -644.092
where: short stacking energy: -283.115
Base-Backbone interact. energy: 1.857
local terms energy: -304.343650
where:
bonds (distance) C4'-P energy: -55.280
bonds (distance) P-C4' energy: -57.001
flat angles C4'-P-C4' energy: -60.944
flat angles P-C4'-P energy: -43.040
tors. eta vs tors. theta energy: -88.079
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: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -935.497726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.497726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.497726 (E_RNA)
where:
Base-Base interactions energy: -652.904
where: short stacking energy: -279.454
Base-Backbone interact. energy: -0.133
local terms energy: -282.460271
where:
bonds (distance) C4'-P energy: -48.712
bonds (distance) P-C4' energy: -49.723
flat angles C4'-P-C4' energy: -63.075
flat angles P-C4'-P energy: -43.439
tors. eta vs tors. theta energy: -77.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -886.065222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.065222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.065222 (E_RNA)
where:
Base-Base interactions energy: -608.387
where: short stacking energy: -254.714
Base-Backbone interact. energy: -0.462
local terms energy: -277.216040
where:
bonds (distance) C4'-P energy: -47.515
bonds (distance) P-C4' energy: -55.458
flat angles C4'-P-C4' energy: -58.358
flat angles P-C4'-P energy: -42.913
tors. eta vs tors. theta energy: -72.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -818.904212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.904212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.904212 (E_RNA)
where:
Base-Base interactions energy: -564.533
where: short stacking energy: -234.024
Base-Backbone interact. energy: -0.718
local terms energy: -253.653441
where:
bonds (distance) C4'-P energy: -57.050
bonds (distance) P-C4' energy: -44.910
flat angles C4'-P-C4' energy: -55.976
flat angles P-C4'-P energy: -28.505
tors. eta vs tors. theta energy: -67.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -804.508699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.508699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.508699 (E_RNA)
where:
Base-Base interactions energy: -545.630
where: short stacking energy: -229.371
Base-Backbone interact. energy: -1.342
local terms energy: -257.536111
where:
bonds (distance) C4'-P energy: -56.274
bonds (distance) P-C4' energy: -48.029
flat angles C4'-P-C4' energy: -50.565
flat angles P-C4'-P energy: -34.858
tors. eta vs tors. theta energy: -67.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -800.619515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.619515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.619515 (E_RNA)
where:
Base-Base interactions energy: -570.708
where: short stacking energy: -249.135
Base-Backbone interact. energy: 2.082
local terms energy: -231.993190
where:
bonds (distance) C4'-P energy: -40.251
bonds (distance) P-C4' energy: -48.988
flat angles C4'-P-C4' energy: -57.191
flat angles P-C4'-P energy: -24.456
tors. eta vs tors. theta energy: -61.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -650.620974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.620974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.620974 (E_RNA)
where:
Base-Base interactions energy: -436.155
where: short stacking energy: -170.117
Base-Backbone interact. energy: -0.941
local terms energy: -213.524748
where:
bonds (distance) C4'-P energy: -34.784
bonds (distance) P-C4' energy: -48.908
flat angles C4'-P-C4' energy: -55.983
flat angles P-C4'-P energy: -34.204
tors. eta vs tors. theta energy: -39.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -583.758097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.758097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.758097 (E_RNA)
where:
Base-Base interactions energy: -384.407
where: short stacking energy: -171.363
Base-Backbone interact. energy: -0.835
local terms energy: -198.515963
where:
bonds (distance) C4'-P energy: -51.839
bonds (distance) P-C4' energy: -41.892
flat angles C4'-P-C4' energy: -49.709
flat angles P-C4'-P energy: -30.160
tors. eta vs tors. theta energy: -24.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -694.725611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.725611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.725611 (E_RNA)
where:
Base-Base interactions energy: -474.196
where: short stacking energy: -212.833
Base-Backbone interact. energy: 0.984
local terms energy: -221.513748
where:
bonds (distance) C4'-P energy: -39.688
bonds (distance) P-C4' energy: -42.045
flat angles C4'-P-C4' energy: -46.093
flat angles P-C4'-P energy: -33.345
tors. eta vs tors. theta energy: -60.342
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: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -338.566650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.566650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.566650 (E_RNA)
where:
Base-Base interactions energy: -202.838
where: short stacking energy: -90.291
Base-Backbone interact. energy: 1.619
local terms energy: -137.348243
where:
bonds (distance) C4'-P energy: -39.743
bonds (distance) P-C4' energy: -39.825
flat angles C4'-P-C4' energy: -35.491
flat angles P-C4'-P energy: -23.074
tors. eta vs tors. theta energy: 0.785
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: 355
Temperature: 0.900000
Total energy: -945.980245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.980245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.980245 (E_RNA)
where:
Base-Base interactions energy: -645.420
where: short stacking energy: -282.974
Base-Backbone interact. energy: -2.093
local terms energy: -298.467167
where:
bonds (distance) C4'-P energy: -55.133
bonds (distance) P-C4' energy: -54.992
flat angles C4'-P-C4' energy: -65.019
flat angles P-C4'-P energy: -36.295
tors. eta vs tors. theta energy: -87.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -946.678195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.678195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.678195 (E_RNA)
where:
Base-Base interactions energy: -648.564
where: short stacking energy: -285.023
Base-Backbone interact. energy: -0.540
local terms energy: -297.575050
where:
bonds (distance) C4'-P energy: -53.763
bonds (distance) P-C4' energy: -56.293
flat angles C4'-P-C4' energy: -63.666
flat angles P-C4'-P energy: -39.810
tors. eta vs tors. theta energy: -84.043
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: 6
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -875.048074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.048074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.048074 (E_RNA)
where:
Base-Base interactions energy: -580.346
where: short stacking energy: -266.715
Base-Backbone interact. energy: -1.380
local terms energy: -293.321507
where:
bonds (distance) C4'-P energy: -51.994
bonds (distance) P-C4' energy: -55.710
flat angles C4'-P-C4' energy: -59.362
flat angles P-C4'-P energy: -46.474
tors. eta vs tors. theta energy: -79.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -846.175243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.175243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.175243 (E_RNA)
where:
Base-Base interactions energy: -590.669
where: short stacking energy: -253.237
Base-Backbone interact. energy: -0.562
local terms energy: -254.944622
where:
bonds (distance) C4'-P energy: -51.627
bonds (distance) P-C4' energy: -41.538
flat angles C4'-P-C4' energy: -50.415
flat angles P-C4'-P energy: -37.643
tors. eta vs tors. theta energy: -73.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -804.528866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.528866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.528866 (E_RNA)
where:
Base-Base interactions energy: -550.523
where: short stacking energy: -228.481
Base-Backbone interact. energy: -0.872
local terms energy: -253.133307
where:
bonds (distance) C4'-P energy: -47.432
bonds (distance) P-C4' energy: -51.350
flat angles C4'-P-C4' energy: -58.173
flat angles P-C4'-P energy: -33.096
tors. eta vs tors. theta energy: -63.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -788.062680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.062680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.062680 (E_RNA)
where:
Base-Base interactions energy: -550.825
where: short stacking energy: -223.554
Base-Backbone interact. energy: -0.701
local terms energy: -236.536019
where:
bonds (distance) C4'-P energy: -39.417
bonds (distance) P-C4' energy: -47.572
flat angles C4'-P-C4' energy: -54.477
flat angles P-C4'-P energy: -36.674
tors. eta vs tors. theta energy: -58.396
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: 8
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -666.096218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.096218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.096218 (E_RNA)
where:
Base-Base interactions energy: -446.460
where: short stacking energy: -177.348
Base-Backbone interact. energy: -0.155
local terms energy: -219.481430
where:
bonds (distance) C4'-P energy: -43.816
bonds (distance) P-C4' energy: -47.946
flat angles C4'-P-C4' energy: -47.370
flat angles P-C4'-P energy: -36.173
tors. eta vs tors. theta energy: -44.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -674.692863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.692863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.692863 (E_RNA)
where:
Base-Base interactions energy: -442.687
where: short stacking energy: -183.595
Base-Backbone interact. energy: 0.219
local terms energy: -232.224660
where:
bonds (distance) C4'-P energy: -41.329
bonds (distance) P-C4' energy: -59.744
flat angles C4'-P-C4' energy: -48.430
flat angles P-C4'-P energy: -34.113
tors. eta vs tors. theta energy: -48.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -556.361678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.361678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.361678 (E_RNA)
where:
Base-Base interactions energy: -363.361
where: short stacking energy: -161.072
Base-Backbone interact. energy: -0.849
local terms energy: -192.151176
where:
bonds (distance) C4'-P energy: -44.673
bonds (distance) P-C4' energy: -44.680
flat angles C4'-P-C4' energy: -45.142
flat angles P-C4'-P energy: -28.063
tors. eta vs tors. theta energy: -29.594
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: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -354.453566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.453566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.453566 (E_RNA)
where:
Base-Base interactions energy: -203.982
where: short stacking energy: -95.573
Base-Backbone interact. energy: -1.701
local terms energy: -148.770187
where:
bonds (distance) C4'-P energy: -45.146
bonds (distance) P-C4' energy: -41.660
flat angles C4'-P-C4' energy: -41.909
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -9.506
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: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -949.848513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.848513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.848513 (E_RNA)
where:
Base-Base interactions energy: -667.530
where: short stacking energy: -282.128
Base-Backbone interact. energy: -2.196
local terms energy: -280.122518
where:
bonds (distance) C4'-P energy: -56.519
bonds (distance) P-C4' energy: -52.981
flat angles C4'-P-C4' energy: -56.139
flat angles P-C4'-P energy: -37.712
tors. eta vs tors. theta energy: -76.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -934.492819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.492819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.492819 (E_RNA)
where:
Base-Base interactions energy: -636.152
where: short stacking energy: -284.114
Base-Backbone interact. energy: -1.350
local terms energy: -296.989977
where:
bonds (distance) C4'-P energy: -56.527
bonds (distance) P-C4' energy: -47.696
flat angles C4'-P-C4' energy: -62.853
flat angles P-C4'-P energy: -41.736
tors. eta vs tors. theta energy: -88.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -874.708126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.708126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.708126 (E_RNA)
where:
Base-Base interactions energy: -592.735
where: short stacking energy: -275.240
Base-Backbone interact. energy: -0.135
local terms energy: -281.838094
where:
bonds (distance) C4'-P energy: -49.527
bonds (distance) P-C4' energy: -57.876
flat angles C4'-P-C4' energy: -55.490
flat angles P-C4'-P energy: -39.158
tors. eta vs tors. theta energy: -79.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -838.268807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.268807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.268807 (E_RNA)
where:
Base-Base interactions energy: -580.305
where: short stacking energy: -242.599
Base-Backbone interact. energy: -0.141
local terms energy: -257.823000
where:
bonds (distance) C4'-P energy: -40.662
bonds (distance) P-C4' energy: -54.961
flat angles C4'-P-C4' energy: -47.258
flat angles P-C4'-P energy: -43.296
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: 5, replica: 2
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -793.904706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.904706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.904706 (E_RNA)
where:
Base-Base interactions energy: -540.117
where: short stacking energy: -224.876
Base-Backbone interact. energy: 2.499
local terms energy: -256.286336
where:
bonds (distance) C4'-P energy: -50.235
bonds (distance) P-C4' energy: -50.544
flat angles C4'-P-C4' energy: -59.821
flat angles P-C4'-P energy: -32.625
tors. eta vs tors. theta energy: -63.062
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: 6, replica: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -733.642516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.642516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.642516 (E_RNA)
where:
Base-Base interactions energy: -498.970
where: short stacking energy: -206.722
Base-Backbone interact. energy: -1.870
local terms energy: -232.802274
where:
bonds (distance) C4'-P energy: -41.628
bonds (distance) P-C4' energy: -53.197
flat angles C4'-P-C4' energy: -57.482
flat angles P-C4'-P energy: -30.468
tors. eta vs tors. theta energy: -50.027
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: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -732.047479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.047479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.047479 (E_RNA)
where:
Base-Base interactions energy: -507.452
where: short stacking energy: -212.832
Base-Backbone interact. energy: -1.148
local terms energy: -223.447239
where:
bonds (distance) C4'-P energy: -45.195
bonds (distance) P-C4' energy: -47.283
flat angles C4'-P-C4' energy: -55.400
flat angles P-C4'-P energy: -24.353
tors. eta vs tors. theta energy: -51.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -669.379989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.379989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.379989 (E_RNA)
where:
Base-Base interactions energy: -435.577
where: short stacking energy: -180.225
Base-Backbone interact. energy: -0.547
local terms energy: -233.255933
where:
bonds (distance) C4'-P energy: -43.743
bonds (distance) P-C4' energy: -58.770
flat angles C4'-P-C4' energy: -52.034
flat angles P-C4'-P energy: -29.396
tors. eta vs tors. theta energy: -49.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -498.279765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.279765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.279765 (E_RNA)
where:
Base-Base interactions energy: -328.280
where: short stacking energy: -143.511
Base-Backbone interact. energy: 1.715
local terms energy: -171.714810
where:
bonds (distance) C4'-P energy: -37.348
bonds (distance) P-C4' energy: -49.152
flat angles C4'-P-C4' energy: -45.205
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: -19.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -371.297442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.297442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.297442 (E_RNA)
where:
Base-Base interactions energy: -193.555
where: short stacking energy: -111.465
Base-Backbone interact. energy: -0.940
local terms energy: -176.801673
where:
bonds (distance) C4'-P energy: -41.651
bonds (distance) P-C4' energy: -43.707
flat angles C4'-P-C4' energy: -50.263
flat angles P-C4'-P energy: -19.561
tors. eta vs tors. theta energy: -21.619
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: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -966.244598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.244598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.244598 (E_RNA)
where:
Base-Base interactions energy: -663.909
where: short stacking energy: -277.655
Base-Backbone interact. energy: -1.698
local terms energy: -300.638032
where:
bonds (distance) C4'-P energy: -59.367
bonds (distance) P-C4' energy: -54.240
flat angles C4'-P-C4' energy: -63.279
flat angles P-C4'-P energy: -43.730
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: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -936.397758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.397758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.397758 (E_RNA)
where:
Base-Base interactions energy: -652.092
where: short stacking energy: -280.489
Base-Backbone interact. energy: -0.838
local terms energy: -283.467590
where:
bonds (distance) C4'-P energy: -54.638
bonds (distance) P-C4' energy: -52.227
flat angles C4'-P-C4' energy: -58.126
flat angles P-C4'-P energy: -38.166
tors. eta vs tors. theta energy: -80.310
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: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -871.920002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.920002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.920002 (E_RNA)
where:
Base-Base interactions energy: -589.245
where: short stacking energy: -266.698
Base-Backbone interact. energy: -0.162
local terms energy: -282.512750
where:
bonds (distance) C4'-P energy: -49.230
bonds (distance) P-C4' energy: -43.360
flat angles C4'-P-C4' energy: -60.418
flat angles P-C4'-P energy: -48.622
tors. eta vs tors. theta energy: -80.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -834.520544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.520544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.520544 (E_RNA)
where:
Base-Base interactions energy: -569.914
where: short stacking energy: -244.211
Base-Backbone interact. energy: -0.234
local terms energy: -264.372265
where:
bonds (distance) C4'-P energy: -53.794
bonds (distance) P-C4' energy: -49.161
flat angles C4'-P-C4' energy: -56.494
flat angles P-C4'-P energy: -35.373
tors. eta vs tors. theta energy: -69.550
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: 357
Temperature: 1.100000
Total energy: -790.932759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.932759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.932759 (E_RNA)
where:
Base-Base interactions energy: -543.707
where: short stacking energy: -216.000
Base-Backbone interact. energy: -0.148
local terms energy: -247.078383
where:
bonds (distance) C4'-P energy: -38.396
bonds (distance) P-C4' energy: -46.977
flat angles C4'-P-C4' energy: -57.970
flat angles P-C4'-P energy: -37.273
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: 6, replica: 5
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -762.192012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.192012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.192012 (E_RNA)
where:
Base-Base interactions energy: -514.066
where: short stacking energy: -228.065
Base-Backbone interact. energy: -0.821
local terms energy: -247.305346
where:
bonds (distance) C4'-P energy: -41.807
bonds (distance) P-C4' energy: -46.108
flat angles C4'-P-C4' energy: -58.054
flat angles P-C4'-P energy: -38.121
tors. eta vs tors. theta energy: -63.215
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: 8
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -718.537156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.537156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.537156 (E_RNA)
where:
Base-Base interactions energy: -493.778
where: short stacking energy: -218.545
Base-Backbone interact. energy: -0.131
local terms energy: -224.627972
where:
bonds (distance) C4'-P energy: -51.893
bonds (distance) P-C4' energy: -49.228
flat angles C4'-P-C4' energy: -40.810
flat angles P-C4'-P energy: -27.243
tors. eta vs tors. theta energy: -55.454
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: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -652.261477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.261477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.261477 (E_RNA)
where:
Base-Base interactions energy: -416.295
where: short stacking energy: -182.189
Base-Backbone interact. energy: -0.447
local terms energy: -235.519118
where:
bonds (distance) C4'-P energy: -43.674
bonds (distance) P-C4' energy: -49.398
flat angles C4'-P-C4' energy: -58.052
flat angles P-C4'-P energy: -31.269
tors. eta vs tors. theta energy: -53.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -528.260593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.260593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.260593 (E_RNA)
where:
Base-Base interactions energy: -330.855
where: short stacking energy: -137.015
Base-Backbone interact. energy: 2.596
local terms energy: -200.001907
where:
bonds (distance) C4'-P energy: -42.259
bonds (distance) P-C4' energy: -47.376
flat angles C4'-P-C4' energy: -47.931
flat angles P-C4'-P energy: -37.405
tors. eta vs tors. theta energy: -25.031
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: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -348.350201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.350201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.350201 (E_RNA)
where:
Base-Base interactions energy: -181.904
where: short stacking energy: -107.430
Base-Backbone interact. energy: 2.847
local terms energy: -169.292985
where:
bonds (distance) C4'-P energy: -42.512
bonds (distance) P-C4' energy: -48.857
flat angles C4'-P-C4' energy: -41.741
flat angles P-C4'-P energy: -25.715
tors. eta vs tors. theta energy: -10.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -942.351540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.351540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.351540 (E_RNA)
where:
Base-Base interactions energy: -653.608
where: short stacking energy: -280.217
Base-Backbone interact. energy: -0.605
local terms energy: -288.138507
where:
bonds (distance) C4'-P energy: -48.023
bonds (distance) P-C4' energy: -53.701
flat angles C4'-P-C4' energy: -61.833
flat angles P-C4'-P energy: -40.428
tors. eta vs tors. theta energy: -84.154
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: 2, replica: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -952.059189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.059189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.059189 (E_RNA)
where:
Base-Base interactions energy: -664.981
where: short stacking energy: -295.653
Base-Backbone interact. energy: -0.678
local terms energy: -286.400248
where:
bonds (distance) C4'-P energy: -52.841
bonds (distance) P-C4' energy: -50.281
flat angles C4'-P-C4' energy: -54.411
flat angles P-C4'-P energy: -40.913
tors. eta vs tors. theta energy: -87.955
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: 6
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -889.084096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.084096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.084096 (E_RNA)
where:
Base-Base interactions energy: -582.988
where: short stacking energy: -260.084
Base-Backbone interact. energy: -0.176
local terms energy: -305.920563
where:
bonds (distance) C4'-P energy: -57.234
bonds (distance) P-C4' energy: -47.827
flat angles C4'-P-C4' energy: -64.082
flat angles P-C4'-P energy: -50.361
tors. eta vs tors. theta energy: -86.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -834.126691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.126691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.126691 (E_RNA)
where:
Base-Base interactions energy: -580.842
where: short stacking energy: -244.631
Base-Backbone interact. energy: 0.317
local terms energy: -253.601541
where:
bonds (distance) C4'-P energy: -41.939
bonds (distance) P-C4' energy: -50.065
flat angles C4'-P-C4' energy: -51.994
flat angles P-C4'-P energy: -36.951
tors. eta vs tors. theta energy: -72.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -780.065469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.065469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.065469 (E_RNA)
where:
Base-Base interactions energy: -534.510
where: short stacking energy: -234.288
Base-Backbone interact. energy: -0.668
local terms energy: -244.887593
where:
bonds (distance) C4'-P energy: -42.585
bonds (distance) P-C4' energy: -48.274
flat angles C4'-P-C4' energy: -57.243
flat angles P-C4'-P energy: -34.349
tors. eta vs tors. theta energy: -62.436
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: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -778.789938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.789938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.789938 (E_RNA)
where:
Base-Base interactions energy: -531.369
where: short stacking energy: -230.769
Base-Backbone interact. energy: -0.495
local terms energy: -246.925991
where:
bonds (distance) C4'-P energy: -48.856
bonds (distance) P-C4' energy: -53.599
flat angles C4'-P-C4' energy: -56.285
flat angles P-C4'-P energy: -31.635
tors. eta vs tors. theta energy: -56.551
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: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -716.855180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.855180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.855180 (E_RNA)
where:
Base-Base interactions energy: -484.209
where: short stacking energy: -209.858
Base-Backbone interact. energy: 0.135
local terms energy: -232.780860
where:
bonds (distance) C4'-P energy: -43.780
bonds (distance) P-C4' energy: -41.749
flat angles C4'-P-C4' energy: -54.788
flat angles P-C4'-P energy: -37.009
tors. eta vs tors. theta energy: -55.454
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: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -673.132703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.132703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.132703 (E_RNA)
where:
Base-Base interactions energy: -428.034
where: short stacking energy: -189.208
Base-Backbone interact. energy: -0.684
local terms energy: -244.414347
where:
bonds (distance) C4'-P energy: -53.925
bonds (distance) P-C4' energy: -56.929
flat angles C4'-P-C4' energy: -52.661
flat angles P-C4'-P energy: -27.486
tors. eta vs tors. theta energy: -53.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -529.958312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.958312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.958312 (E_RNA)
where:
Base-Base interactions energy: -358.334
where: short stacking energy: -160.242
Base-Backbone interact. energy: -0.375
local terms energy: -171.248791
where:
bonds (distance) C4'-P energy: -32.525
bonds (distance) P-C4' energy: -36.846
flat angles C4'-P-C4' energy: -42.480
flat angles P-C4'-P energy: -22.213
tors. eta vs tors. theta energy: -37.184
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: 358
Temperature: 1.350000
Total energy: -371.435885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.435885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.435885 (E_RNA)
where:
Base-Base interactions energy: -214.896
where: short stacking energy: -102.123
Base-Backbone interact. energy: -0.620
local terms energy: -155.919812
where:
bonds (distance) C4'-P energy: -48.523
bonds (distance) P-C4' energy: -47.841
flat angles C4'-P-C4' energy: -30.185
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -13.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -959.313625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.313625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.313625 (E_RNA)
where:
Base-Base interactions energy: -654.043
where: short stacking energy: -301.169
Base-Backbone interact. energy: -0.776
local terms energy: -304.493762
where:
bonds (distance) C4'-P energy: -50.338
bonds (distance) P-C4' energy: -58.286
flat angles C4'-P-C4' energy: -62.324
flat angles P-C4'-P energy: -46.096
tors. eta vs tors. theta energy: -87.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -933.924132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.924132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.924132 (E_RNA)
where:
Base-Base interactions energy: -653.948
where: short stacking energy: -300.139
Base-Backbone interact. energy: 1.134
local terms energy: -281.109783
where:
bonds (distance) C4'-P energy: -42.194
bonds (distance) P-C4' energy: -53.856
flat angles C4'-P-C4' energy: -62.313
flat angles P-C4'-P energy: -36.801
tors. eta vs tors. theta energy: -85.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -851.594454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.594454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.594454 (E_RNA)
where:
Base-Base interactions energy: -584.917
where: short stacking energy: -256.458
Base-Backbone interact. energy: -0.272
local terms energy: -266.405793
where:
bonds (distance) C4'-P energy: -50.844
bonds (distance) P-C4' energy: -54.782
flat angles C4'-P-C4' energy: -45.825
flat angles P-C4'-P energy: -39.117
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: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -827.623698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.623698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.623698 (E_RNA)
where:
Base-Base interactions energy: -566.499
where: short stacking energy: -243.343
Base-Backbone interact. energy: -0.139
local terms energy: -260.986020
where:
bonds (distance) C4'-P energy: -57.818
bonds (distance) P-C4' energy: -37.047
flat angles C4'-P-C4' energy: -56.060
flat angles P-C4'-P energy: -38.503
tors. eta vs tors. theta energy: -71.559
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: 5, replica: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -800.936459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.936459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.936459 (E_RNA)
where:
Base-Base interactions energy: -551.364
where: short stacking energy: -234.682
Base-Backbone interact. energy: -0.520
local terms energy: -249.052485
where:
bonds (distance) C4'-P energy: -44.501
bonds (distance) P-C4' energy: -50.398
flat angles C4'-P-C4' energy: -50.136
flat angles P-C4'-P energy: -36.583
tors. eta vs tors. theta energy: -67.435
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: 6, replica: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -761.720557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.720557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.720557 (E_RNA)
where:
Base-Base interactions energy: -523.436
where: short stacking energy: -216.525
Base-Backbone interact. energy: -1.830
local terms energy: -236.454899
where:
bonds (distance) C4'-P energy: -57.991
bonds (distance) P-C4' energy: -45.778
flat angles C4'-P-C4' energy: -44.321
flat angles P-C4'-P energy: -38.840
tors. eta vs tors. theta energy: -49.525
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: 359
Temperature: 1.200000
Total energy: -735.515602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.515602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.515602 (E_RNA)
where:
Base-Base interactions energy: -509.277
where: short stacking energy: -207.743
Base-Backbone interact. energy: 3.123
local terms energy: -229.361599
where:
bonds (distance) C4'-P energy: -39.136
bonds (distance) P-C4' energy: -37.275
flat angles C4'-P-C4' energy: -53.044
flat angles P-C4'-P energy: -40.389
tors. eta vs tors. theta energy: -59.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -615.087597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.087597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.087597 (E_RNA)
where:
Base-Base interactions energy: -401.745
where: short stacking energy: -165.161
Base-Backbone interact. energy: -0.756
local terms energy: -212.586812
where:
bonds (distance) C4'-P energy: -50.079
bonds (distance) P-C4' energy: -44.821
flat angles C4'-P-C4' energy: -40.156
flat angles P-C4'-P energy: -35.350
tors. eta vs tors. theta energy: -42.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -558.129949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.129949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.129949 (E_RNA)
where:
Base-Base interactions energy: -358.215
where: short stacking energy: -161.418
Base-Backbone interact. energy: -0.662
local terms energy: -199.253097
where:
bonds (distance) C4'-P energy: -47.868
bonds (distance) P-C4' energy: -42.334
flat angles C4'-P-C4' energy: -43.104
flat angles P-C4'-P energy: -29.086
tors. eta vs tors. theta energy: -36.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -403.692617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.692617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.692617 (E_RNA)
where:
Base-Base interactions energy: -222.408
where: short stacking energy: -116.500
Base-Backbone interact. energy: -1.132
local terms energy: -180.153131
where:
bonds (distance) C4'-P energy: -43.274
bonds (distance) P-C4' energy: -45.876
flat angles C4'-P-C4' energy: -47.219
flat angles P-C4'-P energy: -27.988
tors. eta vs tors. theta energy: -15.797
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: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -935.443168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.443168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.443168 (E_RNA)
where:
Base-Base interactions energy: -646.556
where: short stacking energy: -288.651
Base-Backbone interact. energy: 0.424
local terms energy: -289.311232
where:
bonds (distance) C4'-P energy: -45.917
bonds (distance) P-C4' energy: -50.622
flat angles C4'-P-C4' energy: -64.232
flat angles P-C4'-P energy: -40.107
tors. eta vs tors. theta energy: -88.433
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: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -935.064205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.064205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.064205 (E_RNA)
where:
Base-Base interactions energy: -660.809
where: short stacking energy: -280.813
Base-Backbone interact. energy: 0.042
local terms energy: -274.297629
where:
bonds (distance) C4'-P energy: -46.796
bonds (distance) P-C4' energy: -57.013
flat angles C4'-P-C4' energy: -53.438
flat angles P-C4'-P energy: -40.863
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: 3, replica: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -857.511469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.511469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.511469 (E_RNA)
where:
Base-Base interactions energy: -595.788
where: short stacking energy: -266.810
Base-Backbone interact. energy: -0.746
local terms energy: -260.977995
where:
bonds (distance) C4'-P energy: -48.357
bonds (distance) P-C4' energy: -50.167
flat angles C4'-P-C4' energy: -58.109
flat angles P-C4'-P energy: -29.357
tors. eta vs tors. theta energy: -74.987
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: 360
Temperature: 1.050000
Total energy: -838.968652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.968652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.968652 (E_RNA)
where:
Base-Base interactions energy: -580.033
where: short stacking energy: -260.151
Base-Backbone interact. energy: 0.873
local terms energy: -259.808949
where:
bonds (distance) C4'-P energy: -48.459
bonds (distance) P-C4' energy: -49.676
flat angles C4'-P-C4' energy: -51.740
flat angles P-C4'-P energy: -35.943
tors. eta vs tors. theta energy: -73.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -767.677938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.677938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.677938 (E_RNA)
where:
Base-Base interactions energy: -527.010
where: short stacking energy: -213.973
Base-Backbone interact. energy: 0.487
local terms energy: -241.155689
where:
bonds (distance) C4'-P energy: -56.437
bonds (distance) P-C4' energy: -43.352
flat angles C4'-P-C4' energy: -53.933
flat angles P-C4'-P energy: -36.365
tors. eta vs tors. theta energy: -51.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -778.622270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.622270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.622270 (E_RNA)
where:
Base-Base interactions energy: -537.663
where: short stacking energy: -221.587
Base-Backbone interact. energy: 1.713
local terms energy: -242.672361
where:
bonds (distance) C4'-P energy: -41.186
bonds (distance) P-C4' energy: -52.368
flat angles C4'-P-C4' energy: -52.918
flat angles P-C4'-P energy: -37.508
tors. eta vs tors. theta energy: -58.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -671.200170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.200170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.200170 (E_RNA)
where:
Base-Base interactions energy: -443.101
where: short stacking energy: -195.935
Base-Backbone interact. energy: -0.333
local terms energy: -227.766136
where:
bonds (distance) C4'-P energy: -41.753
bonds (distance) P-C4' energy: -41.769
flat angles C4'-P-C4' energy: -58.882
flat angles P-C4'-P energy: -33.436
tors. eta vs tors. theta energy: -51.927
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: 360
Temperature: 1.250000
Total energy: -712.671209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.671209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.671209 (E_RNA)
where:
Base-Base interactions energy: -488.326
where: short stacking energy: -210.789
Base-Backbone interact. energy: -0.195
local terms energy: -224.150268
where:
bonds (distance) C4'-P energy: -43.977
bonds (distance) P-C4' energy: -45.363
flat angles C4'-P-C4' energy: -41.204
flat angles P-C4'-P energy: -41.359
tors. eta vs tors. theta energy: -52.246
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: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -588.511763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.511763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.511763 (E_RNA)
where:
Base-Base interactions energy: -380.601
where: short stacking energy: -176.215
Base-Backbone interact. energy: -0.340
local terms energy: -207.571452
where:
bonds (distance) C4'-P energy: -36.884
bonds (distance) P-C4' energy: -52.112
flat angles C4'-P-C4' energy: -46.075
flat angles P-C4'-P energy: -26.526
tors. eta vs tors. theta energy: -45.975
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: 360
Temperature: 1.350000
Total energy: -352.489107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.489107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.489107 (E_RNA)
where:
Base-Base interactions energy: -205.891
where: short stacking energy: -107.394
Base-Backbone interact. energy: -0.612
local terms energy: -145.985870
where:
bonds (distance) C4'-P energy: -45.482
bonds (distance) P-C4' energy: -32.959
flat angles C4'-P-C4' energy: -28.881
flat angles P-C4'-P energy: -22.380
tors. eta vs tors. theta energy: -16.284
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: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -970.542560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.542560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.542560 (E_RNA)
where:
Base-Base interactions energy: -670.910
where: short stacking energy: -303.354
Base-Backbone interact. energy: -0.895
local terms energy: -298.737434
where:
bonds (distance) C4'-P energy: -56.119
bonds (distance) P-C4' energy: -49.176
flat angles C4'-P-C4' energy: -61.560
flat angles P-C4'-P energy: -46.087
tors. eta vs tors. theta energy: -85.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -921.430611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.430611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.430611 (E_RNA)
where:
Base-Base interactions energy: -636.146
where: short stacking energy: -280.277
Base-Backbone interact. energy: 1.226
local terms energy: -286.510516
where:
bonds (distance) C4'-P energy: -52.045
bonds (distance) P-C4' energy: -52.250
flat angles C4'-P-C4' energy: -60.112
flat angles P-C4'-P energy: -39.378
tors. eta vs tors. theta energy: -82.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -850.338798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.338798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.338798 (E_RNA)
where:
Base-Base interactions energy: -573.041
where: short stacking energy: -249.614
Base-Backbone interact. energy: 1.252
local terms energy: -278.549613
where:
bonds (distance) C4'-P energy: -49.685
bonds (distance) P-C4' energy: -47.892
flat angles C4'-P-C4' energy: -57.453
flat angles P-C4'-P energy: -48.125
tors. eta vs tors. theta energy: -75.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -835.011038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.011038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.011038 (E_RNA)
where:
Base-Base interactions energy: -569.747
where: short stacking energy: -250.507
Base-Backbone interact. energy: -0.230
local terms energy: -265.034141
where:
bonds (distance) C4'-P energy: -37.452
bonds (distance) P-C4' energy: -46.386
flat angles C4'-P-C4' energy: -61.037
flat angles P-C4'-P energy: -41.219
tors. eta vs tors. theta energy: -78.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -797.029778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.029778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.029778 (E_RNA)
where:
Base-Base interactions energy: -556.833
where: short stacking energy: -219.121
Base-Backbone interact. energy: -1.018
local terms energy: -239.178354
where:
bonds (distance) C4'-P energy: -38.106
bonds (distance) P-C4' energy: -39.737
flat angles C4'-P-C4' energy: -59.142
flat angles P-C4'-P energy: -46.200
tors. eta vs tors. theta energy: -55.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -778.139195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.139195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.139195 (E_RNA)
where:
Base-Base interactions energy: -527.846
where: short stacking energy: -201.698
Base-Backbone interact. energy: -0.149
local terms energy: -250.145065
where:
bonds (distance) C4'-P energy: -45.750
bonds (distance) P-C4' energy: -52.963
flat angles C4'-P-C4' energy: -58.375
flat angles P-C4'-P energy: -39.430
tors. eta vs tors. theta energy: -53.628
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: 4
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -651.195261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.195261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.195261 (E_RNA)
where:
Base-Base interactions energy: -442.094
where: short stacking energy: -192.908
Base-Backbone interact. energy: -2.139
local terms energy: -206.962241
where:
bonds (distance) C4'-P energy: -46.261
bonds (distance) P-C4' energy: -43.068
flat angles C4'-P-C4' energy: -48.459
flat angles P-C4'-P energy: -28.058
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: 8, replica: 8
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -683.561776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.561776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.561776 (E_RNA)
where:
Base-Base interactions energy: -480.766
where: short stacking energy: -201.347
Base-Backbone interact. energy: 2.189
local terms energy: -204.985083
where:
bonds (distance) C4'-P energy: -42.018
bonds (distance) P-C4' energy: -47.634
flat angles C4'-P-C4' energy: -40.703
flat angles P-C4'-P energy: -29.669
tors. eta vs tors. theta energy: -44.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -600.232977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.232977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.232977 (E_RNA)
where:
Base-Base interactions energy: -396.379
where: short stacking energy: -169.169
Base-Backbone interact. energy: -1.030
local terms energy: -202.823806
where:
bonds (distance) C4'-P energy: -45.760
bonds (distance) P-C4' energy: -51.947
flat angles C4'-P-C4' energy: -49.519
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -41.738
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: 361
Temperature: 1.350000
Total energy: -374.899465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.899465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.899465 (E_RNA)
where:
Base-Base interactions energy: -214.914
where: short stacking energy: -102.024
Base-Backbone interact. energy: 9.227
local terms energy: -169.211992
where:
bonds (distance) C4'-P energy: -46.000
bonds (distance) P-C4' energy: -43.584
flat angles C4'-P-C4' energy: -40.367
flat angles P-C4'-P energy: -25.580
tors. eta vs tors. theta energy: -13.680
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: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -969.134186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.134186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.134186 (E_RNA)
where:
Base-Base interactions energy: -678.764
where: short stacking energy: -295.039
Base-Backbone interact. energy: -1.800
local terms energy: -288.570525
where:
bonds (distance) C4'-P energy: -44.383
bonds (distance) P-C4' energy: -55.615
flat angles C4'-P-C4' energy: -60.403
flat angles P-C4'-P energy: -41.768
tors. eta vs tors. theta energy: -86.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -931.411529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.411529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.411529 (E_RNA)
where:
Base-Base interactions energy: -632.430
where: short stacking energy: -285.666
Base-Backbone interact. energy: -1.581
local terms energy: -297.400907
where:
bonds (distance) C4'-P energy: -54.924
bonds (distance) P-C4' energy: -58.495
flat angles C4'-P-C4' energy: -62.267
flat angles P-C4'-P energy: -40.595
tors. eta vs tors. theta energy: -81.119
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: 3, replica: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -862.257549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.257549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.257549 (E_RNA)
where:
Base-Base interactions energy: -581.049
where: short stacking energy: -262.837
Base-Backbone interact. energy: -0.060
local terms energy: -281.148598
where:
bonds (distance) C4'-P energy: -55.837
bonds (distance) P-C4' energy: -50.061
flat angles C4'-P-C4' energy: -56.757
flat angles P-C4'-P energy: -41.419
tors. eta vs tors. theta energy: -77.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -856.399670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.399670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.399670 (E_RNA)
where:
Base-Base interactions energy: -600.184
where: short stacking energy: -269.035
Base-Backbone interact. energy: 0.648
local terms energy: -256.863486
where:
bonds (distance) C4'-P energy: -43.042
bonds (distance) P-C4' energy: -41.738
flat angles C4'-P-C4' energy: -53.894
flat angles P-C4'-P energy: -38.189
tors. eta vs tors. theta energy: -80.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -820.192528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.192528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.192528 (E_RNA)
where:
Base-Base interactions energy: -567.920
where: short stacking energy: -240.130
Base-Backbone interact. energy: -0.576
local terms energy: -251.696031
where:
bonds (distance) C4'-P energy: -45.145
bonds (distance) P-C4' energy: -54.030
flat angles C4'-P-C4' energy: -51.590
flat angles P-C4'-P energy: -39.875
tors. eta vs tors. theta energy: -61.056
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: 2
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -829.650326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.650326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.650326 (E_RNA)
where:
Base-Base interactions energy: -581.950
where: short stacking energy: -240.760
Base-Backbone interact. energy: -1.456
local terms energy: -246.244674
where:
bonds (distance) C4'-P energy: -42.235
bonds (distance) P-C4' energy: -41.551
flat angles C4'-P-C4' energy: -55.449
flat angles P-C4'-P energy: -39.824
tors. eta vs tors. theta energy: -67.186
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: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -731.378491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.378491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.378491 (E_RNA)
where:
Base-Base interactions energy: -515.279
where: short stacking energy: -216.520
Base-Backbone interact. energy: -0.303
local terms energy: -215.796925
where:
bonds (distance) C4'-P energy: -40.801
bonds (distance) P-C4' energy: -49.603
flat angles C4'-P-C4' energy: -44.714
flat angles P-C4'-P energy: -29.688
tors. eta vs tors. theta energy: -50.991
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: 4
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -589.389269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.389269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.389269 (E_RNA)
where:
Base-Base interactions energy: -374.231
where: short stacking energy: -168.341
Base-Backbone interact. energy: 0.198
local terms energy: -215.355661
where:
bonds (distance) C4'-P energy: -41.775
bonds (distance) P-C4' energy: -47.756
flat angles C4'-P-C4' energy: -47.007
flat angles P-C4'-P energy: -41.975
tors. eta vs tors. theta energy: -36.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -567.627274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.627274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.627274 (E_RNA)
where:
Base-Base interactions energy: -378.681
where: short stacking energy: -173.171
Base-Backbone interact. energy: -0.874
local terms energy: -188.071849
where:
bonds (distance) C4'-P energy: -38.847
bonds (distance) P-C4' energy: -40.326
flat angles C4'-P-C4' energy: -42.465
flat angles P-C4'-P energy: -25.522
tors. eta vs tors. theta energy: -40.911
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: 362
Temperature: 1.350000
Total energy: -340.694926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.694926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.694926 (E_RNA)
where:
Base-Base interactions energy: -187.787
where: short stacking energy: -98.154
Base-Backbone interact. energy: 0.718
local terms energy: -153.625912
where:
bonds (distance) C4'-P energy: -46.116
bonds (distance) P-C4' energy: -47.029
flat angles C4'-P-C4' energy: -32.860
flat angles P-C4'-P energy: -20.903
tors. eta vs tors. theta energy: -6.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -958.677756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.677756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.677756 (E_RNA)
where:
Base-Base interactions energy: -659.153
where: short stacking energy: -293.518
Base-Backbone interact. energy: 0.635
local terms energy: -300.159990
where:
bonds (distance) C4'-P energy: -62.666
bonds (distance) P-C4' energy: -50.761
flat angles C4'-P-C4' energy: -57.490
flat angles P-C4'-P energy: -47.634
tors. eta vs tors. theta energy: -81.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -927.397672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.397672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.397672 (E_RNA)
where:
Base-Base interactions energy: -653.084
where: short stacking energy: -286.006
Base-Backbone interact. energy: -1.344
local terms energy: -272.969678
where:
bonds (distance) C4'-P energy: -49.377
bonds (distance) P-C4' energy: -53.012
flat angles C4'-P-C4' energy: -58.470
flat angles P-C4'-P energy: -35.071
tors. eta vs tors. theta energy: -77.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -847.086978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.086978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.086978 (E_RNA)
where:
Base-Base interactions energy: -580.299
where: short stacking energy: -256.092
Base-Backbone interact. energy: -2.016
local terms energy: -264.771405
where:
bonds (distance) C4'-P energy: -51.831
bonds (distance) P-C4' energy: -49.255
flat angles C4'-P-C4' energy: -56.235
flat angles P-C4'-P energy: -34.752
tors. eta vs tors. theta energy: -72.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -850.371846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.371846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.371846 (E_RNA)
where:
Base-Base interactions energy: -566.080
where: short stacking energy: -250.162
Base-Backbone interact. energy: 1.638
local terms energy: -285.929669
where:
bonds (distance) C4'-P energy: -55.933
bonds (distance) P-C4' energy: -53.694
flat angles C4'-P-C4' energy: -62.726
flat angles P-C4'-P energy: -38.818
tors. eta vs tors. theta energy: -74.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -807.912072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.912072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.912072 (E_RNA)
where:
Base-Base interactions energy: -572.844
where: short stacking energy: -233.584
Base-Backbone interact. energy: -0.662
local terms energy: -234.406431
where:
bonds (distance) C4'-P energy: -44.862
bonds (distance) P-C4' energy: -40.525
flat angles C4'-P-C4' energy: -59.996
flat angles P-C4'-P energy: -29.141
tors. eta vs tors. theta energy: -59.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -804.114839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.114839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.114839 (E_RNA)
where:
Base-Base interactions energy: -543.477
where: short stacking energy: -228.210
Base-Backbone interact. energy: -1.053
local terms energy: -259.585513
where:
bonds (distance) C4'-P energy: -43.397
bonds (distance) P-C4' energy: -45.113
flat angles C4'-P-C4' energy: -56.837
flat angles P-C4'-P energy: -41.136
tors. eta vs tors. theta energy: -73.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -729.921281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.921281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.921281 (E_RNA)
where:
Base-Base interactions energy: -507.705
where: short stacking energy: -211.796
Base-Backbone interact. energy: -0.442
local terms energy: -221.773998
where:
bonds (distance) C4'-P energy: -39.056
bonds (distance) P-C4' energy: -46.921
flat angles C4'-P-C4' energy: -47.715
flat angles P-C4'-P energy: -23.999
tors. eta vs tors. theta energy: -64.083
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: 8, replica: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -625.680249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.680249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.680249 (E_RNA)
where:
Base-Base interactions energy: -388.508
where: short stacking energy: -174.821
Base-Backbone interact. energy: 1.421
local terms energy: -238.593483
where:
bonds (distance) C4'-P energy: -46.248
bonds (distance) P-C4' energy: -49.627
flat angles C4'-P-C4' energy: -52.335
flat angles P-C4'-P energy: -42.480
tors. eta vs tors. theta energy: -47.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -582.091229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.091229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.091229 (E_RNA)
where:
Base-Base interactions energy: -381.321
where: short stacking energy: -158.285
Base-Backbone interact. energy: 0.090
local terms energy: -200.860445
where:
bonds (distance) C4'-P energy: -58.218
bonds (distance) P-C4' energy: -47.245
flat angles C4'-P-C4' energy: -38.134
flat angles P-C4'-P energy: -23.531
tors. eta vs tors. theta energy: -33.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -352.199858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.199858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.199858 (E_RNA)
where:
Base-Base interactions energy: -178.205
where: short stacking energy: -77.737
Base-Backbone interact. energy: -1.657
local terms energy: -172.338304
where:
bonds (distance) C4'-P energy: -48.937
bonds (distance) P-C4' energy: -45.060
flat angles C4'-P-C4' energy: -46.801
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -8.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -962.069466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.069466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.069466 (E_RNA)
where:
Base-Base interactions energy: -661.100
where: short stacking energy: -286.455
Base-Backbone interact. energy: -0.933
local terms energy: -300.036321
where:
bonds (distance) C4'-P energy: -47.460
bonds (distance) P-C4' energy: -58.234
flat angles C4'-P-C4' energy: -56.825
flat angles P-C4'-P energy: -50.957
tors. eta vs tors. theta energy: -86.560
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: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -942.256644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.256644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.256644 (E_RNA)
where:
Base-Base interactions energy: -654.214
where: short stacking energy: -290.971
Base-Backbone interact. energy: -0.647
local terms energy: -287.396010
where:
bonds (distance) C4'-P energy: -54.042
bonds (distance) P-C4' energy: -45.897
flat angles C4'-P-C4' energy: -63.166
flat angles P-C4'-P energy: -42.882
tors. eta vs tors. theta energy: -81.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -859.478259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.478259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.478259 (E_RNA)
where:
Base-Base interactions energy: -574.476
where: short stacking energy: -261.451
Base-Backbone interact. energy: -1.117
local terms energy: -283.885345
where:
bonds (distance) C4'-P energy: -50.949
bonds (distance) P-C4' energy: -54.156
flat angles C4'-P-C4' energy: -59.062
flat angles P-C4'-P energy: -43.466
tors. eta vs tors. theta energy: -76.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -831.966797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.966797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.966797 (E_RNA)
where:
Base-Base interactions energy: -567.466
where: short stacking energy: -238.143
Base-Backbone interact. energy: -0.767
local terms energy: -263.732963
where:
bonds (distance) C4'-P energy: -45.962
bonds (distance) P-C4' energy: -54.257
flat angles C4'-P-C4' energy: -56.493
flat angles P-C4'-P energy: -38.791
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: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -810.341930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.341930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.341930 (E_RNA)
where:
Base-Base interactions energy: -576.837
where: short stacking energy: -234.497
Base-Backbone interact. energy: -1.003
local terms energy: -232.501776
where:
bonds (distance) C4'-P energy: -39.848
bonds (distance) P-C4' energy: -44.027
flat angles C4'-P-C4' energy: -53.840
flat angles P-C4'-P energy: -34.854
tors. eta vs tors. theta energy: -59.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -793.688901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.688901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.688901 (E_RNA)
where:
Base-Base interactions energy: -547.394
where: short stacking energy: -230.762
Base-Backbone interact. energy: -0.676
local terms energy: -245.618822
where:
bonds (distance) C4'-P energy: -42.263
bonds (distance) P-C4' energy: -38.414
flat angles C4'-P-C4' energy: -56.815
flat angles P-C4'-P energy: -33.874
tors. eta vs tors. theta energy: -74.254
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: 364
Temperature: 1.200000
Total energy: -705.332890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.332890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.332890 (E_RNA)
where:
Base-Base interactions energy: -484.131
where: short stacking energy: -194.935
Base-Backbone interact. energy: 0.026
local terms energy: -221.227984
where:
bonds (distance) C4'-P energy: -33.298
bonds (distance) P-C4' energy: -52.080
flat angles C4'-P-C4' energy: -55.081
flat angles P-C4'-P energy: -28.606
tors. eta vs tors. theta energy: -52.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -690.459292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.459292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.459292 (E_RNA)
where:
Base-Base interactions energy: -460.303
where: short stacking energy: -200.334
Base-Backbone interact. energy: -1.662
local terms energy: -228.494266
where:
bonds (distance) C4'-P energy: -34.404
bonds (distance) P-C4' energy: -48.860
flat angles C4'-P-C4' energy: -52.772
flat angles P-C4'-P energy: -30.419
tors. eta vs tors. theta energy: -62.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -622.550539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.550539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.550539 (E_RNA)
where:
Base-Base interactions energy: -404.591
where: short stacking energy: -179.549
Base-Backbone interact. energy: -0.419
local terms energy: -217.541179
where:
bonds (distance) C4'-P energy: -42.905
bonds (distance) P-C4' energy: -50.778
flat angles C4'-P-C4' energy: -42.569
flat angles P-C4'-P energy: -38.723
tors. eta vs tors. theta energy: -42.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -334.468819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.468819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.468819 (E_RNA)
where:
Base-Base interactions energy: -176.346
where: short stacking energy: -96.066
Base-Backbone interact. energy: -1.655
local terms energy: -156.467390
where:
bonds (distance) C4'-P energy: -30.228
bonds (distance) P-C4' energy: -46.240
flat angles C4'-P-C4' energy: -42.091
flat angles P-C4'-P energy: -26.990
tors. eta vs tors. theta energy: -10.918
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: 365
Temperature: 0.900000
Total energy: -936.822711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.822711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.822711 (E_RNA)
where:
Base-Base interactions energy: -658.181
where: short stacking energy: -280.081
Base-Backbone interact. energy: -0.912
local terms energy: -277.729793
where:
bonds (distance) C4'-P energy: -50.166
bonds (distance) P-C4' energy: -48.892
flat angles C4'-P-C4' energy: -62.556
flat angles P-C4'-P energy: -38.882
tors. eta vs tors. theta energy: -77.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -923.048703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.048703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.048703 (E_RNA)
where:
Base-Base interactions energy: -635.988
where: short stacking energy: -269.668
Base-Backbone interact. energy: -0.524
local terms energy: -286.536760
where:
bonds (distance) C4'-P energy: -46.281
bonds (distance) P-C4' energy: -57.307
flat angles C4'-P-C4' energy: -59.995
flat angles P-C4'-P energy: -44.265
tors. eta vs tors. theta energy: -78.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -854.097482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.097482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.097482 (E_RNA)
where:
Base-Base interactions energy: -584.429
where: short stacking energy: -259.253
Base-Backbone interact. energy: 1.659
local terms energy: -271.328007
where:
bonds (distance) C4'-P energy: -53.249
bonds (distance) P-C4' energy: -46.125
flat angles C4'-P-C4' energy: -58.606
flat angles P-C4'-P energy: -39.663
tors. eta vs tors. theta energy: -73.684
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: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -844.550578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.550578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.550578 (E_RNA)
where:
Base-Base interactions energy: -593.480
where: short stacking energy: -265.527
Base-Backbone interact. energy: 0.207
local terms energy: -251.276840
where:
bonds (distance) C4'-P energy: -36.119
bonds (distance) P-C4' energy: -52.072
flat angles C4'-P-C4' energy: -52.800
flat angles P-C4'-P energy: -32.208
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: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -790.535991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.535991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.535991 (E_RNA)
where:
Base-Base interactions energy: -541.972
where: short stacking energy: -223.030
Base-Backbone interact. energy: -0.782
local terms energy: -247.782315
where:
bonds (distance) C4'-P energy: -46.258
bonds (distance) P-C4' energy: -51.306
flat angles C4'-P-C4' energy: -43.516
flat angles P-C4'-P energy: -45.223
tors. eta vs tors. theta energy: -61.479
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: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -791.257657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.257657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.257657 (E_RNA)
where:
Base-Base interactions energy: -530.444
where: short stacking energy: -240.281
Base-Backbone interact. energy: 2.039
local terms energy: -262.853612
where:
bonds (distance) C4'-P energy: -43.908
bonds (distance) P-C4' energy: -50.786
flat angles C4'-P-C4' energy: -53.935
flat angles P-C4'-P energy: -41.721
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: 7, replica: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -714.469429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.469429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.469429 (E_RNA)
where:
Base-Base interactions energy: -485.318
where: short stacking energy: -211.124
Base-Backbone interact. energy: -0.869
local terms energy: -228.282653
where:
bonds (distance) C4'-P energy: -52.752
bonds (distance) P-C4' energy: -42.003
flat angles C4'-P-C4' energy: -46.743
flat angles P-C4'-P energy: -35.130
tors. eta vs tors. theta energy: -51.655
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: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -621.733789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.733789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.733789 (E_RNA)
where:
Base-Base interactions energy: -408.625
where: short stacking energy: -183.412
Base-Backbone interact. energy: -0.469
local terms energy: -212.639026
where:
bonds (distance) C4'-P energy: -40.237
bonds (distance) P-C4' energy: -47.749
flat angles C4'-P-C4' energy: -37.656
flat angles P-C4'-P energy: -37.255
tors. eta vs tors. theta energy: -49.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -646.016939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.016939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.016939 (E_RNA)
where:
Base-Base interactions energy: -441.793
where: short stacking energy: -197.046
Base-Backbone interact. energy: -1.012
local terms energy: -203.211868
where:
bonds (distance) C4'-P energy: -37.094
bonds (distance) P-C4' energy: -37.111
flat angles C4'-P-C4' energy: -39.287
flat angles P-C4'-P energy: -30.639
tors. eta vs tors. theta energy: -59.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -296.152900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.152900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.152900 (E_RNA)
where:
Base-Base interactions energy: -142.599
where: short stacking energy: -83.673
Base-Backbone interact. energy: -0.408
local terms energy: -153.146282
where:
bonds (distance) C4'-P energy: -40.039
bonds (distance) P-C4' energy: -47.832
flat angles C4'-P-C4' energy: -38.769
flat angles P-C4'-P energy: -24.936
tors. eta vs tors. theta energy: -1.571
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: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -959.453754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.453754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.453754 (E_RNA)
where:
Base-Base interactions energy: -660.319
where: short stacking energy: -292.699
Base-Backbone interact. energy: -1.239
local terms energy: -297.895993
where:
bonds (distance) C4'-P energy: -53.156
bonds (distance) P-C4' energy: -55.102
flat angles C4'-P-C4' energy: -55.049
flat angles P-C4'-P energy: -46.834
tors. eta vs tors. theta energy: -87.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -925.812483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.812483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.812483 (E_RNA)
where:
Base-Base interactions energy: -650.716
where: short stacking energy: -285.569
Base-Backbone interact. energy: -1.145
local terms energy: -273.951458
where:
bonds (distance) C4'-P energy: -50.045
bonds (distance) P-C4' energy: -39.125
flat angles C4'-P-C4' energy: -60.941
flat angles P-C4'-P energy: -38.845
tors. eta vs tors. theta energy: -84.996
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: 6
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -866.764848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.764848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.764848 (E_RNA)
where:
Base-Base interactions energy: -584.631
where: short stacking energy: -262.100
Base-Backbone interact. energy: -1.712
local terms energy: -280.421705
where:
bonds (distance) C4'-P energy: -53.786
bonds (distance) P-C4' energy: -54.926
flat angles C4'-P-C4' energy: -58.843
flat angles P-C4'-P energy: -42.516
tors. eta vs tors. theta energy: -70.351
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: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -866.732652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.732652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.732652 (E_RNA)
where:
Base-Base interactions energy: -598.644
where: short stacking energy: -237.294
Base-Backbone interact. energy: 0.411
local terms energy: -268.499568
where:
bonds (distance) C4'-P energy: -50.425
bonds (distance) P-C4' energy: -41.122
flat angles C4'-P-C4' energy: -56.722
flat angles P-C4'-P energy: -42.717
tors. eta vs tors. theta energy: -77.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -828.367952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.367952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.367952 (E_RNA)
where:
Base-Base interactions energy: -563.116
where: short stacking energy: -260.569
Base-Backbone interact. energy: 1.797
local terms energy: -267.049757
where:
bonds (distance) C4'-P energy: -54.397
bonds (distance) P-C4' energy: -50.441
flat angles C4'-P-C4' energy: -51.377
flat angles P-C4'-P energy: -32.536
tors. eta vs tors. theta energy: -78.299
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: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -748.824131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.824131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.824131 (E_RNA)
where:
Base-Base interactions energy: -515.960
where: short stacking energy: -229.671
Base-Backbone interact. energy: -0.523
local terms energy: -232.341895
where:
bonds (distance) C4'-P energy: -38.823
bonds (distance) P-C4' energy: -47.166
flat angles C4'-P-C4' energy: -56.057
flat angles P-C4'-P energy: -34.094
tors. eta vs tors. theta energy: -56.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -706.320568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.320568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.320568 (E_RNA)
where:
Base-Base interactions energy: -482.213
where: short stacking energy: -208.009
Base-Backbone interact. energy: -1.151
local terms energy: -222.956353
where:
bonds (distance) C4'-P energy: -34.071
bonds (distance) P-C4' energy: -52.936
flat angles C4'-P-C4' energy: -50.741
flat angles P-C4'-P energy: -30.642
tors. eta vs tors. theta energy: -54.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -634.549962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.549962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.549962 (E_RNA)
where:
Base-Base interactions energy: -435.140
where: short stacking energy: -194.523
Base-Backbone interact. energy: -0.798
local terms energy: -198.611386
where:
bonds (distance) C4'-P energy: -39.887
bonds (distance) P-C4' energy: -33.938
flat angles C4'-P-C4' energy: -39.708
flat angles P-C4'-P energy: -32.597
tors. eta vs tors. theta energy: -52.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -662.609180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.609180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.609180 (E_RNA)
where:
Base-Base interactions energy: -463.076
where: short stacking energy: -189.982
Base-Backbone interact. energy: 4.511
local terms energy: -204.044708
where:
bonds (distance) C4'-P energy: -39.063
bonds (distance) P-C4' energy: -38.704
flat angles C4'-P-C4' energy: -46.999
flat angles P-C4'-P energy: -30.644
tors. eta vs tors. theta energy: -48.635
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: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -314.252754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.252754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.252754 (E_RNA)
where:
Base-Base interactions energy: -175.885
where: short stacking energy: -106.439
Base-Backbone interact. energy: 0.488
local terms energy: -138.856661
where:
bonds (distance) C4'-P energy: -32.702
bonds (distance) P-C4' energy: -43.195
flat angles C4'-P-C4' energy: -37.119
flat angles P-C4'-P energy: -19.397
tors. eta vs tors. theta energy: -6.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -952.815820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.815820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.815820 (E_RNA)
where:
Base-Base interactions energy: -655.426
where: short stacking energy: -293.517
Base-Backbone interact. energy: -1.282
local terms energy: -296.107544
where:
bonds (distance) C4'-P energy: -50.774
bonds (distance) P-C4' energy: -49.821
flat angles C4'-P-C4' energy: -63.495
flat angles P-C4'-P energy: -44.725
tors. eta vs tors. theta energy: -87.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -945.845719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.845719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.845719 (E_RNA)
where:
Base-Base interactions energy: -661.672
where: short stacking energy: -291.352
Base-Backbone interact. energy: -0.807
local terms energy: -283.366502
where:
bonds (distance) C4'-P energy: -53.219
bonds (distance) P-C4' energy: -48.790
flat angles C4'-P-C4' energy: -58.490
flat angles P-C4'-P energy: -37.536
tors. eta vs tors. theta energy: -85.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -874.283479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.283479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.283479 (E_RNA)
where:
Base-Base interactions energy: -587.655
where: short stacking energy: -261.199
Base-Backbone interact. energy: -0.510
local terms energy: -286.118207
where:
bonds (distance) C4'-P energy: -56.388
bonds (distance) P-C4' energy: -51.459
flat angles C4'-P-C4' energy: -60.996
flat angles P-C4'-P energy: -38.000
tors. eta vs tors. theta energy: -79.275
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: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -845.450612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.450612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.450612 (E_RNA)
where:
Base-Base interactions energy: -592.556
where: short stacking energy: -239.663
Base-Backbone interact. energy: -1.274
local terms energy: -251.619741
where:
bonds (distance) C4'-P energy: -51.284
bonds (distance) P-C4' energy: -48.822
flat angles C4'-P-C4' energy: -53.820
flat angles P-C4'-P energy: -28.444
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: 5, replica: 2
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -833.632840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.632840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.632840 (E_RNA)
where:
Base-Base interactions energy: -572.616
where: short stacking energy: -254.858
Base-Backbone interact. energy: -1.206
local terms energy: -259.811186
where:
bonds (distance) C4'-P energy: -51.144
bonds (distance) P-C4' energy: -39.160
flat angles C4'-P-C4' energy: -52.878
flat angles P-C4'-P energy: -39.293
tors. eta vs tors. theta energy: -77.336
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: 5
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -774.317938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.317938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.317938 (E_RNA)
where:
Base-Base interactions energy: -531.856
where: short stacking energy: -221.442
Base-Backbone interact. energy: 0.537
local terms energy: -242.998719
where:
bonds (distance) C4'-P energy: -46.800
bonds (distance) P-C4' energy: -50.941
flat angles C4'-P-C4' energy: -50.290
flat angles P-C4'-P energy: -34.642
tors. eta vs tors. theta energy: -60.326
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: 367
Temperature: 1.200000
Total energy: -680.424759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.424759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.424759 (E_RNA)
where:
Base-Base interactions energy: -455.152
where: short stacking energy: -201.679
Base-Backbone interact. energy: 2.953
local terms energy: -228.225917
where:
bonds (distance) C4'-P energy: -46.071
bonds (distance) P-C4' energy: -46.621
flat angles C4'-P-C4' energy: -51.771
flat angles P-C4'-P energy: -39.487
tors. eta vs tors. theta energy: -44.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -709.812144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.812144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.812144 (E_RNA)
where:
Base-Base interactions energy: -473.465
where: short stacking energy: -197.453
Base-Backbone interact. energy: 0.585
local terms energy: -236.932081
where:
bonds (distance) C4'-P energy: -41.232
bonds (distance) P-C4' energy: -47.639
flat angles C4'-P-C4' energy: -46.120
flat angles P-C4'-P energy: -41.021
tors. eta vs tors. theta energy: -60.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -653.654295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.654295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.654295 (E_RNA)
where:
Base-Base interactions energy: -436.281
where: short stacking energy: -180.308
Base-Backbone interact. energy: -0.170
local terms energy: -217.203136
where:
bonds (distance) C4'-P energy: -39.694
bonds (distance) P-C4' energy: -45.502
flat angles C4'-P-C4' energy: -52.268
flat angles P-C4'-P energy: -28.771
tors. eta vs tors. theta energy: -50.968
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: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -234.929845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.929845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.929845 (E_RNA)
where:
Base-Base interactions energy: -79.520
where: short stacking energy: -58.089
Base-Backbone interact. energy: 0.145
local terms energy: -155.555066
where:
bonds (distance) C4'-P energy: -53.066
bonds (distance) P-C4' energy: -39.780
flat angles C4'-P-C4' energy: -43.531
flat angles P-C4'-P energy: -28.139
tors. eta vs tors. theta energy: 8.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -955.273906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.273906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.273906 (E_RNA)
where:
Base-Base interactions energy: -664.737
where: short stacking energy: -289.922
Base-Backbone interact. energy: -0.728
local terms energy: -289.808167
where:
bonds (distance) C4'-P energy: -49.328
bonds (distance) P-C4' energy: -51.872
flat angles C4'-P-C4' energy: -62.641
flat angles P-C4'-P energy: -40.642
tors. eta vs tors. theta energy: -85.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -938.091991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.091991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.091991 (E_RNA)
where:
Base-Base interactions energy: -644.280
where: short stacking energy: -274.519
Base-Backbone interact. energy: -1.485
local terms energy: -292.327744
where:
bonds (distance) C4'-P energy: -56.489
bonds (distance) P-C4' energy: -55.103
flat angles C4'-P-C4' energy: -58.907
flat angles P-C4'-P energy: -35.898
tors. eta vs tors. theta energy: -85.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -886.992046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.992046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.992046 (E_RNA)
where:
Base-Base interactions energy: -614.127
where: short stacking energy: -275.491
Base-Backbone interact. energy: -1.315
local terms energy: -271.550505
where:
bonds (distance) C4'-P energy: -50.216
bonds (distance) P-C4' energy: -48.641
flat angles C4'-P-C4' energy: -54.697
flat angles P-C4'-P energy: -37.543
tors. eta vs tors. theta energy: -80.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -855.933343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.933343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.933343 (E_RNA)
where:
Base-Base interactions energy: -586.267
where: short stacking energy: -238.973
Base-Backbone interact. energy: -0.448
local terms energy: -269.218754
where:
bonds (distance) C4'-P energy: -53.439
bonds (distance) P-C4' energy: -60.440
flat angles C4'-P-C4' energy: -52.586
flat angles P-C4'-P energy: -34.762
tors. eta vs tors. theta energy: -67.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -840.698374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.698374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.698374 (E_RNA)
where:
Base-Base interactions energy: -579.808
where: short stacking energy: -245.896
Base-Backbone interact. energy: 0.043
local terms energy: -260.933153
where:
bonds (distance) C4'-P energy: -47.272
bonds (distance) P-C4' energy: -49.470
flat angles C4'-P-C4' energy: -55.120
flat angles P-C4'-P energy: -35.545
tors. eta vs tors. theta energy: -73.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -754.553386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.553386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.553386 (E_RNA)
where:
Base-Base interactions energy: -510.449
where: short stacking energy: -209.959
Base-Backbone interact. energy: -2.346
local terms energy: -241.758762
where:
bonds (distance) C4'-P energy: -53.706
bonds (distance) P-C4' energy: -40.735
flat angles C4'-P-C4' energy: -50.794
flat angles P-C4'-P energy: -34.994
tors. eta vs tors. theta energy: -61.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -750.868425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.868425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.868425 (E_RNA)
where:
Base-Base interactions energy: -505.334
where: short stacking energy: -218.813
Base-Backbone interact. energy: -0.738
local terms energy: -244.796863
where:
bonds (distance) C4'-P energy: -45.665
bonds (distance) P-C4' energy: -38.866
flat angles C4'-P-C4' energy: -58.152
flat angles P-C4'-P energy: -37.915
tors. eta vs tors. theta energy: -64.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -615.017870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.017870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.017870 (E_RNA)
where:
Base-Base interactions energy: -393.873
where: short stacking energy: -173.475
Base-Backbone interact. energy: -2.006
local terms energy: -219.138931
where:
bonds (distance) C4'-P energy: -31.896
bonds (distance) P-C4' energy: -56.713
flat angles C4'-P-C4' energy: -52.295
flat angles P-C4'-P energy: -30.859
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: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -647.429488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.429488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.429488 (E_RNA)
where:
Base-Base interactions energy: -429.106
where: short stacking energy: -185.168
Base-Backbone interact. energy: 0.796
local terms energy: -219.119562
where:
bonds (distance) C4'-P energy: -47.089
bonds (distance) P-C4' energy: -42.619
flat angles C4'-P-C4' energy: -49.206
flat angles P-C4'-P energy: -28.347
tors. eta vs tors. theta energy: -51.858
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: 368
Temperature: 1.350000
Total energy: -278.146327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.146327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.146327 (E_RNA)
where:
Base-Base interactions energy: -125.768
where: short stacking energy: -56.029
Base-Backbone interact. energy: 3.054
local terms energy: -155.432193
where:
bonds (distance) C4'-P energy: -54.074
bonds (distance) P-C4' energy: -48.987
flat angles C4'-P-C4' energy: -30.407
flat angles P-C4'-P energy: -27.572
tors. eta vs tors. theta energy: 5.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -957.942448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.942448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.942448 (E_RNA)
where:
Base-Base interactions energy: -661.019
where: short stacking energy: -292.781
Base-Backbone interact. energy: -2.152
local terms energy: -294.771344
where:
bonds (distance) C4'-P energy: -51.473
bonds (distance) P-C4' energy: -49.985
flat angles C4'-P-C4' energy: -59.088
flat angles P-C4'-P energy: -47.891
tors. eta vs tors. theta energy: -86.334
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: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -928.322536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.322536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.322536 (E_RNA)
where:
Base-Base interactions energy: -631.900
where: short stacking energy: -282.568
Base-Backbone interact. energy: -1.510
local terms energy: -294.912389
where:
bonds (distance) C4'-P energy: -55.152
bonds (distance) P-C4' energy: -58.837
flat angles C4'-P-C4' energy: -55.801
flat angles P-C4'-P energy: -40.158
tors. eta vs tors. theta energy: -84.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -859.204296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.204296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.204296 (E_RNA)
where:
Base-Base interactions energy: -589.266
where: short stacking energy: -247.882
Base-Backbone interact. energy: -0.982
local terms energy: -268.955887
where:
bonds (distance) C4'-P energy: -46.524
bonds (distance) P-C4' energy: -49.955
flat angles C4'-P-C4' energy: -59.454
flat angles P-C4'-P energy: -39.417
tors. eta vs tors. theta energy: -73.606
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: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -846.946539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.946539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.946539 (E_RNA)
where:
Base-Base interactions energy: -590.737
where: short stacking energy: -232.625
Base-Backbone interact. energy: -1.898
local terms energy: -254.311290
where:
bonds (distance) C4'-P energy: -54.673
bonds (distance) P-C4' energy: -52.695
flat angles C4'-P-C4' energy: -56.135
flat angles P-C4'-P energy: -30.511
tors. eta vs tors. theta energy: -60.297
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: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -840.615438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.615438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.615438 (E_RNA)
where:
Base-Base interactions energy: -568.635
where: short stacking energy: -239.296
Base-Backbone interact. energy: -0.572
local terms energy: -271.408294
where:
bonds (distance) C4'-P energy: -51.635
bonds (distance) P-C4' energy: -53.550
flat angles C4'-P-C4' energy: -61.507
flat angles P-C4'-P energy: -34.061
tors. eta vs tors. theta energy: -70.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -762.641286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.641286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.641286 (E_RNA)
where:
Base-Base interactions energy: -523.364
where: short stacking energy: -220.124
Base-Backbone interact. energy: 1.434
local terms energy: -240.710673
where:
bonds (distance) C4'-P energy: -46.365
bonds (distance) P-C4' energy: -48.745
flat angles C4'-P-C4' energy: -46.989
flat angles P-C4'-P energy: -39.931
tors. eta vs tors. theta energy: -58.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -726.356591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.356591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.356591 (E_RNA)
where:
Base-Base interactions energy: -497.961
where: short stacking energy: -204.576
Base-Backbone interact. energy: -1.538
local terms energy: -226.857508
where:
bonds (distance) C4'-P energy: -45.101
bonds (distance) P-C4' energy: -39.678
flat angles C4'-P-C4' energy: -58.102
flat angles P-C4'-P energy: -37.134
tors. eta vs tors. theta energy: -46.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -615.645359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.645359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.645359 (E_RNA)
where:
Base-Base interactions energy: -412.120
where: short stacking energy: -179.471
Base-Backbone interact. energy: 0.167
local terms energy: -203.692403
where:
bonds (distance) C4'-P energy: -49.335
bonds (distance) P-C4' energy: -40.106
flat angles C4'-P-C4' energy: -47.291
flat angles P-C4'-P energy: -24.034
tors. eta vs tors. theta energy: -42.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -568.388584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.388584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.388584 (E_RNA)
where:
Base-Base interactions energy: -373.394
where: short stacking energy: -155.836
Base-Backbone interact. energy: -0.569
local terms energy: -194.425543
where:
bonds (distance) C4'-P energy: -39.718
bonds (distance) P-C4' energy: -47.574
flat angles C4'-P-C4' energy: -41.303
flat angles P-C4'-P energy: -28.237
tors. eta vs tors. theta energy: -37.594
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: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -240.400059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.400059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.400059 (E_RNA)
where:
Base-Base interactions energy: -83.449
where: short stacking energy: -62.452
Base-Backbone interact. energy: 3.996
local terms energy: -160.947405
where:
bonds (distance) C4'-P energy: -42.945
bonds (distance) P-C4' energy: -57.289
flat angles C4'-P-C4' energy: -42.148
flat angles P-C4'-P energy: -24.901
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: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -959.256428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.256428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.256428 (E_RNA)
where:
Base-Base interactions energy: -673.789
where: short stacking energy: -289.879
Base-Backbone interact. energy: 1.069
local terms energy: -286.536180
where:
bonds (distance) C4'-P energy: -47.721
bonds (distance) P-C4' energy: -49.432
flat angles C4'-P-C4' energy: -56.371
flat angles P-C4'-P energy: -46.151
tors. eta vs tors. theta energy: -86.861
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: 370
Temperature: 0.950000
Total energy: -932.091335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.091335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.091335 (E_RNA)
where:
Base-Base interactions energy: -636.328
where: short stacking energy: -283.886
Base-Backbone interact. energy: -0.232
local terms energy: -295.530615
where:
bonds (distance) C4'-P energy: -51.400
bonds (distance) P-C4' energy: -53.045
flat angles C4'-P-C4' energy: -62.675
flat angles P-C4'-P energy: -41.115
tors. eta vs tors. theta energy: -87.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -865.683834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.683834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.683834 (E_RNA)
where:
Base-Base interactions energy: -607.830
where: short stacking energy: -241.399
Base-Backbone interact. energy: -1.828
local terms energy: -256.026234
where:
bonds (distance) C4'-P energy: -40.102
bonds (distance) P-C4' energy: -44.918
flat angles C4'-P-C4' energy: -54.434
flat angles P-C4'-P energy: -44.341
tors. eta vs tors. theta energy: -72.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -823.905008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.905008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.905008 (E_RNA)
where:
Base-Base interactions energy: -554.397
where: short stacking energy: -242.037
Base-Backbone interact. energy: -0.127
local terms energy: -269.381152
where:
bonds (distance) C4'-P energy: -51.410
bonds (distance) P-C4' energy: -53.503
flat angles C4'-P-C4' energy: -56.672
flat angles P-C4'-P energy: -31.972
tors. eta vs tors. theta energy: -75.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -875.800983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.800983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.800983 (E_RNA)
where:
Base-Base interactions energy: -596.800
where: short stacking energy: -257.193
Base-Backbone interact. energy: -1.149
local terms energy: -277.852375
where:
bonds (distance) C4'-P energy: -46.116
bonds (distance) P-C4' energy: -61.177
flat angles C4'-P-C4' energy: -53.872
flat angles P-C4'-P energy: -40.012
tors. eta vs tors. theta energy: -76.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -777.096332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.096332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.096332 (E_RNA)
where:
Base-Base interactions energy: -532.572
where: short stacking energy: -219.442
Base-Backbone interact. energy: -0.079
local terms energy: -244.445153
where:
bonds (distance) C4'-P energy: -42.702
bonds (distance) P-C4' energy: -45.974
flat angles C4'-P-C4' energy: -58.498
flat angles P-C4'-P energy: -34.030
tors. eta vs tors. theta energy: -63.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -699.795479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.795479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.795479 (E_RNA)
where:
Base-Base interactions energy: -478.992
where: short stacking energy: -194.296
Base-Backbone interact. energy: -1.664
local terms energy: -219.139633
where:
bonds (distance) C4'-P energy: -43.271
bonds (distance) P-C4' energy: -49.518
flat angles C4'-P-C4' energy: -49.293
flat angles P-C4'-P energy: -27.425
tors. eta vs tors. theta energy: -49.632
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: 370
Temperature: 1.250000
Total energy: -658.166343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.166343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.166343 (E_RNA)
where:
Base-Base interactions energy: -427.316
where: short stacking energy: -192.717
Base-Backbone interact. energy: -0.505
local terms energy: -230.345393
where:
bonds (distance) C4'-P energy: -45.861
bonds (distance) P-C4' energy: -46.669
flat angles C4'-P-C4' energy: -54.549
flat angles P-C4'-P energy: -32.523
tors. eta vs tors. theta energy: -50.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -610.833247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.833247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.833247 (E_RNA)
where:
Base-Base interactions energy: -383.257
where: short stacking energy: -173.441
Base-Backbone interact. energy: 0.390
local terms energy: -227.965539
where:
bonds (distance) C4'-P energy: -50.124
bonds (distance) P-C4' energy: -51.912
flat angles C4'-P-C4' energy: -47.550
flat angles P-C4'-P energy: -29.004
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: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -221.366107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.366107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.366107 (E_RNA)
where:
Base-Base interactions energy: -61.738
where: short stacking energy: -56.058
Base-Backbone interact. energy: -2.032
local terms energy: -157.595810
where:
bonds (distance) C4'-P energy: -53.684
bonds (distance) P-C4' energy: -47.432
flat angles C4'-P-C4' energy: -38.640
flat angles P-C4'-P energy: -24.740
tors. eta vs tors. theta energy: 6.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -958.740285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.740285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.740285 (E_RNA)
where:
Base-Base interactions energy: -673.114
where: short stacking energy: -270.948
Base-Backbone interact. energy: 0.206
local terms energy: -285.832887
where:
bonds (distance) C4'-P energy: -45.671
bonds (distance) P-C4' energy: -55.113
flat angles C4'-P-C4' energy: -61.860
flat angles P-C4'-P energy: -45.400
tors. eta vs tors. theta energy: -77.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -921.793599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.793599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.793599 (E_RNA)
where:
Base-Base interactions energy: -633.006
where: short stacking energy: -273.165
Base-Backbone interact. energy: -1.235
local terms energy: -287.553309
where:
bonds (distance) C4'-P energy: -57.250
bonds (distance) P-C4' energy: -53.075
flat angles C4'-P-C4' energy: -54.867
flat angles P-C4'-P energy: -40.269
tors. eta vs tors. theta energy: -82.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -863.980728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.980728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.980728 (E_RNA)
where:
Base-Base interactions energy: -590.646
where: short stacking energy: -250.703
Base-Backbone interact. energy: -1.618
local terms energy: -271.716529
where:
bonds (distance) C4'-P energy: -38.906
bonds (distance) P-C4' energy: -57.985
flat angles C4'-P-C4' energy: -60.654
flat angles P-C4'-P energy: -39.827
tors. eta vs tors. theta energy: -74.344
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: 4, replica: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -868.408456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.408456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.408456 (E_RNA)
where:
Base-Base interactions energy: -597.197
where: short stacking energy: -261.013
Base-Backbone interact. energy: 2.348
local terms energy: -273.559294
where:
bonds (distance) C4'-P energy: -45.360
bonds (distance) P-C4' energy: -50.591
flat angles C4'-P-C4' energy: -61.296
flat angles P-C4'-P energy: -38.876
tors. eta vs tors. theta energy: -77.437
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: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -818.943868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.943868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.943868 (E_RNA)
where:
Base-Base interactions energy: -561.504
where: short stacking energy: -252.541
Base-Backbone interact. energy: -2.162
local terms energy: -255.277630
where:
bonds (distance) C4'-P energy: -46.213
bonds (distance) P-C4' energy: -48.624
flat angles C4'-P-C4' energy: -51.956
flat angles P-C4'-P energy: -34.547
tors. eta vs tors. theta energy: -73.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -783.593377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.593377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.593377 (E_RNA)
where:
Base-Base interactions energy: -527.847
where: short stacking energy: -223.704
Base-Backbone interact. energy: -0.697
local terms energy: -255.048494
where:
bonds (distance) C4'-P energy: -50.068
bonds (distance) P-C4' energy: -52.445
flat angles C4'-P-C4' energy: -48.650
flat angles P-C4'-P energy: -35.072
tors. eta vs tors. theta energy: -68.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -702.986342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.986342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.986342 (E_RNA)
where:
Base-Base interactions energy: -476.798
where: short stacking energy: -194.494
Base-Backbone interact. energy: -1.737
local terms energy: -224.451949
where:
bonds (distance) C4'-P energy: -50.532
bonds (distance) P-C4' energy: -45.353
flat angles C4'-P-C4' energy: -53.540
flat angles P-C4'-P energy: -27.446
tors. eta vs tors. theta energy: -47.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -637.214359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.214359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.214359 (E_RNA)
where:
Base-Base interactions energy: -427.091
where: short stacking energy: -191.027
Base-Backbone interact. energy: 2.623
local terms energy: -212.746111
where:
bonds (distance) C4'-P energy: -49.462
bonds (distance) P-C4' energy: -49.061
flat angles C4'-P-C4' energy: -46.559
flat angles P-C4'-P energy: -27.373
tors. eta vs tors. theta energy: -40.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -614.942924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.942924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.942924 (E_RNA)
where:
Base-Base interactions energy: -394.594
where: short stacking energy: -179.151
Base-Backbone interact. energy: -0.479
local terms energy: -219.869956
where:
bonds (distance) C4'-P energy: -44.202
bonds (distance) P-C4' energy: -44.482
flat angles C4'-P-C4' energy: -46.535
flat angles P-C4'-P energy: -30.176
tors. eta vs tors. theta energy: -54.475
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: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -224.317565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.317565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.317565 (E_RNA)
where:
Base-Base interactions energy: -70.098
where: short stacking energy: -68.046
Base-Backbone interact. energy: -0.978
local terms energy: -153.241508
where:
bonds (distance) C4'-P energy: -34.626
bonds (distance) P-C4' energy: -52.194
flat angles C4'-P-C4' energy: -40.208
flat angles P-C4'-P energy: -29.179
tors. eta vs tors. theta energy: 2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -933.424410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.424410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.424410 (E_RNA)
where:
Base-Base interactions energy: -639.406
where: short stacking energy: -279.803
Base-Backbone interact. energy: -1.387
local terms energy: -292.631033
where:
bonds (distance) C4'-P energy: -56.584
bonds (distance) P-C4' energy: -54.785
flat angles C4'-P-C4' energy: -56.471
flat angles P-C4'-P energy: -42.805
tors. eta vs tors. theta energy: -81.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -964.979018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.979018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.979018 (E_RNA)
where:
Base-Base interactions energy: -699.318
where: short stacking energy: -285.584
Base-Backbone interact. energy: -1.190
local terms energy: -264.471441
where:
bonds (distance) C4'-P energy: -38.251
bonds (distance) P-C4' energy: -47.940
flat angles C4'-P-C4' energy: -60.377
flat angles P-C4'-P energy: -37.465
tors. eta vs tors. theta energy: -80.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -878.395877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.395877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.395877 (E_RNA)
where:
Base-Base interactions energy: -610.638
where: short stacking energy: -254.992
Base-Backbone interact. energy: -0.613
local terms energy: -267.144341
where:
bonds (distance) C4'-P energy: -44.373
bonds (distance) P-C4' energy: -55.335
flat angles C4'-P-C4' energy: -58.283
flat angles P-C4'-P energy: -34.396
tors. eta vs tors. theta energy: -74.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -866.320690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.320690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.320690 (E_RNA)
where:
Base-Base interactions energy: -594.332
where: short stacking energy: -256.893
Base-Backbone interact. energy: -1.667
local terms energy: -270.321515
where:
bonds (distance) C4'-P energy: -51.766
bonds (distance) P-C4' energy: -48.780
flat angles C4'-P-C4' energy: -50.296
flat angles P-C4'-P energy: -44.115
tors. eta vs tors. theta energy: -75.364
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: 5, replica: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -822.630861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.630861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.630861 (E_RNA)
where:
Base-Base interactions energy: -575.509
where: short stacking energy: -249.549
Base-Backbone interact. energy: -0.423
local terms energy: -246.699317
where:
bonds (distance) C4'-P energy: -55.072
bonds (distance) P-C4' energy: -41.710
flat angles C4'-P-C4' energy: -46.443
flat angles P-C4'-P energy: -28.463
tors. eta vs tors. theta energy: -75.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -790.866952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.866952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.866952 (E_RNA)
where:
Base-Base interactions energy: -546.377
where: short stacking energy: -233.612
Base-Backbone interact. energy: -0.966
local terms energy: -243.523144
where:
bonds (distance) C4'-P energy: -41.251
bonds (distance) P-C4' energy: -51.906
flat angles C4'-P-C4' energy: -48.865
flat angles P-C4'-P energy: -34.120
tors. eta vs tors. theta energy: -67.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -718.192546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.192546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.192546 (E_RNA)
where:
Base-Base interactions energy: -499.610
where: short stacking energy: -188.845
Base-Backbone interact. energy: -0.856
local terms energy: -217.727201
where:
bonds (distance) C4'-P energy: -36.282
bonds (distance) P-C4' energy: -44.898
flat angles C4'-P-C4' energy: -49.852
flat angles P-C4'-P energy: -35.569
tors. eta vs tors. theta energy: -51.126
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: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -652.817729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.817729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.817729 (E_RNA)
where:
Base-Base interactions energy: -456.423
where: short stacking energy: -176.903
Base-Backbone interact. energy: -0.552
local terms energy: -195.842748
where:
bonds (distance) C4'-P energy: -34.818
bonds (distance) P-C4' energy: -46.326
flat angles C4'-P-C4' energy: -37.762
flat angles P-C4'-P energy: -36.884
tors. eta vs tors. theta energy: -40.053
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: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -629.366108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.366108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.366108 (E_RNA)
where:
Base-Base interactions energy: -414.156
where: short stacking energy: -178.473
Base-Backbone interact. energy: -1.717
local terms energy: -213.493461
where:
bonds (distance) C4'-P energy: -34.633
bonds (distance) P-C4' energy: -34.719
flat angles C4'-P-C4' energy: -55.730
flat angles P-C4'-P energy: -34.589
tors. eta vs tors. theta energy: -53.822
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: 10, replica: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -239.788067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.788067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.788067 (E_RNA)
where:
Base-Base interactions energy: -97.093
where: short stacking energy: -59.464
Base-Backbone interact. energy: -0.590
local terms energy: -142.105301
where:
bonds (distance) C4'-P energy: -37.150
bonds (distance) P-C4' energy: -51.628
flat angles C4'-P-C4' energy: -35.811
flat angles P-C4'-P energy: -25.653
tors. eta vs tors. theta energy: 8.137
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: 373
Temperature: 0.900000
Total energy: -954.134278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.134278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.134278 (E_RNA)
where:
Base-Base interactions energy: -667.604
where: short stacking energy: -301.970
Base-Backbone interact. energy: -0.796
local terms energy: -285.734292
where:
bonds (distance) C4'-P energy: -45.575
bonds (distance) P-C4' energy: -47.146
flat angles C4'-P-C4' energy: -60.662
flat angles P-C4'-P energy: -44.367
tors. eta vs tors. theta energy: -87.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -956.130161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.130161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.130161 (E_RNA)
where:
Base-Base interactions energy: -670.136
where: short stacking energy: -285.253
Base-Backbone interact. energy: 1.518
local terms energy: -287.511687
where:
bonds (distance) C4'-P energy: -45.116
bonds (distance) P-C4' energy: -54.855
flat angles C4'-P-C4' energy: -61.983
flat angles P-C4'-P energy: -40.325
tors. eta vs tors. theta energy: -85.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -869.124364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.124364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.124364 (E_RNA)
where:
Base-Base interactions energy: -600.219
where: short stacking energy: -253.089
Base-Backbone interact. energy: -0.535
local terms energy: -268.370471
where:
bonds (distance) C4'-P energy: -38.995
bonds (distance) P-C4' energy: -50.940
flat angles C4'-P-C4' energy: -62.342
flat angles P-C4'-P energy: -39.242
tors. eta vs tors. theta energy: -76.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -868.781986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.781986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.781986 (E_RNA)
where:
Base-Base interactions energy: -609.507
where: short stacking energy: -263.034
Base-Backbone interact. energy: -0.757
local terms energy: -258.518207
where:
bonds (distance) C4'-P energy: -48.122
bonds (distance) P-C4' energy: -45.513
flat angles C4'-P-C4' energy: -54.959
flat angles P-C4'-P energy: -38.134
tors. eta vs tors. theta energy: -71.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -794.315551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.315551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.315551 (E_RNA)
where:
Base-Base interactions energy: -552.678
where: short stacking energy: -238.278
Base-Backbone interact. energy: -0.678
local terms energy: -240.959634
where:
bonds (distance) C4'-P energy: -43.327
bonds (distance) P-C4' energy: -48.352
flat angles C4'-P-C4' energy: -60.657
flat angles P-C4'-P energy: -29.993
tors. eta vs tors. theta energy: -58.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -798.581622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.581622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.581622 (E_RNA)
where:
Base-Base interactions energy: -547.103
where: short stacking energy: -246.540
Base-Backbone interact. energy: -0.214
local terms energy: -251.265005
where:
bonds (distance) C4'-P energy: -37.801
bonds (distance) P-C4' energy: -50.034
flat angles C4'-P-C4' energy: -56.974
flat angles P-C4'-P energy: -31.420
tors. eta vs tors. theta energy: -75.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -726.331384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.331384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.331384 (E_RNA)
where:
Base-Base interactions energy: -491.413
where: short stacking energy: -207.611
Base-Backbone interact. energy: -0.459
local terms energy: -234.459683
where:
bonds (distance) C4'-P energy: -41.151
bonds (distance) P-C4' energy: -49.872
flat angles C4'-P-C4' energy: -57.717
flat angles P-C4'-P energy: -35.683
tors. eta vs tors. theta energy: -50.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -668.163339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.163339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.163339 (E_RNA)
where:
Base-Base interactions energy: -442.253
where: short stacking energy: -179.332
Base-Backbone interact. energy: -1.267
local terms energy: -224.643427
where:
bonds (distance) C4'-P energy: -44.440
bonds (distance) P-C4' energy: -44.813
flat angles C4'-P-C4' energy: -50.388
flat angles P-C4'-P energy: -27.934
tors. eta vs tors. theta energy: -57.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -505.367143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.367143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.367143 (E_RNA)
where:
Base-Base interactions energy: -296.756
where: short stacking energy: -145.945
Base-Backbone interact. energy: -1.337
local terms energy: -207.274674
where:
bonds (distance) C4'-P energy: -39.394
bonds (distance) P-C4' energy: -50.831
flat angles C4'-P-C4' energy: -45.412
flat angles P-C4'-P energy: -36.973
tors. eta vs tors. theta energy: -34.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -290.919607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.919607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.919607 (E_RNA)
where:
Base-Base interactions energy: -141.452
where: short stacking energy: -62.818
Base-Backbone interact. energy: 0.006
local terms energy: -149.473419
where:
bonds (distance) C4'-P energy: -42.197
bonds (distance) P-C4' energy: -46.136
flat angles C4'-P-C4' energy: -43.794
flat angles P-C4'-P energy: -25.488
tors. eta vs tors. theta energy: 8.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -943.790889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.790889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.790889 (E_RNA)
where:
Base-Base interactions energy: -671.600
where: short stacking energy: -275.355
Base-Backbone interact. energy: -1.943
local terms energy: -270.247650
where:
bonds (distance) C4'-P energy: -54.579
bonds (distance) P-C4' energy: -47.621
flat angles C4'-P-C4' energy: -57.265
flat angles P-C4'-P energy: -33.542
tors. eta vs tors. theta energy: -77.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -932.437183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.437183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.437183 (E_RNA)
where:
Base-Base interactions energy: -635.010
where: short stacking energy: -276.844
Base-Backbone interact. energy: 0.186
local terms energy: -297.613168
where:
bonds (distance) C4'-P energy: -56.450
bonds (distance) P-C4' energy: -54.996
flat angles C4'-P-C4' energy: -63.621
flat angles P-C4'-P energy: -40.447
tors. eta vs tors. theta energy: -82.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -880.853270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.853270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.853270 (E_RNA)
where:
Base-Base interactions energy: -587.845
where: short stacking energy: -266.106
Base-Backbone interact. energy: -0.173
local terms energy: -292.835440
where:
bonds (distance) C4'-P energy: -58.240
bonds (distance) P-C4' energy: -51.646
flat angles C4'-P-C4' energy: -58.383
flat angles P-C4'-P energy: -44.716
tors. eta vs tors. theta energy: -79.849
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: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -851.076142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.076142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.076142 (E_RNA)
where:
Base-Base interactions energy: -580.196
where: short stacking energy: -243.344
Base-Backbone interact. energy: 0.106
local terms energy: -270.986805
where:
bonds (distance) C4'-P energy: -50.989
bonds (distance) P-C4' energy: -49.042
flat angles C4'-P-C4' energy: -53.515
flat angles P-C4'-P energy: -41.797
tors. eta vs tors. theta energy: -75.645
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: 374
Temperature: 1.100000
Total energy: -805.556187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.556187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.556187 (E_RNA)
where:
Base-Base interactions energy: -547.351
where: short stacking energy: -234.216
Base-Backbone interact. energy: -0.503
local terms energy: -257.702331
where:
bonds (distance) C4'-P energy: -43.292
bonds (distance) P-C4' energy: -54.500
flat angles C4'-P-C4' energy: -53.802
flat angles P-C4'-P energy: -39.437
tors. eta vs tors. theta energy: -66.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -786.024897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.024897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.024897 (E_RNA)
where:
Base-Base interactions energy: -550.137
where: short stacking energy: -223.475
Base-Backbone interact. energy: -0.453
local terms energy: -235.434491
where:
bonds (distance) C4'-P energy: -40.614
bonds (distance) P-C4' energy: -50.983
flat angles C4'-P-C4' energy: -46.095
flat angles P-C4'-P energy: -41.981
tors. eta vs tors. theta energy: -55.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -733.171280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.171280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.171280 (E_RNA)
where:
Base-Base interactions energy: -504.820
where: short stacking energy: -204.530
Base-Backbone interact. energy: 3.958
local terms energy: -232.309585
where:
bonds (distance) C4'-P energy: -36.648
bonds (distance) P-C4' energy: -51.870
flat angles C4'-P-C4' energy: -48.950
flat angles P-C4'-P energy: -40.084
tors. eta vs tors. theta energy: -54.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -659.452315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.452315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.452315 (E_RNA)
where:
Base-Base interactions energy: -437.979
where: short stacking energy: -187.514
Base-Backbone interact. energy: -0.192
local terms energy: -221.281216
where:
bonds (distance) C4'-P energy: -37.058
bonds (distance) P-C4' energy: -44.491
flat angles C4'-P-C4' energy: -53.184
flat angles P-C4'-P energy: -30.462
tors. eta vs tors. theta energy: -56.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -518.580717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.580717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.580717 (E_RNA)
where:
Base-Base interactions energy: -312.073
where: short stacking energy: -138.435
Base-Backbone interact. energy: -0.466
local terms energy: -206.041671
where:
bonds (distance) C4'-P energy: -50.674
bonds (distance) P-C4' energy: -46.833
flat angles C4'-P-C4' energy: -44.098
flat angles P-C4'-P energy: -35.784
tors. eta vs tors. theta energy: -28.653
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: 374
Temperature: 1.350000
Total energy: -282.539555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.539555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.539555 (E_RNA)
where:
Base-Base interactions energy: -129.770
where: short stacking energy: -76.764
Base-Backbone interact. energy: 2.702
local terms energy: -155.471475
where:
bonds (distance) C4'-P energy: -44.857
bonds (distance) P-C4' energy: -46.056
flat angles C4'-P-C4' energy: -30.855
flat angles P-C4'-P energy: -27.220
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -956.441059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.441059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.441059 (E_RNA)
where:
Base-Base interactions energy: -668.274
where: short stacking energy: -288.180
Base-Backbone interact. energy: -1.327
local terms energy: -286.840147
where:
bonds (distance) C4'-P energy: -47.399
bonds (distance) P-C4' energy: -49.029
flat angles C4'-P-C4' energy: -63.276
flat angles P-C4'-P energy: -44.190
tors. eta vs tors. theta energy: -82.946
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: 375
Temperature: 0.950000
Total energy: -933.390279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.390279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.390279 (E_RNA)
where:
Base-Base interactions energy: -645.829
where: short stacking energy: -277.585
Base-Backbone interact. energy: -0.186
local terms energy: -287.375558
where:
bonds (distance) C4'-P energy: -48.786
bonds (distance) P-C4' energy: -51.571
flat angles C4'-P-C4' energy: -68.220
flat angles P-C4'-P energy: -41.353
tors. eta vs tors. theta energy: -77.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -890.615322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.615322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.615322 (E_RNA)
where:
Base-Base interactions energy: -631.781
where: short stacking energy: -280.394
Base-Backbone interact. energy: 0.496
local terms energy: -259.330584
where:
bonds (distance) C4'-P energy: -47.934
bonds (distance) P-C4' energy: -45.296
flat angles C4'-P-C4' energy: -48.491
flat angles P-C4'-P energy: -39.942
tors. eta vs tors. theta energy: -77.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -821.901613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.901613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.901613 (E_RNA)
where:
Base-Base interactions energy: -565.627
where: short stacking energy: -236.114
Base-Backbone interact. energy: -1.137
local terms energy: -255.137427
where:
bonds (distance) C4'-P energy: -53.622
bonds (distance) P-C4' energy: -40.431
flat angles C4'-P-C4' energy: -51.655
flat angles P-C4'-P energy: -42.849
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: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -793.383246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.383246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.383246 (E_RNA)
where:
Base-Base interactions energy: -544.248
where: short stacking energy: -231.639
Base-Backbone interact. energy: 0.864
local terms energy: -249.998377
where:
bonds (distance) C4'-P energy: -43.609
bonds (distance) P-C4' energy: -46.428
flat angles C4'-P-C4' energy: -54.541
flat angles P-C4'-P energy: -45.442
tors. eta vs tors. theta energy: -59.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -746.946707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.946707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.946707 (E_RNA)
where:
Base-Base interactions energy: -514.667
where: short stacking energy: -207.205
Base-Backbone interact. energy: 3.751
local terms energy: -236.031196
where:
bonds (distance) C4'-P energy: -40.754
bonds (distance) P-C4' energy: -46.222
flat angles C4'-P-C4' energy: -55.553
flat angles P-C4'-P energy: -32.351
tors. eta vs tors. theta energy: -61.151
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: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -745.172508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.172508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.172508 (E_RNA)
where:
Base-Base interactions energy: -520.495
where: short stacking energy: -207.283
Base-Backbone interact. energy: 0.303
local terms energy: -224.981429
where:
bonds (distance) C4'-P energy: -40.784
bonds (distance) P-C4' energy: -55.665
flat angles C4'-P-C4' energy: -43.250
flat angles P-C4'-P energy: -35.422
tors. eta vs tors. theta energy: -49.859
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: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -656.929138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.929138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.929138 (E_RNA)
where:
Base-Base interactions energy: -431.784
where: short stacking energy: -184.984
Base-Backbone interact. energy: -0.336
local terms energy: -224.809073
where:
bonds (distance) C4'-P energy: -46.648
bonds (distance) P-C4' energy: -47.836
flat angles C4'-P-C4' energy: -48.884
flat angles P-C4'-P energy: -32.808
tors. eta vs tors. theta energy: -48.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -473.657547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.657547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.657547 (E_RNA)
where:
Base-Base interactions energy: -297.652
where: short stacking energy: -133.675
Base-Backbone interact. energy: 1.143
local terms energy: -177.149035
where:
bonds (distance) C4'-P energy: -41.581
bonds (distance) P-C4' energy: -41.084
flat angles C4'-P-C4' energy: -37.975
flat angles P-C4'-P energy: -28.985
tors. eta vs tors. theta energy: -27.525
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: 375
Temperature: 1.350000
Total energy: -306.027178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.027178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.027178 (E_RNA)
where:
Base-Base interactions energy: -155.136
where: short stacking energy: -86.144
Base-Backbone interact. energy: -0.239
local terms energy: -150.652458
where:
bonds (distance) C4'-P energy: -45.030
bonds (distance) P-C4' energy: -47.978
flat angles C4'-P-C4' energy: -31.110
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -12.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -929.355946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.355946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.355946 (E_RNA)
where:
Base-Base interactions energy: -648.389
where: short stacking energy: -287.920
Base-Backbone interact. energy: -0.359
local terms energy: -280.607829
where:
bonds (distance) C4'-P energy: -45.037
bonds (distance) P-C4' energy: -51.667
flat angles C4'-P-C4' energy: -57.437
flat angles P-C4'-P energy: -43.435
tors. eta vs tors. theta energy: -83.031
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: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -933.842158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.842158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.842158 (E_RNA)
where:
Base-Base interactions energy: -636.296
where: short stacking energy: -292.076
Base-Backbone interact. energy: 0.958
local terms energy: -298.503638
where:
bonds (distance) C4'-P energy: -55.285
bonds (distance) P-C4' energy: -54.992
flat angles C4'-P-C4' energy: -61.535
flat angles P-C4'-P energy: -42.770
tors. eta vs tors. theta energy: -83.921
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: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -880.325228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.325228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.325228 (E_RNA)
where:
Base-Base interactions energy: -600.222
where: short stacking energy: -260.229
Base-Backbone interact. energy: -0.825
local terms energy: -279.278721
where:
bonds (distance) C4'-P energy: -43.373
bonds (distance) P-C4' energy: -53.168
flat angles C4'-P-C4' energy: -58.894
flat angles P-C4'-P energy: -42.233
tors. eta vs tors. theta energy: -81.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -846.385824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.385824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.385824 (E_RNA)
where:
Base-Base interactions energy: -580.266
where: short stacking energy: -252.198
Base-Backbone interact. energy: -1.973
local terms energy: -264.146616
where:
bonds (distance) C4'-P energy: -44.112
bonds (distance) P-C4' energy: -56.354
flat angles C4'-P-C4' energy: -49.270
flat angles P-C4'-P energy: -39.068
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: 5, replica: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -765.433460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.433460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.433460 (E_RNA)
where:
Base-Base interactions energy: -547.286
where: short stacking energy: -230.276
Base-Backbone interact. energy: 1.271
local terms energy: -219.419050
where:
bonds (distance) C4'-P energy: -44.205
bonds (distance) P-C4' energy: -40.984
flat angles C4'-P-C4' energy: -40.156
flat angles P-C4'-P energy: -33.251
tors. eta vs tors. theta energy: -60.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -772.621698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.621698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.621698 (E_RNA)
where:
Base-Base interactions energy: -547.588
where: short stacking energy: -224.998
Base-Backbone interact. energy: -1.770
local terms energy: -223.263914
where:
bonds (distance) C4'-P energy: -39.325
bonds (distance) P-C4' energy: -41.599
flat angles C4'-P-C4' energy: -50.693
flat angles P-C4'-P energy: -31.030
tors. eta vs tors. theta energy: -60.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -734.881775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.881775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.881775 (E_RNA)
where:
Base-Base interactions energy: -499.911
where: short stacking energy: -207.105
Base-Backbone interact. energy: -1.438
local terms energy: -233.533057
where:
bonds (distance) C4'-P energy: -48.619
bonds (distance) P-C4' energy: -43.985
flat angles C4'-P-C4' energy: -54.272
flat angles P-C4'-P energy: -37.944
tors. eta vs tors. theta energy: -48.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -676.126344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.126344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.126344 (E_RNA)
where:
Base-Base interactions energy: -472.360
where: short stacking energy: -196.208
Base-Backbone interact. energy: -0.340
local terms energy: -203.426899
where:
bonds (distance) C4'-P energy: -36.355
bonds (distance) P-C4' energy: -33.414
flat angles C4'-P-C4' energy: -48.277
flat angles P-C4'-P energy: -23.480
tors. eta vs tors. theta energy: -61.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -481.798329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.798329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.798329 (E_RNA)
where:
Base-Base interactions energy: -313.491
where: short stacking energy: -141.187
Base-Backbone interact. energy: 4.295
local terms energy: -172.602114
where:
bonds (distance) C4'-P energy: -40.280
bonds (distance) P-C4' energy: -32.367
flat angles C4'-P-C4' energy: -46.340
flat angles P-C4'-P energy: -28.318
tors. eta vs tors. theta energy: -25.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -287.351445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.351445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.351445 (E_RNA)
where:
Base-Base interactions energy: -147.192
where: short stacking energy: -84.068
Base-Backbone interact. energy: -0.166
local terms energy: -139.993802
where:
bonds (distance) C4'-P energy: -41.365
bonds (distance) P-C4' energy: -44.196
flat angles C4'-P-C4' energy: -36.676
flat angles P-C4'-P energy: -24.747
tors. eta vs tors. theta energy: 6.990
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: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -946.610878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.610878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.610878 (E_RNA)
where:
Base-Base interactions energy: -647.511
where: short stacking energy: -287.293
Base-Backbone interact. energy: 0.201
local terms energy: -299.301618
where:
bonds (distance) C4'-P energy: -46.122
bonds (distance) P-C4' energy: -61.280
flat angles C4'-P-C4' energy: -62.843
flat angles P-C4'-P energy: -42.513
tors. eta vs tors. theta energy: -86.544
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: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -948.583561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.583561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.583561 (E_RNA)
where:
Base-Base interactions energy: -653.048
where: short stacking energy: -288.264
Base-Backbone interact. energy: -1.886
local terms energy: -293.650168
where:
bonds (distance) C4'-P energy: -54.541
bonds (distance) P-C4' energy: -55.326
flat angles C4'-P-C4' energy: -59.130
flat angles P-C4'-P energy: -41.188
tors. eta vs tors. theta energy: -83.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -883.419844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.419844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.419844 (E_RNA)
where:
Base-Base interactions energy: -622.081
where: short stacking energy: -256.449
Base-Backbone interact. energy: -1.861
local terms energy: -259.477927
where:
bonds (distance) C4'-P energy: -45.034
bonds (distance) P-C4' energy: -52.518
flat angles C4'-P-C4' energy: -52.763
flat angles P-C4'-P energy: -35.535
tors. eta vs tors. theta energy: -73.628
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: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -863.892248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.892248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.892248 (E_RNA)
where:
Base-Base interactions energy: -607.500
where: short stacking energy: -260.036
Base-Backbone interact. energy: -0.903
local terms energy: -255.489342
where:
bonds (distance) C4'-P energy: -42.724
bonds (distance) P-C4' energy: -50.569
flat angles C4'-P-C4' energy: -49.119
flat angles P-C4'-P energy: -36.966
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: 5, replica: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -790.057155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.057155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.057155 (E_RNA)
where:
Base-Base interactions energy: -537.083
where: short stacking energy: -220.390
Base-Backbone interact. energy: -0.762
local terms energy: -252.212326
where:
bonds (distance) C4'-P energy: -55.762
bonds (distance) P-C4' energy: -49.426
flat angles C4'-P-C4' energy: -46.933
flat angles P-C4'-P energy: -39.593
tors. eta vs tors. theta energy: -60.498
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: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -771.180641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.180641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.180641 (E_RNA)
where:
Base-Base interactions energy: -541.116
where: short stacking energy: -221.566
Base-Backbone interact. energy: -0.980
local terms energy: -229.083969
where:
bonds (distance) C4'-P energy: -39.294
bonds (distance) P-C4' energy: -53.294
flat angles C4'-P-C4' energy: -49.919
flat angles P-C4'-P energy: -27.235
tors. eta vs tors. theta energy: -59.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -740.452660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.452660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.452660 (E_RNA)
where:
Base-Base interactions energy: -512.800
where: short stacking energy: -194.489
Base-Backbone interact. energy: -0.406
local terms energy: -227.246329
where:
bonds (distance) C4'-P energy: -46.079
bonds (distance) P-C4' energy: -51.622
flat angles C4'-P-C4' energy: -48.486
flat angles P-C4'-P energy: -28.171
tors. eta vs tors. theta energy: -52.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -645.092048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.092048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.092048 (E_RNA)
where:
Base-Base interactions energy: -422.199
where: short stacking energy: -181.024
Base-Backbone interact. energy: -1.482
local terms energy: -221.410831
where:
bonds (distance) C4'-P energy: -42.359
bonds (distance) P-C4' energy: -55.402
flat angles C4'-P-C4' energy: -47.367
flat angles P-C4'-P energy: -24.600
tors. eta vs tors. theta energy: -51.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -479.098382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.098382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.098382 (E_RNA)
where:
Base-Base interactions energy: -304.246
where: short stacking energy: -140.751
Base-Backbone interact. energy: -1.766
local terms energy: -173.086320
where:
bonds (distance) C4'-P energy: -36.104
bonds (distance) P-C4' energy: -46.141
flat angles C4'-P-C4' energy: -40.479
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -26.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -287.185324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.185324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.185324 (E_RNA)
where:
Base-Base interactions energy: -140.333
where: short stacking energy: -89.708
Base-Backbone interact. energy: 0.567
local terms energy: -147.419461
where:
bonds (distance) C4'-P energy: -48.180
bonds (distance) P-C4' energy: -46.504
flat angles C4'-P-C4' energy: -41.000
flat angles P-C4'-P energy: -10.163
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: 1, replica: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -957.826655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.826655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.826655 (E_RNA)
where:
Base-Base interactions energy: -652.408
where: short stacking energy: -291.433
Base-Backbone interact. energy: -1.208
local terms energy: -304.211492
where:
bonds (distance) C4'-P energy: -52.046
bonds (distance) P-C4' energy: -59.349
flat angles C4'-P-C4' energy: -61.156
flat angles P-C4'-P energy: -39.960
tors. eta vs tors. theta energy: -91.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -927.008045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.008045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.008045 (E_RNA)
where:
Base-Base interactions energy: -633.468
where: short stacking energy: -278.400
Base-Backbone interact. energy: -1.542
local terms energy: -291.998546
where:
bonds (distance) C4'-P energy: -49.972
bonds (distance) P-C4' energy: -57.566
flat angles C4'-P-C4' energy: -63.119
flat angles P-C4'-P energy: -41.485
tors. eta vs tors. theta energy: -79.857
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: 3, replica: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -888.358858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.358858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.358858 (E_RNA)
where:
Base-Base interactions energy: -621.517
where: short stacking energy: -265.436
Base-Backbone interact. energy: -1.503
local terms energy: -265.338033
where:
bonds (distance) C4'-P energy: -45.256
bonds (distance) P-C4' energy: -51.489
flat angles C4'-P-C4' energy: -58.179
flat angles P-C4'-P energy: -35.944
tors. eta vs tors. theta energy: -74.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -850.480313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.480313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.480313 (E_RNA)
where:
Base-Base interactions energy: -585.593
where: short stacking energy: -262.013
Base-Backbone interact. energy: -0.372
local terms energy: -264.515832
where:
bonds (distance) C4'-P energy: -45.378
bonds (distance) P-C4' energy: -50.919
flat angles C4'-P-C4' energy: -58.984
flat angles P-C4'-P energy: -32.089
tors. eta vs tors. theta energy: -77.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -800.916834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.916834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.916834 (E_RNA)
where:
Base-Base interactions energy: -547.068
where: short stacking energy: -234.579
Base-Backbone interact. energy: 3.654
local terms energy: -257.502790
where:
bonds (distance) C4'-P energy: -33.512
bonds (distance) P-C4' energy: -57.530
flat angles C4'-P-C4' energy: -61.400
flat angles P-C4'-P energy: -39.117
tors. eta vs tors. theta energy: -65.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -749.419614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.419614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.419614 (E_RNA)
where:
Base-Base interactions energy: -511.266
where: short stacking energy: -217.892
Base-Backbone interact. energy: -0.889
local terms energy: -237.264146
where:
bonds (distance) C4'-P energy: -37.948
bonds (distance) P-C4' energy: -48.063
flat angles C4'-P-C4' energy: -57.344
flat angles P-C4'-P energy: -37.563
tors. eta vs tors. theta energy: -56.345
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: 4
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -663.149966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.149966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.149966 (E_RNA)
where:
Base-Base interactions energy: -429.795
where: short stacking energy: -190.697
Base-Backbone interact. energy: -0.519
local terms energy: -232.836120
where:
bonds (distance) C4'-P energy: -44.505
bonds (distance) P-C4' energy: -50.533
flat angles C4'-P-C4' energy: -47.809
flat angles P-C4'-P energy: -38.705
tors. eta vs tors. theta energy: -51.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -703.871930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.871930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.871930 (E_RNA)
where:
Base-Base interactions energy: -484.374
where: short stacking energy: -204.714
Base-Backbone interact. energy: -1.548
local terms energy: -217.949401
where:
bonds (distance) C4'-P energy: -40.935
bonds (distance) P-C4' energy: -50.368
flat angles C4'-P-C4' energy: -43.049
flat angles P-C4'-P energy: -27.819
tors. eta vs tors. theta energy: -55.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -465.788010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.788010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.788010 (E_RNA)
where:
Base-Base interactions energy: -289.386
where: short stacking energy: -127.135
Base-Backbone interact. energy: 1.635
local terms energy: -178.037770
where:
bonds (distance) C4'-P energy: -47.797
bonds (distance) P-C4' energy: -39.914
flat angles C4'-P-C4' energy: -52.817
flat angles P-C4'-P energy: -18.647
tors. eta vs tors. theta energy: -18.864
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: 378
Temperature: 1.350000
Total energy: -246.188508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.188508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.188508 (E_RNA)
where:
Base-Base interactions energy: -98.409
where: short stacking energy: -67.529
Base-Backbone interact. energy: 0.006
local terms energy: -147.785675
where:
bonds (distance) C4'-P energy: -44.798
bonds (distance) P-C4' energy: -53.423
flat angles C4'-P-C4' energy: -42.822
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: 11.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -967.840008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.840008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.840008 (E_RNA)
where:
Base-Base interactions energy: -681.251
where: short stacking energy: -295.924
Base-Backbone interact. energy: -1.380
local terms energy: -285.209369
where:
bonds (distance) C4'-P energy: -41.129
bonds (distance) P-C4' energy: -55.101
flat angles C4'-P-C4' energy: -61.298
flat angles P-C4'-P energy: -34.666
tors. eta vs tors. theta energy: -93.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -953.289661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.289661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.289661 (E_RNA)
where:
Base-Base interactions energy: -668.773
where: short stacking energy: -298.881
Base-Backbone interact. energy: -0.797
local terms energy: -283.718841
where:
bonds (distance) C4'-P energy: -44.031
bonds (distance) P-C4' energy: -47.504
flat angles C4'-P-C4' energy: -55.536
flat angles P-C4'-P energy: -47.905
tors. eta vs tors. theta energy: -88.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -855.239161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.239161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.239161 (E_RNA)
where:
Base-Base interactions energy: -596.444
where: short stacking energy: -260.149
Base-Backbone interact. energy: -1.395
local terms energy: -257.399327
where:
bonds (distance) C4'-P energy: -48.606
bonds (distance) P-C4' energy: -42.782
flat angles C4'-P-C4' energy: -59.371
flat angles P-C4'-P energy: -35.460
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: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -856.731450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.731450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.731450 (E_RNA)
where:
Base-Base interactions energy: -589.445
where: short stacking energy: -266.271
Base-Backbone interact. energy: 0.077
local terms energy: -267.363599
where:
bonds (distance) C4'-P energy: -38.791
bonds (distance) P-C4' energy: -50.609
flat angles C4'-P-C4' energy: -63.878
flat angles P-C4'-P energy: -39.983
tors. eta vs tors. theta energy: -74.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -797.371137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.371137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.371137 (E_RNA)
where:
Base-Base interactions energy: -551.669
where: short stacking energy: -247.453
Base-Backbone interact. energy: 0.844
local terms energy: -246.546752
where:
bonds (distance) C4'-P energy: -44.898
bonds (distance) P-C4' energy: -44.889
flat angles C4'-P-C4' energy: -53.581
flat angles P-C4'-P energy: -32.014
tors. eta vs tors. theta energy: -71.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -740.152457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.152457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.152457 (E_RNA)
where:
Base-Base interactions energy: -508.279
where: short stacking energy: -210.359
Base-Backbone interact. energy: 1.362
local terms energy: -233.234590
where:
bonds (distance) C4'-P energy: -42.575
bonds (distance) P-C4' energy: -46.357
flat angles C4'-P-C4' energy: -46.539
flat angles P-C4'-P energy: -36.156
tors. eta vs tors. theta energy: -61.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -659.326015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.326015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.326015 (E_RNA)
where:
Base-Base interactions energy: -446.411
where: short stacking energy: -203.524
Base-Backbone interact. energy: -0.228
local terms energy: -212.687351
where:
bonds (distance) C4'-P energy: -34.119
bonds (distance) P-C4' energy: -47.431
flat angles C4'-P-C4' energy: -51.934
flat angles P-C4'-P energy: -31.414
tors. eta vs tors. theta energy: -47.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -724.452244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.452244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.452244 (E_RNA)
where:
Base-Base interactions energy: -500.188
where: short stacking energy: -208.661
Base-Backbone interact. energy: -1.623
local terms energy: -222.641207
where:
bonds (distance) C4'-P energy: -39.104
bonds (distance) P-C4' energy: -46.924
flat angles C4'-P-C4' energy: -56.886
flat angles P-C4'-P energy: -33.285
tors. eta vs tors. theta energy: -46.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -439.958228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.958228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.958228 (E_RNA)
where:
Base-Base interactions energy: -264.260
where: short stacking energy: -121.512
Base-Backbone interact. energy: -0.700
local terms energy: -174.998584
where:
bonds (distance) C4'-P energy: -43.220
bonds (distance) P-C4' energy: -44.506
flat angles C4'-P-C4' energy: -45.979
flat angles P-C4'-P energy: -24.299
tors. eta vs tors. theta energy: -16.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -219.054034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.054034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.054034 (E_RNA)
where:
Base-Base interactions energy: -71.019
where: short stacking energy: -55.812
Base-Backbone interact. energy: 1.682
local terms energy: -149.717566
where:
bonds (distance) C4'-P energy: -49.931
bonds (distance) P-C4' energy: -47.307
flat angles C4'-P-C4' energy: -44.498
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: 9.135
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: 1
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -962.016400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.016400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.016400 (E_RNA)
where:
Base-Base interactions energy: -655.313
where: short stacking energy: -280.109
Base-Backbone interact. energy: 0.301
local terms energy: -307.003971
where:
bonds (distance) C4'-P energy: -55.147
bonds (distance) P-C4' energy: -54.338
flat angles C4'-P-C4' energy: -65.140
flat angles P-C4'-P energy: -43.677
tors. eta vs tors. theta energy: -88.702
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: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -970.159021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.159021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.159021 (E_RNA)
where:
Base-Base interactions energy: -658.915
where: short stacking energy: -289.002
Base-Backbone interact. energy: -1.449
local terms energy: -309.794981
where:
bonds (distance) C4'-P energy: -54.459
bonds (distance) P-C4' energy: -53.560
flat angles C4'-P-C4' energy: -61.156
flat angles P-C4'-P energy: -47.493
tors. eta vs tors. theta energy: -93.127
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: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -872.495867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.495867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.495867 (E_RNA)
where:
Base-Base interactions energy: -600.246
where: short stacking energy: -271.181
Base-Backbone interact. energy: -0.240
local terms energy: -272.010365
where:
bonds (distance) C4'-P energy: -49.278
bonds (distance) P-C4' energy: -58.130
flat angles C4'-P-C4' energy: -63.218
flat angles P-C4'-P energy: -28.644
tors. eta vs tors. theta energy: -72.741
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: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -857.194425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.194425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.194425 (E_RNA)
where:
Base-Base interactions energy: -604.259
where: short stacking energy: -247.990
Base-Backbone interact. energy: 0.278
local terms energy: -253.213724
where:
bonds (distance) C4'-P energy: -47.080
bonds (distance) P-C4' energy: -47.722
flat angles C4'-P-C4' energy: -48.214
flat angles P-C4'-P energy: -35.808
tors. eta vs tors. theta energy: -74.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -827.124872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.124872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.124872 (E_RNA)
where:
Base-Base interactions energy: -565.524
where: short stacking energy: -240.227
Base-Backbone interact. energy: 1.224
local terms energy: -262.825195
where:
bonds (distance) C4'-P energy: -40.455
bonds (distance) P-C4' energy: -53.400
flat angles C4'-P-C4' energy: -57.811
flat angles P-C4'-P energy: -37.589
tors. eta vs tors. theta energy: -73.570
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: 8
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -735.199105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.199105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.199105 (E_RNA)
where:
Base-Base interactions energy: -512.947
where: short stacking energy: -192.539
Base-Backbone interact. energy: -1.183
local terms energy: -221.069531
where:
bonds (distance) C4'-P energy: -40.695
bonds (distance) P-C4' energy: -52.085
flat angles C4'-P-C4' energy: -46.284
flat angles P-C4'-P energy: -38.151
tors. eta vs tors. theta energy: -43.854
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: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -741.507617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.507617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.507617 (E_RNA)
where:
Base-Base interactions energy: -512.695
where: short stacking energy: -211.703
Base-Backbone interact. energy: -0.716
local terms energy: -228.096690
where:
bonds (distance) C4'-P energy: -39.924
bonds (distance) P-C4' energy: -42.387
flat angles C4'-P-C4' energy: -48.915
flat angles P-C4'-P energy: -33.388
tors. eta vs tors. theta energy: -63.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -624.273034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.273034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.273034 (E_RNA)
where:
Base-Base interactions energy: -411.779
where: short stacking energy: -181.468
Base-Backbone interact. energy: 0.065
local terms energy: -212.558398
where:
bonds (distance) C4'-P energy: -48.562
bonds (distance) P-C4' energy: -43.715
flat angles C4'-P-C4' energy: -44.211
flat angles P-C4'-P energy: -25.350
tors. eta vs tors. theta energy: -50.720
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: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -470.843417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.843417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.843417 (E_RNA)
where:
Base-Base interactions energy: -290.786
where: short stacking energy: -125.767
Base-Backbone interact. energy: -1.042
local terms energy: -179.014738
where:
bonds (distance) C4'-P energy: -51.777
bonds (distance) P-C4' energy: -55.496
flat angles C4'-P-C4' energy: -34.386
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -23.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -232.943612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.943612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.943612 (E_RNA)
where:
Base-Base interactions energy: -68.836
where: short stacking energy: -60.543
Base-Backbone interact. energy: -0.521
local terms energy: -163.587203
where:
bonds (distance) C4'-P energy: -47.229
bonds (distance) P-C4' energy: -45.526
flat angles C4'-P-C4' energy: -41.851
flat angles P-C4'-P energy: -29.532
tors. eta vs tors. theta energy: 0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -969.706739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.706739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.706739 (E_RNA)
where:
Base-Base interactions energy: -679.709
where: short stacking energy: -292.804
Base-Backbone interact. energy: 0.822
local terms energy: -290.820179
where:
bonds (distance) C4'-P energy: -51.062
bonds (distance) P-C4' energy: -56.575
flat angles C4'-P-C4' energy: -62.000
flat angles P-C4'-P energy: -41.089
tors. eta vs tors. theta energy: -80.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -953.309740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.309740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.309740 (E_RNA)
where:
Base-Base interactions energy: -665.871
where: short stacking energy: -290.508
Base-Backbone interact. energy: -1.102
local terms energy: -286.337444
where:
bonds (distance) C4'-P energy: -48.512
bonds (distance) P-C4' energy: -50.445
flat angles C4'-P-C4' energy: -56.562
flat angles P-C4'-P energy: -45.878
tors. eta vs tors. theta energy: -84.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -867.163972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.163972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.163972 (E_RNA)
where:
Base-Base interactions energy: -591.449
where: short stacking energy: -265.435
Base-Backbone interact. energy: 0.658
local terms energy: -276.372284
where:
bonds (distance) C4'-P energy: -45.739
bonds (distance) P-C4' energy: -56.216
flat angles C4'-P-C4' energy: -62.138
flat angles P-C4'-P energy: -37.668
tors. eta vs tors. theta energy: -74.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -872.911907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.911907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.911907 (E_RNA)
where:
Base-Base interactions energy: -607.220
where: short stacking energy: -264.036
Base-Backbone interact. energy: 1.785
local terms energy: -267.476769
where:
bonds (distance) C4'-P energy: -42.912
bonds (distance) P-C4' energy: -48.085
flat angles C4'-P-C4' energy: -56.774
flat angles P-C4'-P energy: -38.797
tors. eta vs tors. theta energy: -80.908
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: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -841.534873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.534873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.534873 (E_RNA)
where:
Base-Base interactions energy: -585.820
where: short stacking energy: -262.954
Base-Backbone interact. energy: -0.474
local terms energy: -255.241674
where:
bonds (distance) C4'-P energy: -40.712
bonds (distance) P-C4' energy: -52.857
flat angles C4'-P-C4' energy: -46.315
flat angles P-C4'-P energy: -39.907
tors. eta vs tors. theta energy: -75.451
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: 381
Temperature: 1.150000
Total energy: -768.026835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.026835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.026835 (E_RNA)
where:
Base-Base interactions energy: -526.931
where: short stacking energy: -215.377
Base-Backbone interact. energy: -0.995
local terms energy: -240.101008
where:
bonds (distance) C4'-P energy: -52.950
bonds (distance) P-C4' energy: -52.726
flat angles C4'-P-C4' energy: -45.436
flat angles P-C4'-P energy: -35.464
tors. eta vs tors. theta energy: -53.525
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: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -736.159286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.159286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.159286 (E_RNA)
where:
Base-Base interactions energy: -494.844
where: short stacking energy: -208.272
Base-Backbone interact. energy: -1.152
local terms energy: -240.162425
where:
bonds (distance) C4'-P energy: -47.712
bonds (distance) P-C4' energy: -41.148
flat angles C4'-P-C4' energy: -54.496
flat angles P-C4'-P energy: -35.973
tors. eta vs tors. theta energy: -60.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -613.170595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.170595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.170595 (E_RNA)
where:
Base-Base interactions energy: -416.029
where: short stacking energy: -195.992
Base-Backbone interact. energy: -1.146
local terms energy: -195.996154
where:
bonds (distance) C4'-P energy: -35.525
bonds (distance) P-C4' energy: -47.598
flat angles C4'-P-C4' energy: -52.896
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -46.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -530.684255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.684255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.684255 (E_RNA)
where:
Base-Base interactions energy: -341.444
where: short stacking energy: -148.748
Base-Backbone interact. energy: 0.684
local terms energy: -189.924433
where:
bonds (distance) C4'-P energy: -53.102
bonds (distance) P-C4' energy: -41.334
flat angles C4'-P-C4' energy: -42.515
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: -31.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -227.724375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.724375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.724375 (E_RNA)
where:
Base-Base interactions energy: -78.980
where: short stacking energy: -66.642
Base-Backbone interact. energy: 1.127
local terms energy: -149.871670
where:
bonds (distance) C4'-P energy: -40.637
bonds (distance) P-C4' energy: -50.285
flat angles C4'-P-C4' energy: -41.073
flat angles P-C4'-P energy: -21.808
tors. eta vs tors. theta energy: 3.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -967.945641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.945641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.945641 (E_RNA)
where:
Base-Base interactions energy: -673.280
where: short stacking energy: -297.620
Base-Backbone interact. energy: -0.285
local terms energy: -294.380410
where:
bonds (distance) C4'-P energy: -47.795
bonds (distance) P-C4' energy: -57.764
flat angles C4'-P-C4' energy: -60.578
flat angles P-C4'-P energy: -44.456
tors. eta vs tors. theta energy: -83.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -932.371726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.371726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.371726 (E_RNA)
where:
Base-Base interactions energy: -646.438
where: short stacking energy: -278.263
Base-Backbone interact. energy: -1.121
local terms energy: -284.812311
where:
bonds (distance) C4'-P energy: -44.596
bonds (distance) P-C4' energy: -56.273
flat angles C4'-P-C4' energy: -61.218
flat angles P-C4'-P energy: -40.597
tors. eta vs tors. theta energy: -82.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -896.775681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.775681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.775681 (E_RNA)
where:
Base-Base interactions energy: -624.309
where: short stacking energy: -262.797
Base-Backbone interact. energy: 1.585
local terms energy: -274.051534
where:
bonds (distance) C4'-P energy: -45.500
bonds (distance) P-C4' energy: -51.078
flat angles C4'-P-C4' energy: -58.967
flat angles P-C4'-P energy: -39.920
tors. eta vs tors. theta energy: -78.586
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: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -838.646595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.646595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.646595 (E_RNA)
where:
Base-Base interactions energy: -581.305
where: short stacking energy: -249.062
Base-Backbone interact. energy: -2.104
local terms energy: -255.237488
where:
bonds (distance) C4'-P energy: -42.197
bonds (distance) P-C4' energy: -56.901
flat angles C4'-P-C4' energy: -54.190
flat angles P-C4'-P energy: -33.946
tors. eta vs tors. theta energy: -68.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -823.853179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.853179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.853179 (E_RNA)
where:
Base-Base interactions energy: -586.393
where: short stacking energy: -250.460
Base-Backbone interact. energy: -0.814
local terms energy: -236.646201
where:
bonds (distance) C4'-P energy: -36.268
bonds (distance) P-C4' energy: -55.688
flat angles C4'-P-C4' energy: -50.841
flat angles P-C4'-P energy: -24.822
tors. eta vs tors. theta energy: -69.028
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: 8
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -722.234644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.234644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.234644 (E_RNA)
where:
Base-Base interactions energy: -485.597
where: short stacking energy: -201.766
Base-Backbone interact. energy: -1.090
local terms energy: -235.548319
where:
bonds (distance) C4'-P energy: -46.696
bonds (distance) P-C4' energy: -51.675
flat angles C4'-P-C4' energy: -54.262
flat angles P-C4'-P energy: -30.064
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: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -756.065207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.065207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.065207 (E_RNA)
where:
Base-Base interactions energy: -520.218
where: short stacking energy: -212.958
Base-Backbone interact. energy: 1.142
local terms energy: -236.988389
where:
bonds (distance) C4'-P energy: -40.041
bonds (distance) P-C4' energy: -42.410
flat angles C4'-P-C4' energy: -56.452
flat angles P-C4'-P energy: -37.884
tors. eta vs tors. theta energy: -60.201
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: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -575.457942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.457942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.457942 (E_RNA)
where:
Base-Base interactions energy: -376.262
where: short stacking energy: -175.502
Base-Backbone interact. energy: -0.330
local terms energy: -198.865330
where:
bonds (distance) C4'-P energy: -36.763
bonds (distance) P-C4' energy: -50.609
flat angles C4'-P-C4' energy: -44.982
flat angles P-C4'-P energy: -26.726
tors. eta vs tors. theta energy: -39.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -520.687631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.687631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.687631 (E_RNA)
where:
Base-Base interactions energy: -330.074
where: short stacking energy: -150.689
Base-Backbone interact. energy: -2.888
local terms energy: -187.725053
where:
bonds (distance) C4'-P energy: -46.728
bonds (distance) P-C4' energy: -37.129
flat angles C4'-P-C4' energy: -38.235
flat angles P-C4'-P energy: -35.728
tors. eta vs tors. theta energy: -29.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -219.387985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.387985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.387985 (E_RNA)
where:
Base-Base interactions energy: -82.769
where: short stacking energy: -55.408
Base-Backbone interact. energy: 3.534
local terms energy: -140.153209
where:
bonds (distance) C4'-P energy: -41.617
bonds (distance) P-C4' energy: -56.931
flat angles C4'-P-C4' energy: -30.704
flat angles P-C4'-P energy: -24.183
tors. eta vs tors. theta energy: 13.282
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: 383
Temperature: 0.900000
Total energy: -961.358160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.358160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.358160 (E_RNA)
where:
Base-Base interactions energy: -653.501
where: short stacking energy: -286.181
Base-Backbone interact. energy: -1.382
local terms energy: -306.475135
where:
bonds (distance) C4'-P energy: -57.334
bonds (distance) P-C4' energy: -56.707
flat angles C4'-P-C4' energy: -63.126
flat angles P-C4'-P energy: -47.377
tors. eta vs tors. theta energy: -81.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -930.422118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.422118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.422118 (E_RNA)
where:
Base-Base interactions energy: -635.666
where: short stacking energy: -283.976
Base-Backbone interact. energy: -0.723
local terms energy: -294.033743
where:
bonds (distance) C4'-P energy: -58.897
bonds (distance) P-C4' energy: -54.632
flat angles C4'-P-C4' energy: -59.844
flat angles P-C4'-P energy: -36.917
tors. eta vs tors. theta energy: -83.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -896.857821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.857821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.857821 (E_RNA)
where:
Base-Base interactions energy: -615.236
where: short stacking energy: -266.786
Base-Backbone interact. energy: -0.490
local terms energy: -281.131181
where:
bonds (distance) C4'-P energy: -46.750
bonds (distance) P-C4' energy: -55.154
flat angles C4'-P-C4' energy: -56.131
flat angles P-C4'-P energy: -39.762
tors. eta vs tors. theta energy: -83.334
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: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -849.553296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.553296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.553296 (E_RNA)
where:
Base-Base interactions energy: -593.603
where: short stacking energy: -261.329
Base-Backbone interact. energy: -0.960
local terms energy: -254.990363
where:
bonds (distance) C4'-P energy: -44.764
bonds (distance) P-C4' energy: -36.258
flat angles C4'-P-C4' energy: -50.805
flat angles P-C4'-P energy: -48.020
tors. eta vs tors. theta energy: -75.143
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: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -805.349310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.349310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.349310 (E_RNA)
where:
Base-Base interactions energy: -562.158
where: short stacking energy: -235.976
Base-Backbone interact. energy: -0.163
local terms energy: -243.027936
where:
bonds (distance) C4'-P energy: -41.270
bonds (distance) P-C4' energy: -52.857
flat angles C4'-P-C4' energy: -48.873
flat angles P-C4'-P energy: -25.382
tors. eta vs tors. theta energy: -74.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -765.560656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.560656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.560656 (E_RNA)
where:
Base-Base interactions energy: -531.574
where: short stacking energy: -223.603
Base-Backbone interact. energy: -0.420
local terms energy: -233.567268
where:
bonds (distance) C4'-P energy: -43.123
bonds (distance) P-C4' energy: -42.300
flat angles C4'-P-C4' energy: -50.157
flat angles P-C4'-P energy: -43.768
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: 7, replica: 8
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -701.026898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.026898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.026898 (E_RNA)
where:
Base-Base interactions energy: -480.671
where: short stacking energy: -190.833
Base-Backbone interact. energy: -1.455
local terms energy: -218.900247
where:
bonds (distance) C4'-P energy: -37.411
bonds (distance) P-C4' energy: -42.530
flat angles C4'-P-C4' energy: -50.323
flat angles P-C4'-P energy: -37.613
tors. eta vs tors. theta energy: -51.023
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: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -595.813567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.813567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.813567 (E_RNA)
where:
Base-Base interactions energy: -377.397
where: short stacking energy: -161.767
Base-Backbone interact. energy: -0.035
local terms energy: -218.381892
where:
bonds (distance) C4'-P energy: -49.222
bonds (distance) P-C4' energy: -57.273
flat angles C4'-P-C4' energy: -42.749
flat angles P-C4'-P energy: -29.564
tors. eta vs tors. theta energy: -39.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -511.387324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.387324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.387324 (E_RNA)
where:
Base-Base interactions energy: -322.340
where: short stacking energy: -154.314
Base-Backbone interact. energy: -1.231
local terms energy: -187.816507
where:
bonds (distance) C4'-P energy: -42.786
bonds (distance) P-C4' energy: -38.658
flat angles C4'-P-C4' energy: -46.986
flat angles P-C4'-P energy: -29.259
tors. eta vs tors. theta energy: -30.127
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: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -249.513547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.513547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.513547 (E_RNA)
where:
Base-Base interactions energy: -109.902
where: short stacking energy: -68.848
Base-Backbone interact. energy: -1.175
local terms energy: -138.435920
where:
bonds (distance) C4'-P energy: -36.315
bonds (distance) P-C4' energy: -37.836
flat angles C4'-P-C4' energy: -34.850
flat angles P-C4'-P energy: -21.764
tors. eta vs tors. theta energy: -7.671
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: 1, replica: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -949.124883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.124883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.124883 (E_RNA)
where:
Base-Base interactions energy: -653.087
where: short stacking energy: -281.014
Base-Backbone interact. energy: 0.165
local terms energy: -296.202690
where:
bonds (distance) C4'-P energy: -55.648
bonds (distance) P-C4' energy: -56.473
flat angles C4'-P-C4' energy: -54.719
flat angles P-C4'-P energy: -41.452
tors. eta vs tors. theta energy: -87.911
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: 384
Temperature: 0.950000
Total energy: -961.620847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.620847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.620847 (E_RNA)
where:
Base-Base interactions energy: -665.194
where: short stacking energy: -297.589
Base-Backbone interact. energy: -0.956
local terms energy: -295.470551
where:
bonds (distance) C4'-P energy: -55.654
bonds (distance) P-C4' energy: -44.387
flat angles C4'-P-C4' energy: -61.150
flat angles P-C4'-P energy: -43.331
tors. eta vs tors. theta energy: -90.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -893.261400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.261400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.261400 (E_RNA)
where:
Base-Base interactions energy: -602.135
where: short stacking energy: -258.508
Base-Backbone interact. energy: -0.910
local terms energy: -290.216612
where:
bonds (distance) C4'-P energy: -58.507
bonds (distance) P-C4' energy: -52.973
flat angles C4'-P-C4' energy: -55.565
flat angles P-C4'-P energy: -42.140
tors. eta vs tors. theta energy: -81.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -834.636605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.636605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.636605 (E_RNA)
where:
Base-Base interactions energy: -578.284
where: short stacking energy: -245.580
Base-Backbone interact. energy: -1.886
local terms energy: -254.466002
where:
bonds (distance) C4'-P energy: -39.962
bonds (distance) P-C4' energy: -46.247
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -43.798
tors. eta vs tors. theta energy: -71.594
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: 5
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -772.721696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.721696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.721696 (E_RNA)
where:
Base-Base interactions energy: -530.237
where: short stacking energy: -215.394
Base-Backbone interact. energy: -1.933
local terms energy: -240.552010
where:
bonds (distance) C4'-P energy: -38.479
bonds (distance) P-C4' energy: -53.182
flat angles C4'-P-C4' energy: -56.227
flat angles P-C4'-P energy: -31.380
tors. eta vs tors. theta energy: -61.284
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: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -798.645567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.645567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.645567 (E_RNA)
where:
Base-Base interactions energy: -542.654
where: short stacking energy: -234.064
Base-Backbone interact. energy: -0.162
local terms energy: -255.829606
where:
bonds (distance) C4'-P energy: -45.063
bonds (distance) P-C4' energy: -55.050
flat angles C4'-P-C4' energy: -51.521
flat angles P-C4'-P energy: -36.305
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: 7, replica: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -726.939538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.939538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.939538 (E_RNA)
where:
Base-Base interactions energy: -498.875
where: short stacking energy: -188.092
Base-Backbone interact. energy: -0.175
local terms energy: -227.889966
where:
bonds (distance) C4'-P energy: -44.964
bonds (distance) P-C4' energy: -46.950
flat angles C4'-P-C4' energy: -52.060
flat angles P-C4'-P energy: -32.921
tors. eta vs tors. theta energy: -50.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -609.105007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.105007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.105007 (E_RNA)
where:
Base-Base interactions energy: -406.065
where: short stacking energy: -189.714
Base-Backbone interact. energy: -1.944
local terms energy: -201.095895
where:
bonds (distance) C4'-P energy: -49.464
bonds (distance) P-C4' energy: -44.484
flat angles C4'-P-C4' energy: -41.145
flat angles P-C4'-P energy: -23.735
tors. eta vs tors. theta energy: -42.268
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: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -547.937536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.937536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.937536 (E_RNA)
where:
Base-Base interactions energy: -355.437
where: short stacking energy: -150.298
Base-Backbone interact. energy: 0.380
local terms energy: -192.880078
where:
bonds (distance) C4'-P energy: -37.619
bonds (distance) P-C4' energy: -37.785
flat angles C4'-P-C4' energy: -45.529
flat angles P-C4'-P energy: -30.744
tors. eta vs tors. theta energy: -41.204
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: 384
Temperature: 1.350000
Total energy: -243.785870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.785870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.785870 (E_RNA)
where:
Base-Base interactions energy: -90.705
where: short stacking energy: -83.451
Base-Backbone interact. energy: -0.388
local terms energy: -152.692460
where:
bonds (distance) C4'-P energy: -38.455
bonds (distance) P-C4' energy: -42.407
flat angles C4'-P-C4' energy: -41.089
flat angles P-C4'-P energy: -21.157
tors. eta vs tors. theta energy: -9.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -961.737341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.737341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.737341 (E_RNA)
where:
Base-Base interactions energy: -662.624
where: short stacking energy: -280.476
Base-Backbone interact. energy: -1.992
local terms energy: -297.121457
where:
bonds (distance) C4'-P energy: -46.105
bonds (distance) P-C4' energy: -58.862
flat angles C4'-P-C4' energy: -60.668
flat angles P-C4'-P energy: -44.811
tors. eta vs tors. theta energy: -86.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -928.464034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.464034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.464034 (E_RNA)
where:
Base-Base interactions energy: -652.603
where: short stacking energy: -276.250
Base-Backbone interact. energy: -0.460
local terms energy: -275.401047
where:
bonds (distance) C4'-P energy: -45.809
bonds (distance) P-C4' energy: -42.695
flat angles C4'-P-C4' energy: -59.804
flat angles P-C4'-P energy: -44.594
tors. eta vs tors. theta energy: -82.498
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: 2
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -883.450990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.450990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.450990 (E_RNA)
where:
Base-Base interactions energy: -588.378
where: short stacking energy: -260.606
Base-Backbone interact. energy: -2.634
local terms energy: -292.438859
where:
bonds (distance) C4'-P energy: -51.418
bonds (distance) P-C4' energy: -54.503
flat angles C4'-P-C4' energy: -56.606
flat angles P-C4'-P energy: -47.569
tors. eta vs tors. theta energy: -82.342
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: 4, replica: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -867.799288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.799288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.799288 (E_RNA)
where:
Base-Base interactions energy: -593.462
where: short stacking energy: -259.191
Base-Backbone interact. energy: -1.461
local terms energy: -272.875671
where:
bonds (distance) C4'-P energy: -40.318
bonds (distance) P-C4' energy: -51.450
flat angles C4'-P-C4' energy: -57.285
flat angles P-C4'-P energy: -43.607
tors. eta vs tors. theta energy: -80.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -814.786986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.786986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.786986 (E_RNA)
where:
Base-Base interactions energy: -572.160
where: short stacking energy: -248.770
Base-Backbone interact. energy: 0.583
local terms energy: -243.209880
where:
bonds (distance) C4'-P energy: -44.166
bonds (distance) P-C4' energy: -54.802
flat angles C4'-P-C4' energy: -51.705
flat angles P-C4'-P energy: -29.270
tors. eta vs tors. theta energy: -63.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -795.069252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.069252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.069252 (E_RNA)
where:
Base-Base interactions energy: -545.330
where: short stacking energy: -221.098
Base-Backbone interact. energy: 1.676
local terms energy: -251.415149
where:
bonds (distance) C4'-P energy: -48.027
bonds (distance) P-C4' energy: -50.503
flat angles C4'-P-C4' energy: -47.582
flat angles P-C4'-P energy: -42.660
tors. eta vs tors. theta energy: -62.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -744.134393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.134393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.134393 (E_RNA)
where:
Base-Base interactions energy: -512.879
where: short stacking energy: -199.349
Base-Backbone interact. energy: -0.323
local terms energy: -230.932037
where:
bonds (distance) C4'-P energy: -50.720
bonds (distance) P-C4' energy: -50.409
flat angles C4'-P-C4' energy: -46.074
flat angles P-C4'-P energy: -31.875
tors. eta vs tors. theta energy: -51.854
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: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -562.763874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.763874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.763874 (E_RNA)
where:
Base-Base interactions energy: -336.750
where: short stacking energy: -159.869
Base-Backbone interact. energy: -0.670
local terms energy: -225.343368
where:
bonds (distance) C4'-P energy: -49.676
bonds (distance) P-C4' energy: -46.788
flat angles C4'-P-C4' energy: -55.654
flat angles P-C4'-P energy: -31.879
tors. eta vs tors. theta energy: -41.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -576.133244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.133244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.133244 (E_RNA)
where:
Base-Base interactions energy: -384.479
where: short stacking energy: -173.639
Base-Backbone interact. energy: -0.573
local terms energy: -191.081276
where:
bonds (distance) C4'-P energy: -42.586
bonds (distance) P-C4' energy: -44.766
flat angles C4'-P-C4' energy: -41.906
flat angles P-C4'-P energy: -22.075
tors. eta vs tors. theta energy: -39.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -257.615853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.615853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.615853 (E_RNA)
where:
Base-Base interactions energy: -114.645
where: short stacking energy: -67.332
Base-Backbone interact. energy: 0.567
local terms energy: -143.538508
where:
bonds (distance) C4'-P energy: -48.870
bonds (distance) P-C4' energy: -53.519
flat angles C4'-P-C4' energy: -31.943
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: 9.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -958.440258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.440258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.440258 (E_RNA)
where:
Base-Base interactions energy: -658.265
where: short stacking energy: -286.105
Base-Backbone interact. energy: 1.438
local terms energy: -301.613062
where:
bonds (distance) C4'-P energy: -52.818
bonds (distance) P-C4' energy: -50.848
flat angles C4'-P-C4' energy: -63.409
flat angles P-C4'-P energy: -45.313
tors. eta vs tors. theta energy: -89.225
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: 1
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -945.154469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.154469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.154469 (E_RNA)
where:
Base-Base interactions energy: -658.183
where: short stacking energy: -285.444
Base-Backbone interact. energy: -1.252
local terms energy: -285.719799
where:
bonds (distance) C4'-P energy: -49.400
bonds (distance) P-C4' energy: -56.597
flat angles C4'-P-C4' energy: -56.400
flat angles P-C4'-P energy: -44.367
tors. eta vs tors. theta energy: -78.956
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: 3, replica: 6
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -892.746811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.746811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.746811 (E_RNA)
where:
Base-Base interactions energy: -614.911
where: short stacking energy: -285.005
Base-Backbone interact. energy: -1.163
local terms energy: -276.672894
where:
bonds (distance) C4'-P energy: -48.949
bonds (distance) P-C4' energy: -48.661
flat angles C4'-P-C4' energy: -60.782
flat angles P-C4'-P energy: -35.615
tors. eta vs tors. theta energy: -82.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -861.832018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.832018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.832018 (E_RNA)
where:
Base-Base interactions energy: -602.260
where: short stacking energy: -258.339
Base-Backbone interact. energy: -2.194
local terms energy: -257.378111
where:
bonds (distance) C4'-P energy: -44.392
bonds (distance) P-C4' energy: -46.123
flat angles C4'-P-C4' energy: -48.968
flat angles P-C4'-P energy: -37.898
tors. eta vs tors. theta energy: -79.998
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: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -820.619950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.619950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.619950 (E_RNA)
where:
Base-Base interactions energy: -561.734
where: short stacking energy: -250.204
Base-Backbone interact. energy: 0.081
local terms energy: -258.966873
where:
bonds (distance) C4'-P energy: -45.890
bonds (distance) P-C4' energy: -51.669
flat angles C4'-P-C4' energy: -56.085
flat angles P-C4'-P energy: -38.484
tors. eta vs tors. theta energy: -66.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -785.150646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.150646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.150646 (E_RNA)
where:
Base-Base interactions energy: -539.520
where: short stacking energy: -224.277
Base-Backbone interact. energy: -1.091
local terms energy: -244.540332
where:
bonds (distance) C4'-P energy: -46.752
bonds (distance) P-C4' energy: -50.253
flat angles C4'-P-C4' energy: -43.813
flat angles P-C4'-P energy: -35.942
tors. eta vs tors. theta energy: -67.780
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: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -716.373053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.373053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.373053 (E_RNA)
where:
Base-Base interactions energy: -481.317
where: short stacking energy: -199.686
Base-Backbone interact. energy: 0.132
local terms energy: -235.188216
where:
bonds (distance) C4'-P energy: -41.980
bonds (distance) P-C4' energy: -49.220
flat angles C4'-P-C4' energy: -52.006
flat angles P-C4'-P energy: -35.512
tors. eta vs tors. theta energy: -56.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -582.596871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.596871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.596871 (E_RNA)
where:
Base-Base interactions energy: -396.838
where: short stacking energy: -161.094
Base-Backbone interact. energy: -0.785
local terms energy: -184.974269
where:
bonds (distance) C4'-P energy: -35.948
bonds (distance) P-C4' energy: -44.585
flat angles C4'-P-C4' energy: -42.494
flat angles P-C4'-P energy: -33.691
tors. eta vs tors. theta energy: -28.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -562.508911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.508911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.508911 (E_RNA)
where:
Base-Base interactions energy: -373.251
where: short stacking energy: -181.805
Base-Backbone interact. energy: -0.651
local terms energy: -188.606333
where:
bonds (distance) C4'-P energy: -38.529
bonds (distance) P-C4' energy: -36.338
flat angles C4'-P-C4' energy: -42.324
flat angles P-C4'-P energy: -35.107
tors. eta vs tors. theta energy: -36.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -283.937036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.937036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.937036 (E_RNA)
where:
Base-Base interactions energy: -135.881
where: short stacking energy: -79.820
Base-Backbone interact. energy: 0.807
local terms energy: -148.863692
where:
bonds (distance) C4'-P energy: -46.793
bonds (distance) P-C4' energy: -40.403
flat angles C4'-P-C4' energy: -40.699
flat angles P-C4'-P energy: -17.695
tors. eta vs tors. theta energy: -3.274
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: 1, replica: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -948.103357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.103357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.103357 (E_RNA)
where:
Base-Base interactions energy: -662.566
where: short stacking energy: -292.535
Base-Backbone interact. energy: -0.994
local terms energy: -284.543431
where:
bonds (distance) C4'-P energy: -47.003
bonds (distance) P-C4' energy: -50.842
flat angles C4'-P-C4' energy: -61.600
flat angles P-C4'-P energy: -38.601
tors. eta vs tors. theta energy: -86.498
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: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -933.586548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.586548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.586548 (E_RNA)
where:
Base-Base interactions energy: -664.253
where: short stacking energy: -293.214
Base-Backbone interact. energy: 0.871
local terms energy: -270.205113
where:
bonds (distance) C4'-P energy: -36.409
bonds (distance) P-C4' energy: -57.306
flat angles C4'-P-C4' energy: -52.142
flat angles P-C4'-P energy: -36.159
tors. eta vs tors. theta energy: -88.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -889.663838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.663838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.663838 (E_RNA)
where:
Base-Base interactions energy: -590.400
where: short stacking energy: -284.515
Base-Backbone interact. energy: 1.041
local terms energy: -300.304667
where:
bonds (distance) C4'-P energy: -51.975
bonds (distance) P-C4' energy: -53.049
flat angles C4'-P-C4' energy: -59.235
flat angles P-C4'-P energy: -45.473
tors. eta vs tors. theta energy: -90.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -884.815176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.815176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.815176 (E_RNA)
where:
Base-Base interactions energy: -609.244
where: short stacking energy: -278.531
Base-Backbone interact. energy: 0.042
local terms energy: -275.613149
where:
bonds (distance) C4'-P energy: -47.035
bonds (distance) P-C4' energy: -45.217
flat angles C4'-P-C4' energy: -63.388
flat angles P-C4'-P energy: -39.030
tors. eta vs tors. theta energy: -80.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -786.561817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.561817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.561817 (E_RNA)
where:
Base-Base interactions energy: -530.125
where: short stacking energy: -227.168
Base-Backbone interact. energy: -2.474
local terms energy: -253.963132
where:
bonds (distance) C4'-P energy: -47.058
bonds (distance) P-C4' energy: -51.803
flat angles C4'-P-C4' energy: -53.663
flat angles P-C4'-P energy: -36.762
tors. eta vs tors. theta energy: -64.677
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: 6, replica: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -814.362242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.362242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.362242 (E_RNA)
where:
Base-Base interactions energy: -556.515
where: short stacking energy: -238.642
Base-Backbone interact. energy: -0.379
local terms energy: -257.468416
where:
bonds (distance) C4'-P energy: -46.510
bonds (distance) P-C4' energy: -47.794
flat angles C4'-P-C4' energy: -51.068
flat angles P-C4'-P energy: -38.430
tors. eta vs tors. theta energy: -73.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -753.929644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.929644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.929644 (E_RNA)
where:
Base-Base interactions energy: -523.916
where: short stacking energy: -232.218
Base-Backbone interact. energy: -0.437
local terms energy: -229.577264
where:
bonds (distance) C4'-P energy: -35.442
bonds (distance) P-C4' energy: -46.338
flat angles C4'-P-C4' energy: -52.193
flat angles P-C4'-P energy: -29.690
tors. eta vs tors. theta energy: -65.915
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: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -540.691247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.691247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.691247 (E_RNA)
where:
Base-Base interactions energy: -339.523
where: short stacking energy: -162.638
Base-Backbone interact. energy: -0.420
local terms energy: -200.748177
where:
bonds (distance) C4'-P energy: -39.619
bonds (distance) P-C4' energy: -41.679
flat angles C4'-P-C4' energy: -51.639
flat angles P-C4'-P energy: -27.024
tors. eta vs tors. theta energy: -40.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -558.321405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.321405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.321405 (E_RNA)
where:
Base-Base interactions energy: -369.795
where: short stacking energy: -157.663
Base-Backbone interact. energy: 1.504
local terms energy: -190.030345
where:
bonds (distance) C4'-P energy: -45.739
bonds (distance) P-C4' energy: -34.697
flat angles C4'-P-C4' energy: -49.645
flat angles P-C4'-P energy: -31.201
tors. eta vs tors. theta energy: -28.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -278.329664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.329664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.329664 (E_RNA)
where:
Base-Base interactions energy: -114.879
where: short stacking energy: -87.153
Base-Backbone interact. energy: 1.208
local terms energy: -164.658781
where:
bonds (distance) C4'-P energy: -49.371
bonds (distance) P-C4' energy: -39.677
flat angles C4'-P-C4' energy: -29.907
flat angles P-C4'-P energy: -34.951
tors. eta vs tors. theta energy: -10.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -961.123669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.123669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.123669 (E_RNA)
where:
Base-Base interactions energy: -667.198
where: short stacking energy: -291.213
Base-Backbone interact. energy: 0.435
local terms energy: -294.360912
where:
bonds (distance) C4'-P energy: -48.734
bonds (distance) P-C4' energy: -54.238
flat angles C4'-P-C4' energy: -61.978
flat angles P-C4'-P energy: -37.495
tors. eta vs tors. theta energy: -91.916
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: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -943.667094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.667094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.667094 (E_RNA)
where:
Base-Base interactions energy: -655.241
where: short stacking energy: -281.986
Base-Backbone interact. energy: -1.111
local terms energy: -287.314769
where:
bonds (distance) C4'-P energy: -52.356
bonds (distance) P-C4' energy: -53.479
flat angles C4'-P-C4' energy: -57.911
flat angles P-C4'-P energy: -40.056
tors. eta vs tors. theta energy: -83.513
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: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -870.814120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.814120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.814120 (E_RNA)
where:
Base-Base interactions energy: -612.452
where: short stacking energy: -286.145
Base-Backbone interact. energy: 1.299
local terms energy: -259.660346
where:
bonds (distance) C4'-P energy: -48.410
bonds (distance) P-C4' energy: -44.568
flat angles C4'-P-C4' energy: -57.901
flat angles P-C4'-P energy: -27.938
tors. eta vs tors. theta energy: -80.843
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: 388
Temperature: 1.050000
Total energy: -880.903676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.903676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.903676 (E_RNA)
where:
Base-Base interactions energy: -609.601
where: short stacking energy: -269.424
Base-Backbone interact. energy: -0.354
local terms energy: -270.949099
where:
bonds (distance) C4'-P energy: -36.981
bonds (distance) P-C4' energy: -52.309
flat angles C4'-P-C4' energy: -56.724
flat angles P-C4'-P energy: -42.781
tors. eta vs tors. theta energy: -82.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -837.131933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.131933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.131933 (E_RNA)
where:
Base-Base interactions energy: -565.335
where: short stacking energy: -255.254
Base-Backbone interact. energy: -0.103
local terms energy: -271.694846
where:
bonds (distance) C4'-P energy: -48.360
bonds (distance) P-C4' energy: -43.953
flat angles C4'-P-C4' energy: -62.500
flat angles P-C4'-P energy: -41.033
tors. eta vs tors. theta energy: -75.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -765.672429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.672429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.672429 (E_RNA)
where:
Base-Base interactions energy: -527.616
where: short stacking energy: -224.166
Base-Backbone interact. energy: 1.005
local terms energy: -239.061189
where:
bonds (distance) C4'-P energy: -49.840
bonds (distance) P-C4' energy: -39.219
flat angles C4'-P-C4' energy: -48.144
flat angles P-C4'-P energy: -31.211
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: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -734.771054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.771054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.771054 (E_RNA)
where:
Base-Base interactions energy: -496.754
where: short stacking energy: -216.017
Base-Backbone interact. energy: -1.023
local terms energy: -236.993959
where:
bonds (distance) C4'-P energy: -44.755
bonds (distance) P-C4' energy: -42.396
flat angles C4'-P-C4' energy: -57.845
flat angles P-C4'-P energy: -29.959
tors. eta vs tors. theta energy: -62.039
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: 8, replica: 7
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -526.250741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.250741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.250741 (E_RNA)
where:
Base-Base interactions energy: -329.077
where: short stacking energy: -145.604
Base-Backbone interact. energy: 0.274
local terms energy: -197.448363
where:
bonds (distance) C4'-P energy: -47.152
bonds (distance) P-C4' energy: -47.750
flat angles C4'-P-C4' energy: -53.771
flat angles P-C4'-P energy: -25.316
tors. eta vs tors. theta energy: -23.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -569.327132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.327132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.327132 (E_RNA)
where:
Base-Base interactions energy: -374.088
where: short stacking energy: -166.120
Base-Backbone interact. energy: -1.573
local terms energy: -193.665942
where:
bonds (distance) C4'-P energy: -33.046
bonds (distance) P-C4' energy: -43.891
flat angles C4'-P-C4' energy: -44.807
flat angles P-C4'-P energy: -38.841
tors. eta vs tors. theta energy: -33.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -225.278926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.278926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.278926 (E_RNA)
where:
Base-Base interactions energy: -99.964
where: short stacking energy: -80.798
Base-Backbone interact. energy: -0.122
local terms energy: -125.192644
where:
bonds (distance) C4'-P energy: -32.994
bonds (distance) P-C4' energy: -48.676
flat angles C4'-P-C4' energy: -36.066
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: 6.014
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: 389
Temperature: 0.900000
Total energy: -950.786623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.786623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.786623 (E_RNA)
where:
Base-Base interactions energy: -650.401
where: short stacking energy: -280.313
Base-Backbone interact. energy: -0.709
local terms energy: -299.676327
where:
bonds (distance) C4'-P energy: -47.504
bonds (distance) P-C4' energy: -55.888
flat angles C4'-P-C4' energy: -62.478
flat angles P-C4'-P energy: -48.591
tors. eta vs tors. theta energy: -85.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -932.175787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.175787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.175787 (E_RNA)
where:
Base-Base interactions energy: -640.457
where: short stacking energy: -283.570
Base-Backbone interact. energy: 0.280
local terms energy: -291.998150
where:
bonds (distance) C4'-P energy: -52.151
bonds (distance) P-C4' energy: -50.917
flat angles C4'-P-C4' energy: -62.426
flat angles P-C4'-P energy: -39.215
tors. eta vs tors. theta energy: -87.290
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: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -869.221838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.221838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.221838 (E_RNA)
where:
Base-Base interactions energy: -593.552
where: short stacking energy: -258.728
Base-Backbone interact. energy: -0.991
local terms energy: -274.678709
where:
bonds (distance) C4'-P energy: -49.245
bonds (distance) P-C4' energy: -48.913
flat angles C4'-P-C4' energy: -56.746
flat angles P-C4'-P energy: -43.792
tors. eta vs tors. theta energy: -75.982
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: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -841.786488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.786488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.786488 (E_RNA)
where:
Base-Base interactions energy: -577.570
where: short stacking energy: -244.167
Base-Backbone interact. energy: -0.135
local terms energy: -264.081282
where:
bonds (distance) C4'-P energy: -46.988
bonds (distance) P-C4' energy: -53.228
flat angles C4'-P-C4' energy: -55.138
flat angles P-C4'-P energy: -37.026
tors. eta vs tors. theta energy: -71.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -861.466875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.466875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.466875 (E_RNA)
where:
Base-Base interactions energy: -595.367
where: short stacking energy: -255.305
Base-Backbone interact. energy: 0.077
local terms energy: -266.176771
where:
bonds (distance) C4'-P energy: -53.284
bonds (distance) P-C4' energy: -47.006
flat angles C4'-P-C4' energy: -49.909
flat angles P-C4'-P energy: -36.336
tors. eta vs tors. theta energy: -79.642
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: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -768.341239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.341239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.341239 (E_RNA)
where:
Base-Base interactions energy: -524.196
where: short stacking energy: -213.439
Base-Backbone interact. energy: 1.563
local terms energy: -245.708596
where:
bonds (distance) C4'-P energy: -47.732
bonds (distance) P-C4' energy: -49.186
flat angles C4'-P-C4' energy: -50.755
flat angles P-C4'-P energy: -41.485
tors. eta vs tors. theta energy: -56.551
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: 5
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -748.503071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.503071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.503071 (E_RNA)
where:
Base-Base interactions energy: -513.284
where: short stacking energy: -222.127
Base-Backbone interact. energy: -0.505
local terms energy: -234.713463
where:
bonds (distance) C4'-P energy: -48.072
bonds (distance) P-C4' energy: -39.540
flat angles C4'-P-C4' energy: -41.073
flat angles P-C4'-P energy: -41.488
tors. eta vs tors. theta energy: -64.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -591.462226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.462226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.462226 (E_RNA)
where:
Base-Base interactions energy: -383.355
where: short stacking energy: -162.382
Base-Backbone interact. energy: 0.055
local terms energy: -208.162097
where:
bonds (distance) C4'-P energy: -41.838
bonds (distance) P-C4' energy: -51.415
flat angles C4'-P-C4' energy: -49.596
flat angles P-C4'-P energy: -26.413
tors. eta vs tors. theta energy: -38.900
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: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -495.663241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.663241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.663241 (E_RNA)
where:
Base-Base interactions energy: -313.809
where: short stacking energy: -145.909
Base-Backbone interact. energy: -0.678
local terms energy: -181.176311
where:
bonds (distance) C4'-P energy: -42.306
bonds (distance) P-C4' energy: -36.270
flat angles C4'-P-C4' energy: -55.804
flat angles P-C4'-P energy: -22.604
tors. eta vs tors. theta energy: -24.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -221.059504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.059504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.059504 (E_RNA)
where:
Base-Base interactions energy: -69.414
where: short stacking energy: -48.518
Base-Backbone interact. energy: 1.459
local terms energy: -153.104510
where:
bonds (distance) C4'-P energy: -47.618
bonds (distance) P-C4' energy: -43.927
flat angles C4'-P-C4' energy: -32.326
flat angles P-C4'-P energy: -31.220
tors. eta vs tors. theta energy: 1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -978.689364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.689364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.689364 (E_RNA)
where:
Base-Base interactions energy: -669.990
where: short stacking energy: -292.861
Base-Backbone interact. energy: -0.262
local terms energy: -308.437818
where:
bonds (distance) C4'-P energy: -54.347
bonds (distance) P-C4' energy: -55.114
flat angles C4'-P-C4' energy: -57.114
flat angles P-C4'-P energy: -47.153
tors. eta vs tors. theta energy: -94.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -943.971355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.971355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.971355 (E_RNA)
where:
Base-Base interactions energy: -638.126
where: short stacking energy: -284.896
Base-Backbone interact. energy: -1.593
local terms energy: -304.252840
where:
bonds (distance) C4'-P energy: -54.129
bonds (distance) P-C4' energy: -56.228
flat angles C4'-P-C4' energy: -65.098
flat angles P-C4'-P energy: -45.433
tors. eta vs tors. theta energy: -83.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -882.386780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.386780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.386780 (E_RNA)
where:
Base-Base interactions energy: -611.786
where: short stacking energy: -278.454
Base-Backbone interact. energy: -0.612
local terms energy: -269.988848
where:
bonds (distance) C4'-P energy: -47.590
bonds (distance) P-C4' energy: -54.469
flat angles C4'-P-C4' energy: -53.328
flat angles P-C4'-P energy: -36.414
tors. eta vs tors. theta energy: -78.187
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: 4, replica: 9
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -859.815954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.815954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.815954 (E_RNA)
where:
Base-Base interactions energy: -606.963
where: short stacking energy: -258.418
Base-Backbone interact. energy: 2.344
local terms energy: -255.197897
where:
bonds (distance) C4'-P energy: -41.853
bonds (distance) P-C4' energy: -39.908
flat angles C4'-P-C4' energy: -58.593
flat angles P-C4'-P energy: -42.113
tors. eta vs tors. theta energy: -72.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -860.020005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.020005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.020005 (E_RNA)
where:
Base-Base interactions energy: -598.653
where: short stacking energy: -245.860
Base-Backbone interact. energy: -1.021
local terms energy: -260.345942
where:
bonds (distance) C4'-P energy: -47.421
bonds (distance) P-C4' energy: -53.612
flat angles C4'-P-C4' energy: -58.251
flat angles P-C4'-P energy: -25.493
tors. eta vs tors. theta energy: -75.569
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: 390
Temperature: 1.150000
Total energy: -753.004340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.004340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.004340 (E_RNA)
where:
Base-Base interactions energy: -538.744
where: short stacking energy: -218.930
Base-Backbone interact. energy: 1.495
local terms energy: -215.755062
where:
bonds (distance) C4'-P energy: -39.825
bonds (distance) P-C4' energy: -38.430
flat angles C4'-P-C4' energy: -54.391
flat angles P-C4'-P energy: -21.611
tors. eta vs tors. theta energy: -61.498
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: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -778.160027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.160027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.160027 (E_RNA)
where:
Base-Base interactions energy: -535.486
where: short stacking energy: -231.990
Base-Backbone interact. energy: -0.261
local terms energy: -242.413689
where:
bonds (distance) C4'-P energy: -44.510
bonds (distance) P-C4' energy: -44.346
flat angles C4'-P-C4' energy: -54.800
flat angles P-C4'-P energy: -37.862
tors. eta vs tors. theta energy: -60.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -588.488660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.488660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.488660 (E_RNA)
where:
Base-Base interactions energy: -399.157
where: short stacking energy: -180.364
Base-Backbone interact. energy: -0.278
local terms energy: -189.054227
where:
bonds (distance) C4'-P energy: -36.834
bonds (distance) P-C4' energy: -38.882
flat angles C4'-P-C4' energy: -46.701
flat angles P-C4'-P energy: -27.516
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: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -515.788236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.788236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.788236 (E_RNA)
where:
Base-Base interactions energy: -323.840
where: short stacking energy: -135.377
Base-Backbone interact. energy: -1.182
local terms energy: -190.765598
where:
bonds (distance) C4'-P energy: -44.916
bonds (distance) P-C4' energy: -50.737
flat angles C4'-P-C4' energy: -42.494
flat angles P-C4'-P energy: -26.865
tors. eta vs tors. theta energy: -25.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -234.132011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.132011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.132011 (E_RNA)
where:
Base-Base interactions energy: -85.761
where: short stacking energy: -61.678
Base-Backbone interact. energy: 0.937
local terms energy: -149.308035
where:
bonds (distance) C4'-P energy: -48.757
bonds (distance) P-C4' energy: -48.650
flat angles C4'-P-C4' energy: -42.157
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: 7.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -974.916723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.916723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.916723 (E_RNA)
where:
Base-Base interactions energy: -680.340
where: short stacking energy: -302.082
Base-Backbone interact. energy: 0.614
local terms energy: -295.190262
where:
bonds (distance) C4'-P energy: -52.388
bonds (distance) P-C4' energy: -50.907
flat angles C4'-P-C4' energy: -63.676
flat angles P-C4'-P energy: -39.265
tors. eta vs tors. theta energy: -88.954
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: 391
Temperature: 0.950000
Total energy: -935.116797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.116797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.116797 (E_RNA)
where:
Base-Base interactions energy: -644.975
where: short stacking energy: -290.671
Base-Backbone interact. energy: -0.404
local terms energy: -289.737718
where:
bonds (distance) C4'-P energy: -54.258
bonds (distance) P-C4' energy: -44.484
flat angles C4'-P-C4' energy: -60.825
flat angles P-C4'-P energy: -44.819
tors. eta vs tors. theta energy: -85.353
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: 6
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -876.362332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.362332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.362332 (E_RNA)
where:
Base-Base interactions energy: -602.046
where: short stacking energy: -270.542
Base-Backbone interact. energy: -1.430
local terms energy: -272.885825
where:
bonds (distance) C4'-P energy: -47.241
bonds (distance) P-C4' energy: -50.546
flat angles C4'-P-C4' energy: -53.102
flat angles P-C4'-P energy: -43.687
tors. eta vs tors. theta energy: -78.309
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: 4, replica: 9
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -853.862506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.862506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.862506 (E_RNA)
where:
Base-Base interactions energy: -583.248
where: short stacking energy: -258.417
Base-Backbone interact. energy: -0.836
local terms energy: -269.778813
where:
bonds (distance) C4'-P energy: -52.282
bonds (distance) P-C4' energy: -48.805
flat angles C4'-P-C4' energy: -53.627
flat angles P-C4'-P energy: -36.086
tors. eta vs tors. theta energy: -78.979
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: 2
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -844.096911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.096911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.096911 (E_RNA)
where:
Base-Base interactions energy: -572.874
where: short stacking energy: -244.648
Base-Backbone interact. energy: -1.616
local terms energy: -269.607367
where:
bonds (distance) C4'-P energy: -55.365
bonds (distance) P-C4' energy: -50.529
flat angles C4'-P-C4' energy: -54.063
flat angles P-C4'-P energy: -34.532
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: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -798.021982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.021982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.021982 (E_RNA)
where:
Base-Base interactions energy: -541.408
where: short stacking energy: -233.806
Base-Backbone interact. energy: -0.202
local terms energy: -256.411997
where:
bonds (distance) C4'-P energy: -50.905
bonds (distance) P-C4' energy: -54.029
flat angles C4'-P-C4' energy: -49.875
flat angles P-C4'-P energy: -36.128
tors. eta vs tors. theta energy: -65.474
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: 391
Temperature: 1.200000
Total energy: -738.564446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.564446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.564446 (E_RNA)
where:
Base-Base interactions energy: -505.058
where: short stacking energy: -203.312
Base-Backbone interact. energy: 0.367
local terms energy: -233.874107
where:
bonds (distance) C4'-P energy: -47.209
bonds (distance) P-C4' energy: -49.511
flat angles C4'-P-C4' energy: -52.831
flat angles P-C4'-P energy: -36.113
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: 8, replica: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -621.742390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.742390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.742390 (E_RNA)
where:
Base-Base interactions energy: -412.258
where: short stacking energy: -181.992
Base-Backbone interact. energy: 1.243
local terms energy: -210.727538
where:
bonds (distance) C4'-P energy: -45.508
bonds (distance) P-C4' energy: -46.343
flat angles C4'-P-C4' energy: -45.104
flat angles P-C4'-P energy: -25.061
tors. eta vs tors. theta energy: -48.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -494.974463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.974463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.974463 (E_RNA)
where:
Base-Base interactions energy: -309.714
where: short stacking energy: -122.190
Base-Backbone interact. energy: 1.254
local terms energy: -186.514424
where:
bonds (distance) C4'-P energy: -36.950
bonds (distance) P-C4' energy: -48.208
flat angles C4'-P-C4' energy: -45.563
flat angles P-C4'-P energy: -31.644
tors. eta vs tors. theta energy: -24.150
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: 391
Temperature: 1.350000
Total energy: -238.594707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.594707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.594707 (E_RNA)
where:
Base-Base interactions energy: -80.123
where: short stacking energy: -79.412
Base-Backbone interact. energy: 2.606
local terms energy: -161.077838
where:
bonds (distance) C4'-P energy: -49.899
bonds (distance) P-C4' energy: -44.860
flat angles C4'-P-C4' energy: -40.119
flat angles P-C4'-P energy: -26.489
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: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -956.844999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.844999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.844999 (E_RNA)
where:
Base-Base interactions energy: -660.799
where: short stacking energy: -295.182
Base-Backbone interact. energy: -0.902
local terms energy: -295.143744
where:
bonds (distance) C4'-P energy: -44.519
bonds (distance) P-C4' energy: -56.725
flat angles C4'-P-C4' energy: -66.242
flat angles P-C4'-P energy: -35.610
tors. eta vs tors. theta energy: -92.048
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: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -925.493141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.493141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.493141 (E_RNA)
where:
Base-Base interactions energy: -640.882
where: short stacking energy: -294.961
Base-Backbone interact. energy: -1.034
local terms energy: -283.577524
where:
bonds (distance) C4'-P energy: -42.755
bonds (distance) P-C4' energy: -53.492
flat angles C4'-P-C4' energy: -57.155
flat angles P-C4'-P energy: -42.496
tors. eta vs tors. theta energy: -87.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -860.776046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.776046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.776046 (E_RNA)
where:
Base-Base interactions energy: -592.150
where: short stacking energy: -247.893
Base-Backbone interact. energy: -1.267
local terms energy: -267.358948
where:
bonds (distance) C4'-P energy: -53.702
bonds (distance) P-C4' energy: -44.796
flat angles C4'-P-C4' energy: -56.473
flat angles P-C4'-P energy: -42.052
tors. eta vs tors. theta energy: -70.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -862.408084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.408084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.408084 (E_RNA)
where:
Base-Base interactions energy: -591.454
where: short stacking energy: -248.566
Base-Backbone interact. energy: -1.801
local terms energy: -269.153353
where:
bonds (distance) C4'-P energy: -60.610
bonds (distance) P-C4' energy: -44.521
flat angles C4'-P-C4' energy: -57.202
flat angles P-C4'-P energy: -31.656
tors. eta vs tors. theta energy: -75.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -792.157936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.157936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.157936 (E_RNA)
where:
Base-Base interactions energy: -557.694
where: short stacking energy: -232.805
Base-Backbone interact. energy: -1.967
local terms energy: -232.497545
where:
bonds (distance) C4'-P energy: -49.385
bonds (distance) P-C4' energy: -40.496
flat angles C4'-P-C4' energy: -49.739
flat angles P-C4'-P energy: -26.946
tors. eta vs tors. theta energy: -65.931
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: 2
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -819.949005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.949005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.949005 (E_RNA)
where:
Base-Base interactions energy: -569.031
where: short stacking energy: -234.108
Base-Backbone interact. energy: -0.154
local terms energy: -250.763479
where:
bonds (distance) C4'-P energy: -52.199
bonds (distance) P-C4' energy: -37.016
flat angles C4'-P-C4' energy: -55.644
flat angles P-C4'-P energy: -39.072
tors. eta vs tors. theta energy: -66.833
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: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -723.515531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.515531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.515531 (E_RNA)
where:
Base-Base interactions energy: -480.346
where: short stacking energy: -203.207
Base-Backbone interact. energy: 1.151
local terms energy: -244.321078
where:
bonds (distance) C4'-P energy: -58.895
bonds (distance) P-C4' energy: -49.442
flat angles C4'-P-C4' energy: -49.595
flat angles P-C4'-P energy: -37.737
tors. eta vs tors. theta energy: -48.652
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: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -610.444515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.444515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.444515 (E_RNA)
where:
Base-Base interactions energy: -396.164
where: short stacking energy: -188.102
Base-Backbone interact. energy: -0.704
local terms energy: -213.576421
where:
bonds (distance) C4'-P energy: -34.165
bonds (distance) P-C4' energy: -49.637
flat angles C4'-P-C4' energy: -43.392
flat angles P-C4'-P energy: -35.745
tors. eta vs tors. theta energy: -50.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -467.644772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.644772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.644772 (E_RNA)
where:
Base-Base interactions energy: -284.516
where: short stacking energy: -138.803
Base-Backbone interact. energy: -1.013
local terms energy: -182.115685
where:
bonds (distance) C4'-P energy: -35.698
bonds (distance) P-C4' energy: -43.305
flat angles C4'-P-C4' energy: -53.113
flat angles P-C4'-P energy: -32.702
tors. eta vs tors. theta energy: -17.298
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: 392
Temperature: 1.350000
Total energy: -222.386843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.386843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.386843 (E_RNA)
where:
Base-Base interactions energy: -81.943
where: short stacking energy: -61.675
Base-Backbone interact. energy: -0.124
local terms energy: -140.320237
where:
bonds (distance) C4'-P energy: -47.667
bonds (distance) P-C4' energy: -47.270
flat angles C4'-P-C4' energy: -41.702
flat angles P-C4'-P energy: -17.505
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: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -965.665329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.665329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.665329 (E_RNA)
where:
Base-Base interactions energy: -650.475
where: short stacking energy: -298.621
Base-Backbone interact. energy: -0.506
local terms energy: -314.684868
where:
bonds (distance) C4'-P energy: -50.504
bonds (distance) P-C4' energy: -55.838
flat angles C4'-P-C4' energy: -69.162
flat angles P-C4'-P energy: -47.799
tors. eta vs tors. theta energy: -91.382
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: 393
Temperature: 0.950000
Total energy: -925.230330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.230330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.230330 (E_RNA)
where:
Base-Base interactions energy: -648.053
where: short stacking energy: -276.735
Base-Backbone interact. energy: -1.061
local terms energy: -276.116629
where:
bonds (distance) C4'-P energy: -46.092
bonds (distance) P-C4' energy: -50.150
flat angles C4'-P-C4' energy: -61.042
flat angles P-C4'-P energy: -38.155
tors. eta vs tors. theta energy: -80.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -871.096096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.096096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.096096 (E_RNA)
where:
Base-Base interactions energy: -596.218
where: short stacking energy: -268.186
Base-Backbone interact. energy: -0.465
local terms energy: -274.413120
where:
bonds (distance) C4'-P energy: -49.690
bonds (distance) P-C4' energy: -57.218
flat angles C4'-P-C4' energy: -48.085
flat angles P-C4'-P energy: -46.259
tors. eta vs tors. theta energy: -73.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -826.218581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.218581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.218581 (E_RNA)
where:
Base-Base interactions energy: -573.055
where: short stacking energy: -251.775
Base-Backbone interact. energy: 0.039
local terms energy: -253.203317
where:
bonds (distance) C4'-P energy: -47.033
bonds (distance) P-C4' energy: -45.666
flat angles C4'-P-C4' energy: -54.595
flat angles P-C4'-P energy: -37.886
tors. eta vs tors. theta energy: -68.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -806.705779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.705779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.705779 (E_RNA)
where:
Base-Base interactions energy: -560.785
where: short stacking energy: -227.602
Base-Backbone interact. energy: -0.365
local terms energy: -245.555948
where:
bonds (distance) C4'-P energy: -44.387
bonds (distance) P-C4' energy: -51.266
flat angles C4'-P-C4' energy: -55.268
flat angles P-C4'-P energy: -32.098
tors. eta vs tors. theta energy: -62.537
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: 393
Temperature: 1.150000
Total energy: -783.664060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.664060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.664060 (E_RNA)
where:
Base-Base interactions energy: -545.641
where: short stacking energy: -224.616
Base-Backbone interact. energy: 0.069
local terms energy: -238.091922
where:
bonds (distance) C4'-P energy: -42.666
bonds (distance) P-C4' energy: -48.411
flat angles C4'-P-C4' energy: -54.573
flat angles P-C4'-P energy: -34.727
tors. eta vs tors. theta energy: -57.715
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: 8
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -738.299699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.299699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.299699 (E_RNA)
where:
Base-Base interactions energy: -495.360
where: short stacking energy: -210.560
Base-Backbone interact. energy: -0.582
local terms energy: -242.358189
where:
bonds (distance) C4'-P energy: -41.859
bonds (distance) P-C4' energy: -53.050
flat angles C4'-P-C4' energy: -51.345
flat angles P-C4'-P energy: -34.761
tors. eta vs tors. theta energy: -61.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -615.503431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.503431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.503431 (E_RNA)
where:
Base-Base interactions energy: -415.681
where: short stacking energy: -199.888
Base-Backbone interact. energy: -0.610
local terms energy: -199.212156
where:
bonds (distance) C4'-P energy: -52.844
bonds (distance) P-C4' energy: -28.797
flat angles C4'-P-C4' energy: -41.813
flat angles P-C4'-P energy: -21.507
tors. eta vs tors. theta energy: -54.250
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: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -467.095403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.095403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.095403 (E_RNA)
where:
Base-Base interactions energy: -282.437
where: short stacking energy: -128.325
Base-Backbone interact. energy: 1.173
local terms energy: -185.831612
where:
bonds (distance) C4'-P energy: -46.185
bonds (distance) P-C4' energy: -45.979
flat angles C4'-P-C4' energy: -43.839
flat angles P-C4'-P energy: -28.642
tors. eta vs tors. theta energy: -21.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -233.307736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.307736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.307736 (E_RNA)
where:
Base-Base interactions energy: -96.336
where: short stacking energy: -72.671
Base-Backbone interact. energy: -2.485
local terms energy: -134.486721
where:
bonds (distance) C4'-P energy: -44.405
bonds (distance) P-C4' energy: -43.910
flat angles C4'-P-C4' energy: -29.903
flat angles P-C4'-P energy: -21.034
tors. eta vs tors. theta energy: 4.765
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: 394
Temperature: 0.900000
Total energy: -941.580689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.580689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.580689 (E_RNA)
where:
Base-Base interactions energy: -645.557
where: short stacking energy: -286.133
Base-Backbone interact. energy: -1.194
local terms energy: -294.830485
where:
bonds (distance) C4'-P energy: -55.516
bonds (distance) P-C4' energy: -50.426
flat angles C4'-P-C4' energy: -60.029
flat angles P-C4'-P energy: -45.575
tors. eta vs tors. theta energy: -83.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -941.556466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.556466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.556466 (E_RNA)
where:
Base-Base interactions energy: -642.098
where: short stacking energy: -273.734
Base-Backbone interact. energy: -0.139
local terms energy: -299.320008
where:
bonds (distance) C4'-P energy: -56.702
bonds (distance) P-C4' energy: -52.879
flat angles C4'-P-C4' energy: -60.872
flat angles P-C4'-P energy: -43.180
tors. eta vs tors. theta energy: -85.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -860.562873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.562873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.562873 (E_RNA)
where:
Base-Base interactions energy: -595.266
where: short stacking energy: -274.289
Base-Backbone interact. energy: -0.350
local terms energy: -264.946685
where:
bonds (distance) C4'-P energy: -41.467
bonds (distance) P-C4' energy: -47.082
flat angles C4'-P-C4' energy: -52.120
flat angles P-C4'-P energy: -46.431
tors. eta vs tors. theta energy: -77.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -830.707085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.707085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.707085 (E_RNA)
where:
Base-Base interactions energy: -571.500
where: short stacking energy: -247.383
Base-Backbone interact. energy: 1.336
local terms energy: -260.542607
where:
bonds (distance) C4'-P energy: -55.190
bonds (distance) P-C4' energy: -48.032
flat angles C4'-P-C4' energy: -52.212
flat angles P-C4'-P energy: -37.639
tors. eta vs tors. theta energy: -67.470
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: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -794.788472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.788472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.788472 (E_RNA)
where:
Base-Base interactions energy: -551.656
where: short stacking energy: -232.207
Base-Backbone interact. energy: -0.151
local terms energy: -242.981335
where:
bonds (distance) C4'-P energy: -43.961
bonds (distance) P-C4' energy: -37.126
flat angles C4'-P-C4' energy: -61.179
flat angles P-C4'-P energy: -36.018
tors. eta vs tors. theta energy: -64.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -818.328776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.328776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.328776 (E_RNA)
where:
Base-Base interactions energy: -552.308
where: short stacking energy: -235.424
Base-Backbone interact. energy: 3.366
local terms energy: -269.386850
where:
bonds (distance) C4'-P energy: -56.338
bonds (distance) P-C4' energy: -42.339
flat angles C4'-P-C4' energy: -54.680
flat angles P-C4'-P energy: -36.299
tors. eta vs tors. theta energy: -79.730
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: 8
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -723.834448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.834448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.834448 (E_RNA)
where:
Base-Base interactions energy: -501.456
where: short stacking energy: -203.759
Base-Backbone interact. energy: -0.732
local terms energy: -221.646779
where:
bonds (distance) C4'-P energy: -46.840
bonds (distance) P-C4' energy: -50.220
flat angles C4'-P-C4' energy: -41.021
flat angles P-C4'-P energy: -30.460
tors. eta vs tors. theta energy: -53.105
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: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -613.726683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.726683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.726683 (E_RNA)
where:
Base-Base interactions energy: -422.385
where: short stacking energy: -201.675
Base-Backbone interact. energy: -0.273
local terms energy: -191.068564
where:
bonds (distance) C4'-P energy: -31.054
bonds (distance) P-C4' energy: -50.525
flat angles C4'-P-C4' energy: -43.721
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -49.071
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: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -448.724072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.724072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.724072 (E_RNA)
where:
Base-Base interactions energy: -281.087
where: short stacking energy: -129.700
Base-Backbone interact. energy: 0.347
local terms energy: -167.983671
where:
bonds (distance) C4'-P energy: -38.637
bonds (distance) P-C4' energy: -48.458
flat angles C4'-P-C4' energy: -40.652
flat angles P-C4'-P energy: -21.004
tors. eta vs tors. theta energy: -19.232
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: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -235.248060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.248060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.248060 (E_RNA)
where:
Base-Base interactions energy: -100.691
where: short stacking energy: -49.293
Base-Backbone interact. energy: -1.223
local terms energy: -133.334121
where:
bonds (distance) C4'-P energy: -39.159
bonds (distance) P-C4' energy: -43.306
flat angles C4'-P-C4' energy: -42.149
flat angles P-C4'-P energy: -23.486
tors. eta vs tors. theta energy: 14.765
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: 395
Temperature: 0.900000
Total energy: -949.571748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.571748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.571748 (E_RNA)
where:
Base-Base interactions energy: -650.665
where: short stacking energy: -306.203
Base-Backbone interact. energy: -0.345
local terms energy: -298.562033
where:
bonds (distance) C4'-P energy: -45.894
bonds (distance) P-C4' energy: -54.904
flat angles C4'-P-C4' energy: -65.636
flat angles P-C4'-P energy: -37.003
tors. eta vs tors. theta energy: -95.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -934.475039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.475039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.475039 (E_RNA)
where:
Base-Base interactions energy: -645.187
where: short stacking energy: -294.947
Base-Backbone interact. energy: 1.426
local terms energy: -290.714797
where:
bonds (distance) C4'-P energy: -48.590
bonds (distance) P-C4' energy: -53.296
flat angles C4'-P-C4' energy: -64.687
flat angles P-C4'-P energy: -38.678
tors. eta vs tors. theta energy: -85.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -850.732260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.732260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.732260 (E_RNA)
where:
Base-Base interactions energy: -566.618
where: short stacking energy: -261.506
Base-Backbone interact. energy: -0.601
local terms energy: -283.514173
where:
bonds (distance) C4'-P energy: -51.596
bonds (distance) P-C4' energy: -62.615
flat angles C4'-P-C4' energy: -56.487
flat angles P-C4'-P energy: -37.532
tors. eta vs tors. theta energy: -75.284
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: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -838.253779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.253779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.253779 (E_RNA)
where:
Base-Base interactions energy: -555.977
where: short stacking energy: -260.484
Base-Backbone interact. energy: -0.568
local terms energy: -281.708875
where:
bonds (distance) C4'-P energy: -50.017
bonds (distance) P-C4' energy: -52.476
flat angles C4'-P-C4' energy: -63.620
flat angles P-C4'-P energy: -41.141
tors. eta vs tors. theta energy: -74.455
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: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -813.742165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.742165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.742165 (E_RNA)
where:
Base-Base interactions energy: -562.220
where: short stacking energy: -232.857
Base-Backbone interact. energy: 0.301
local terms energy: -251.822840
where:
bonds (distance) C4'-P energy: -45.772
bonds (distance) P-C4' energy: -54.993
flat angles C4'-P-C4' energy: -53.356
flat angles P-C4'-P energy: -37.195
tors. eta vs tors. theta energy: -60.507
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: 2
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -807.347001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.347001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.347001 (E_RNA)
where:
Base-Base interactions energy: -552.720
where: short stacking energy: -230.642
Base-Backbone interact. energy: 0.129
local terms energy: -254.755989
where:
bonds (distance) C4'-P energy: -50.848
bonds (distance) P-C4' energy: -46.807
flat angles C4'-P-C4' energy: -48.369
flat angles P-C4'-P energy: -36.903
tors. eta vs tors. theta energy: -71.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -717.925686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.925686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.925686 (E_RNA)
where:
Base-Base interactions energy: -493.619
where: short stacking energy: -197.169
Base-Backbone interact. energy: -0.864
local terms energy: -223.442560
where:
bonds (distance) C4'-P energy: -43.013
bonds (distance) P-C4' energy: -51.213
flat angles C4'-P-C4' energy: -51.344
flat angles P-C4'-P energy: -28.338
tors. eta vs tors. theta energy: -49.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -552.298584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.298584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.298584 (E_RNA)
where:
Base-Base interactions energy: -351.987
where: short stacking energy: -163.527
Base-Backbone interact. energy: 0.120
local terms energy: -200.431692
where:
bonds (distance) C4'-P energy: -45.626
bonds (distance) P-C4' energy: -35.545
flat angles C4'-P-C4' energy: -47.972
flat angles P-C4'-P energy: -29.709
tors. eta vs tors. theta energy: -41.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -475.698274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.698274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.698274 (E_RNA)
where:
Base-Base interactions energy: -276.245
where: short stacking energy: -129.776
Base-Backbone interact. energy: 0.897
local terms energy: -200.350280
where:
bonds (distance) C4'-P energy: -50.977
bonds (distance) P-C4' energy: -56.396
flat angles C4'-P-C4' energy: -45.501
flat angles P-C4'-P energy: -25.769
tors. eta vs tors. theta energy: -21.707
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: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -264.956275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.956275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.956275 (E_RNA)
where:
Base-Base interactions energy: -127.968
where: short stacking energy: -64.648
Base-Backbone interact. energy: 0.040
local terms energy: -137.028091
where:
bonds (distance) C4'-P energy: -40.372
bonds (distance) P-C4' energy: -49.430
flat angles C4'-P-C4' energy: -31.793
flat angles P-C4'-P energy: -32.445
tors. eta vs tors. theta energy: 17.012
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: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -959.324982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.324982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.324982 (E_RNA)
where:
Base-Base interactions energy: -673.817
where: short stacking energy: -287.805
Base-Backbone interact. energy: -0.634
local terms energy: -284.873655
where:
bonds (distance) C4'-P energy: -51.222
bonds (distance) P-C4' energy: -51.448
flat angles C4'-P-C4' energy: -54.860
flat angles P-C4'-P energy: -41.466
tors. eta vs tors. theta energy: -85.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -933.523801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.523801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.523801 (E_RNA)
where:
Base-Base interactions energy: -638.120
where: short stacking energy: -273.268
Base-Backbone interact. energy: -1.832
local terms energy: -293.572154
where:
bonds (distance) C4'-P energy: -53.955
bonds (distance) P-C4' energy: -57.931
flat angles C4'-P-C4' energy: -57.252
flat angles P-C4'-P energy: -40.275
tors. eta vs tors. theta energy: -84.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -866.602407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.602407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.602407 (E_RNA)
where:
Base-Base interactions energy: -581.749
where: short stacking energy: -266.013
Base-Backbone interact. energy: -0.277
local terms energy: -284.575770
where:
bonds (distance) C4'-P energy: -52.715
bonds (distance) P-C4' energy: -58.543
flat angles C4'-P-C4' energy: -53.342
flat angles P-C4'-P energy: -42.695
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: 4, replica: 6
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -850.205046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.205046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.205046 (E_RNA)
where:
Base-Base interactions energy: -579.507
where: short stacking energy: -257.529
Base-Backbone interact. energy: -0.031
local terms energy: -270.666541
where:
bonds (distance) C4'-P energy: -47.555
bonds (distance) P-C4' energy: -52.586
flat angles C4'-P-C4' energy: -58.285
flat angles P-C4'-P energy: -35.585
tors. eta vs tors. theta energy: -76.655
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: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -801.286955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.286955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.286955 (E_RNA)
where:
Base-Base interactions energy: -551.532
where: short stacking energy: -250.520
Base-Backbone interact. energy: -1.249
local terms energy: -248.505768
where:
bonds (distance) C4'-P energy: -40.321
bonds (distance) P-C4' energy: -49.635
flat angles C4'-P-C4' energy: -45.041
flat angles P-C4'-P energy: -37.297
tors. eta vs tors. theta energy: -76.211
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: 2
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -798.078839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.078839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.078839 (E_RNA)
where:
Base-Base interactions energy: -555.858
where: short stacking energy: -229.491
Base-Backbone interact. energy: -1.744
local terms energy: -240.476703
where:
bonds (distance) C4'-P energy: -40.769
bonds (distance) P-C4' energy: -51.336
flat angles C4'-P-C4' energy: -47.155
flat angles P-C4'-P energy: -35.640
tors. eta vs tors. theta energy: -65.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -708.396763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.396763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.396763 (E_RNA)
where:
Base-Base interactions energy: -481.920
where: short stacking energy: -195.180
Base-Backbone interact. energy: -0.094
local terms energy: -226.382428
where:
bonds (distance) C4'-P energy: -52.578
bonds (distance) P-C4' energy: -41.778
flat angles C4'-P-C4' energy: -42.115
flat angles P-C4'-P energy: -42.288
tors. eta vs tors. theta energy: -47.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -519.126786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.126786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.126786 (E_RNA)
where:
Base-Base interactions energy: -325.249
where: short stacking energy: -129.590
Base-Backbone interact. energy: -0.662
local terms energy: -193.215470
where:
bonds (distance) C4'-P energy: -46.646
bonds (distance) P-C4' energy: -46.337
flat angles C4'-P-C4' energy: -41.867
flat angles P-C4'-P energy: -31.339
tors. eta vs tors. theta energy: -27.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -468.674383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.674383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.674383 (E_RNA)
where:
Base-Base interactions energy: -289.655
where: short stacking energy: -139.111
Base-Backbone interact. energy: -0.557
local terms energy: -178.462171
where:
bonds (distance) C4'-P energy: -29.486
bonds (distance) P-C4' energy: -47.230
flat angles C4'-P-C4' energy: -53.133
flat angles P-C4'-P energy: -31.334
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -220.578948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.578948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.578948 (E_RNA)
where:
Base-Base interactions energy: -113.192
where: short stacking energy: -70.296
Base-Backbone interact. energy: 2.016
local terms energy: -109.403491
where:
bonds (distance) C4'-P energy: -23.503
bonds (distance) P-C4' energy: -38.234
flat angles C4'-P-C4' energy: -43.438
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: 13.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -969.450845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.450845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.450845 (E_RNA)
where:
Base-Base interactions energy: -665.701
where: short stacking energy: -291.556
Base-Backbone interact. energy: -1.474
local terms energy: -302.275406
where:
bonds (distance) C4'-P energy: -52.743
bonds (distance) P-C4' energy: -53.993
flat angles C4'-P-C4' energy: -59.855
flat angles P-C4'-P energy: -47.664
tors. eta vs tors. theta energy: -88.021
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: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -931.561113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.561113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.561113 (E_RNA)
where:
Base-Base interactions energy: -634.617
where: short stacking energy: -280.619
Base-Backbone interact. energy: -0.184
local terms energy: -296.760096
where:
bonds (distance) C4'-P energy: -60.684
bonds (distance) P-C4' energy: -56.649
flat angles C4'-P-C4' energy: -63.143
flat angles P-C4'-P energy: -31.732
tors. eta vs tors. theta energy: -84.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -886.852944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.852944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.852944 (E_RNA)
where:
Base-Base interactions energy: -608.781
where: short stacking energy: -270.822
Base-Backbone interact. energy: 0.323
local terms energy: -278.395373
where:
bonds (distance) C4'-P energy: -47.969
bonds (distance) P-C4' energy: -48.458
flat angles C4'-P-C4' energy: -62.901
flat angles P-C4'-P energy: -37.234
tors. eta vs tors. theta energy: -81.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -851.160786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.160786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.160786 (E_RNA)
where:
Base-Base interactions energy: -584.085
where: short stacking energy: -257.801
Base-Backbone interact. energy: -1.181
local terms energy: -265.894475
where:
bonds (distance) C4'-P energy: -42.722
bonds (distance) P-C4' energy: -49.469
flat angles C4'-P-C4' energy: -60.770
flat angles P-C4'-P energy: -39.867
tors. eta vs tors. theta energy: -73.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -812.411185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.411185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.411185 (E_RNA)
where:
Base-Base interactions energy: -543.261
where: short stacking energy: -235.186
Base-Backbone interact. energy: 0.065
local terms energy: -269.214658
where:
bonds (distance) C4'-P energy: -48.207
bonds (distance) P-C4' energy: -51.850
flat angles C4'-P-C4' energy: -57.544
flat angles P-C4'-P energy: -40.413
tors. eta vs tors. theta energy: -71.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -786.262091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.262091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.262091 (E_RNA)
where:
Base-Base interactions energy: -562.957
where: short stacking energy: -239.963
Base-Backbone interact. energy: -0.546
local terms energy: -222.758794
where:
bonds (distance) C4'-P energy: -38.553
bonds (distance) P-C4' energy: -40.979
flat angles C4'-P-C4' energy: -46.965
flat angles P-C4'-P energy: -27.750
tors. eta vs tors. theta energy: -68.512
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: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -754.404706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.404706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.404706 (E_RNA)
where:
Base-Base interactions energy: -533.482
where: short stacking energy: -203.174
Base-Backbone interact. energy: -1.211
local terms energy: -219.712290
where:
bonds (distance) C4'-P energy: -40.938
bonds (distance) P-C4' energy: -46.995
flat angles C4'-P-C4' energy: -43.660
flat angles P-C4'-P energy: -32.670
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: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -547.711831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.711831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.711831 (E_RNA)
where:
Base-Base interactions energy: -346.848
where: short stacking energy: -176.046
Base-Backbone interact. energy: -0.198
local terms energy: -200.666189
where:
bonds (distance) C4'-P energy: -38.756
bonds (distance) P-C4' energy: -52.128
flat angles C4'-P-C4' energy: -42.741
flat angles P-C4'-P energy: -31.485
tors. eta vs tors. theta energy: -35.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -487.379118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.379118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.379118 (E_RNA)
where:
Base-Base interactions energy: -318.399
where: short stacking energy: -135.066
Base-Backbone interact. energy: -1.502
local terms energy: -167.477810
where:
bonds (distance) C4'-P energy: -35.308
bonds (distance) P-C4' energy: -43.243
flat angles C4'-P-C4' energy: -39.901
flat angles P-C4'-P energy: -24.367
tors. eta vs tors. theta energy: -24.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -230.291499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.291499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.291499 (E_RNA)
where:
Base-Base interactions energy: -77.885
where: short stacking energy: -55.923
Base-Backbone interact. energy: -0.728
local terms energy: -151.678028
where:
bonds (distance) C4'-P energy: -35.841
bonds (distance) P-C4' energy: -51.127
flat angles C4'-P-C4' energy: -54.786
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: 5.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -971.458011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.458011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.458011 (E_RNA)
where:
Base-Base interactions energy: -667.490
where: short stacking energy: -297.248
Base-Backbone interact. energy: -2.057
local terms energy: -301.910938
where:
bonds (distance) C4'-P energy: -54.363
bonds (distance) P-C4' energy: -59.423
flat angles C4'-P-C4' energy: -59.548
flat angles P-C4'-P energy: -35.649
tors. eta vs tors. theta energy: -92.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -917.481821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.481821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.481821 (E_RNA)
where:
Base-Base interactions energy: -628.930
where: short stacking energy: -267.899
Base-Backbone interact. energy: -0.551
local terms energy: -288.000485
where:
bonds (distance) C4'-P energy: -52.741
bonds (distance) P-C4' energy: -50.892
flat angles C4'-P-C4' energy: -62.316
flat angles P-C4'-P energy: -36.058
tors. eta vs tors. theta energy: -85.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -864.924031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.924031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.924031 (E_RNA)
where:
Base-Base interactions energy: -587.420
where: short stacking energy: -265.305
Base-Backbone interact. energy: 0.573
local terms energy: -278.076662
where:
bonds (distance) C4'-P energy: -51.224
bonds (distance) P-C4' energy: -55.915
flat angles C4'-P-C4' energy: -55.460
flat angles P-C4'-P energy: -36.670
tors. eta vs tors. theta energy: -78.806
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: 6
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -810.851580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.851580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.851580 (E_RNA)
where:
Base-Base interactions energy: -566.370
where: short stacking energy: -237.378
Base-Backbone interact. energy: 1.306
local terms energy: -245.787659
where:
bonds (distance) C4'-P energy: -53.514
bonds (distance) P-C4' energy: -47.454
flat angles C4'-P-C4' energy: -45.894
flat angles P-C4'-P energy: -34.944
tors. eta vs tors. theta energy: -63.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -784.447015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.447015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.447015 (E_RNA)
where:
Base-Base interactions energy: -545.536
where: short stacking energy: -243.628
Base-Backbone interact. energy: 1.779
local terms energy: -240.689710
where:
bonds (distance) C4'-P energy: -45.462
bonds (distance) P-C4' energy: -39.286
flat angles C4'-P-C4' energy: -49.931
flat angles P-C4'-P energy: -33.498
tors. eta vs tors. theta energy: -72.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -821.609618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.609618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.609618 (E_RNA)
where:
Base-Base interactions energy: -574.414
where: short stacking energy: -248.622
Base-Backbone interact. energy: -0.944
local terms energy: -246.250640
where:
bonds (distance) C4'-P energy: -47.202
bonds (distance) P-C4' energy: -35.862
flat angles C4'-P-C4' energy: -52.286
flat angles P-C4'-P energy: -39.808
tors. eta vs tors. theta energy: -71.093
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: 398
Temperature: 1.200000
Total energy: -760.661844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.661844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.661844 (E_RNA)
where:
Base-Base interactions energy: -522.559
where: short stacking energy: -228.020
Base-Backbone interact. energy: 0.038
local terms energy: -238.140680
where:
bonds (distance) C4'-P energy: -44.214
bonds (distance) P-C4' energy: -48.357
flat angles C4'-P-C4' energy: -55.282
flat angles P-C4'-P energy: -28.256
tors. eta vs tors. theta energy: -62.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -547.888224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.888224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.888224 (E_RNA)
where:
Base-Base interactions energy: -349.416
where: short stacking energy: -160.732
Base-Backbone interact. energy: 0.046
local terms energy: -198.518014
where:
bonds (distance) C4'-P energy: -41.533
bonds (distance) P-C4' energy: -45.650
flat angles C4'-P-C4' energy: -46.817
flat angles P-C4'-P energy: -28.675
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: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -487.797569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.797569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.797569 (E_RNA)
where:
Base-Base interactions energy: -314.774
where: short stacking energy: -138.946
Base-Backbone interact. energy: -1.515
local terms energy: -171.508453
where:
bonds (distance) C4'-P energy: -39.979
bonds (distance) P-C4' energy: -50.118
flat angles C4'-P-C4' energy: -31.119
flat angles P-C4'-P energy: -21.687
tors. eta vs tors. theta energy: -28.606
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: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -257.904093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.904093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.904093 (E_RNA)
where:
Base-Base interactions energy: -116.988
where: short stacking energy: -82.516
Base-Backbone interact. energy: -1.040
local terms energy: -139.876310
where:
bonds (distance) C4'-P energy: -42.817
bonds (distance) P-C4' energy: -49.135
flat angles C4'-P-C4' energy: -43.905
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: 3.388
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: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -948.729768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.729768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.729768 (E_RNA)
where:
Base-Base interactions energy: -653.236
where: short stacking energy: -283.021
Base-Backbone interact. energy: -1.014
local terms energy: -294.480446
where:
bonds (distance) C4'-P energy: -57.204
bonds (distance) P-C4' energy: -53.908
flat angles C4'-P-C4' energy: -57.917
flat angles P-C4'-P energy: -36.438
tors. eta vs tors. theta energy: -89.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -934.901695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.901695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.901695 (E_RNA)
where:
Base-Base interactions energy: -641.282
where: short stacking energy: -283.270
Base-Backbone interact. energy: -1.277
local terms energy: -292.342820
where:
bonds (distance) C4'-P energy: -54.147
bonds (distance) P-C4' energy: -51.989
flat angles C4'-P-C4' energy: -60.133
flat angles P-C4'-P energy: -38.269
tors. eta vs tors. theta energy: -87.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -883.993010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.993010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.993010 (E_RNA)
where:
Base-Base interactions energy: -616.459
where: short stacking energy: -272.894
Base-Backbone interact. energy: -2.281
local terms energy: -265.252404
where:
bonds (distance) C4'-P energy: -43.013
bonds (distance) P-C4' energy: -56.441
flat angles C4'-P-C4' energy: -54.382
flat angles P-C4'-P energy: -35.883
tors. eta vs tors. theta energy: -75.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -811.841343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.841343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.841343 (E_RNA)
where:
Base-Base interactions energy: -567.133
where: short stacking energy: -243.217
Base-Backbone interact. energy: -2.056
local terms energy: -242.652163
where:
bonds (distance) C4'-P energy: -51.258
bonds (distance) P-C4' energy: -41.142
flat angles C4'-P-C4' energy: -46.513
flat angles P-C4'-P energy: -38.691
tors. eta vs tors. theta energy: -65.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -827.524587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.524587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.524587 (E_RNA)
where:
Base-Base interactions energy: -572.996
where: short stacking energy: -247.559
Base-Backbone interact. energy: -0.071
local terms energy: -254.458097
where:
bonds (distance) C4'-P energy: -41.068
bonds (distance) P-C4' energy: -51.673
flat angles C4'-P-C4' energy: -54.014
flat angles P-C4'-P energy: -37.458
tors. eta vs tors. theta energy: -70.246
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: 6, replica: 2
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -805.756889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.756889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.756889 (E_RNA)
where:
Base-Base interactions energy: -549.900
where: short stacking energy: -228.604
Base-Backbone interact. energy: -0.131
local terms energy: -255.726163
where:
bonds (distance) C4'-P energy: -43.611
bonds (distance) P-C4' energy: -59.333
flat angles C4'-P-C4' energy: -51.020
flat angles P-C4'-P energy: -35.493
tors. eta vs tors. theta energy: -66.269
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: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -736.093813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.093813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.093813 (E_RNA)
where:
Base-Base interactions energy: -514.844
where: short stacking energy: -195.507
Base-Backbone interact. energy: -0.954
local terms energy: -220.295752
where:
bonds (distance) C4'-P energy: -29.998
bonds (distance) P-C4' energy: -57.863
flat angles C4'-P-C4' energy: -58.173
flat angles P-C4'-P energy: -29.050
tors. eta vs tors. theta energy: -45.212
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: 7
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -510.362847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.362847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.362847 (E_RNA)
where:
Base-Base interactions energy: -320.196
where: short stacking energy: -142.824
Base-Backbone interact. energy: 1.871
local terms energy: -192.038247
where:
bonds (distance) C4'-P energy: -48.391
bonds (distance) P-C4' energy: -35.451
flat angles C4'-P-C4' energy: -44.180
flat angles P-C4'-P energy: -32.865
tors. eta vs tors. theta energy: -31.151
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: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -533.066248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.066248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.066248 (E_RNA)
where:
Base-Base interactions energy: -336.733
where: short stacking energy: -153.978
Base-Backbone interact. energy: 0.228
local terms energy: -196.561062
where:
bonds (distance) C4'-P energy: -53.778
bonds (distance) P-C4' energy: -40.565
flat angles C4'-P-C4' energy: -43.987
flat angles P-C4'-P energy: -26.601
tors. eta vs tors. theta energy: -31.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -286.516749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.516749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.516749 (E_RNA)
where:
Base-Base interactions energy: -130.474
where: short stacking energy: -82.604
Base-Backbone interact. energy: 5.175
local terms energy: -161.217261
where:
bonds (distance) C4'-P energy: -43.669
bonds (distance) P-C4' energy: -45.580
flat angles C4'-P-C4' energy: -37.974
flat angles P-C4'-P energy: -26.794
tors. eta vs tors. theta energy: -7.200
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: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -961.525907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.525907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.525907 (E_RNA)
where:
Base-Base interactions energy: -661.280
where: short stacking energy: -292.232
Base-Backbone interact. energy: -0.486
local terms energy: -299.759772
where:
bonds (distance) C4'-P energy: -49.652
bonds (distance) P-C4' energy: -54.179
flat angles C4'-P-C4' energy: -62.161
flat angles P-C4'-P energy: -45.302
tors. eta vs tors. theta energy: -88.465
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: 2, replica: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -936.793005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.793005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.793005 (E_RNA)
where:
Base-Base interactions energy: -639.720
where: short stacking energy: -286.402
Base-Backbone interact. energy: -1.375
local terms energy: -295.698428
where:
bonds (distance) C4'-P energy: -50.277
bonds (distance) P-C4' energy: -52.837
flat angles C4'-P-C4' energy: -62.366
flat angles P-C4'-P energy: -45.940
tors. eta vs tors. theta energy: -84.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -854.176184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.176184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.176184 (E_RNA)
where:
Base-Base interactions energy: -588.147
where: short stacking energy: -267.286
Base-Backbone interact. energy: -1.341
local terms energy: -264.687452
where:
bonds (distance) C4'-P energy: -44.785
bonds (distance) P-C4' energy: -42.643
flat angles C4'-P-C4' energy: -60.489
flat angles P-C4'-P energy: -36.662
tors. eta vs tors. theta energy: -80.110
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: 4, replica: 9
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -812.541094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.541094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.541094 (E_RNA)
where:
Base-Base interactions energy: -567.301
where: short stacking energy: -235.107
Base-Backbone interact. energy: 1.543
local terms energy: -246.783708
where:
bonds (distance) C4'-P energy: -41.944
bonds (distance) P-C4' energy: -53.891
flat angles C4'-P-C4' energy: -50.692
flat angles P-C4'-P energy: -38.998
tors. eta vs tors. theta energy: -61.259
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: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -821.479909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.479909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.479909 (E_RNA)
where:
Base-Base interactions energy: -562.330
where: short stacking energy: -236.017
Base-Backbone interact. energy: -0.432
local terms energy: -258.717765
where:
bonds (distance) C4'-P energy: -49.604
bonds (distance) P-C4' energy: -55.957
flat angles C4'-P-C4' energy: -55.795
flat angles P-C4'-P energy: -35.464
tors. eta vs tors. theta energy: -61.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -799.973654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.973654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.973654 (E_RNA)
where:
Base-Base interactions energy: -544.843
where: short stacking energy: -237.971
Base-Backbone interact. energy: -0.188
local terms energy: -254.942972
where:
bonds (distance) C4'-P energy: -34.525
bonds (distance) P-C4' energy: -50.657
flat angles C4'-P-C4' energy: -55.626
flat angles P-C4'-P energy: -43.934
tors. eta vs tors. theta energy: -70.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -737.870341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.870341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.870341 (E_RNA)
where:
Base-Base interactions energy: -497.252
where: short stacking energy: -209.670
Base-Backbone interact. energy: -0.213
local terms energy: -240.405823
where:
bonds (distance) C4'-P energy: -46.622
bonds (distance) P-C4' energy: -46.936
flat angles C4'-P-C4' energy: -51.777
flat angles P-C4'-P energy: -32.357
tors. eta vs tors. theta energy: -62.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -486.944427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.944427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.944427 (E_RNA)
where:
Base-Base interactions energy: -307.476
where: short stacking energy: -167.243
Base-Backbone interact. energy: -0.318
local terms energy: -179.150185
where:
bonds (distance) C4'-P energy: -30.494
bonds (distance) P-C4' energy: -42.553
flat angles C4'-P-C4' energy: -47.339
flat angles P-C4'-P energy: -27.759
tors. eta vs tors. theta energy: -31.006
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: 9, replica: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -530.785231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.785231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.785231 (E_RNA)
where:
Base-Base interactions energy: -331.618
where: short stacking energy: -158.795
Base-Backbone interact. energy: -0.362
local terms energy: -198.805637
where:
bonds (distance) C4'-P energy: -46.191
bonds (distance) P-C4' energy: -46.151
flat angles C4'-P-C4' energy: -38.944
flat angles P-C4'-P energy: -34.318
tors. eta vs tors. theta energy: -33.203
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: 400
Temperature: 1.350000
Total energy: -297.288111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.288111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.288111 (E_RNA)
where:
Base-Base interactions energy: -152.602
where: short stacking energy: -79.020
Base-Backbone interact. energy: -0.788
local terms energy: -143.897851
where:
bonds (distance) C4'-P energy: -40.574
bonds (distance) P-C4' energy: -44.611
flat angles C4'-P-C4' energy: -40.109
flat angles P-C4'-P energy: -19.921
tors. eta vs tors. theta energy: 1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -966.751824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.751824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.751824 (E_RNA)
where:
Base-Base interactions energy: -668.445
where: short stacking energy: -294.588
Base-Backbone interact. energy: -0.848
local terms energy: -297.458841
where:
bonds (distance) C4'-P energy: -52.878
bonds (distance) P-C4' energy: -47.708
flat angles C4'-P-C4' energy: -62.336
flat angles P-C4'-P energy: -44.163
tors. eta vs tors. theta energy: -90.374
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: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -941.551497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.551497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.551497 (E_RNA)
where:
Base-Base interactions energy: -650.730
where: short stacking energy: -275.407
Base-Backbone interact. energy: -0.341
local terms energy: -290.480814
where:
bonds (distance) C4'-P energy: -51.153
bonds (distance) P-C4' energy: -50.066
flat angles C4'-P-C4' energy: -62.986
flat angles P-C4'-P energy: -42.159
tors. eta vs tors. theta energy: -84.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -867.794601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.794601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.794601 (E_RNA)
where:
Base-Base interactions energy: -589.420
where: short stacking energy: -266.121
Base-Backbone interact. energy: -0.132
local terms energy: -278.242373
where:
bonds (distance) C4'-P energy: -47.964
bonds (distance) P-C4' energy: -43.585
flat angles C4'-P-C4' energy: -62.785
flat angles P-C4'-P energy: -46.583
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: 4, replica: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -877.847799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.847799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.847799 (E_RNA)
where:
Base-Base interactions energy: -602.406
where: short stacking energy: -261.518
Base-Backbone interact. energy: -1.775
local terms energy: -273.667182
where:
bonds (distance) C4'-P energy: -51.314
bonds (distance) P-C4' energy: -48.335
flat angles C4'-P-C4' energy: -56.183
flat angles P-C4'-P energy: -40.725
tors. eta vs tors. theta energy: -77.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -811.436982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.436982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.436982 (E_RNA)
where:
Base-Base interactions energy: -560.487
where: short stacking energy: -245.218
Base-Backbone interact. energy: -0.786
local terms energy: -250.163614
where:
bonds (distance) C4'-P energy: -44.917
bonds (distance) P-C4' energy: -46.411
flat angles C4'-P-C4' energy: -54.642
flat angles P-C4'-P energy: -37.610
tors. eta vs tors. theta energy: -66.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -769.905538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.905538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.905538 (E_RNA)
where:
Base-Base interactions energy: -529.044
where: short stacking energy: -231.865
Base-Backbone interact. energy: -0.080
local terms energy: -240.781944
where:
bonds (distance) C4'-P energy: -32.958
bonds (distance) P-C4' energy: -53.420
flat angles C4'-P-C4' energy: -56.891
flat angles P-C4'-P energy: -33.366
tors. eta vs tors. theta energy: -64.147
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: 401
Temperature: 1.200000
Total energy: -775.554652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.554652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.554652 (E_RNA)
where:
Base-Base interactions energy: -534.225
where: short stacking energy: -237.348
Base-Backbone interact. energy: -0.382
local terms energy: -240.947567
where:
bonds (distance) C4'-P energy: -36.547
bonds (distance) P-C4' energy: -50.486
flat angles C4'-P-C4' energy: -53.827
flat angles P-C4'-P energy: -31.125
tors. eta vs tors. theta energy: -68.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -544.923947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.923947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.923947 (E_RNA)
where:
Base-Base interactions energy: -331.027
where: short stacking energy: -146.945
Base-Backbone interact. energy: -0.993
local terms energy: -212.904123
where:
bonds (distance) C4'-P energy: -43.636
bonds (distance) P-C4' energy: -58.365
flat angles C4'-P-C4' energy: -47.830
flat angles P-C4'-P energy: -35.180
tors. eta vs tors. theta energy: -27.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -437.222841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.222841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.222841 (E_RNA)
where:
Base-Base interactions energy: -262.561
where: short stacking energy: -128.787
Base-Backbone interact. energy: 2.032
local terms energy: -176.694026
where:
bonds (distance) C4'-P energy: -37.148
bonds (distance) P-C4' energy: -36.092
flat angles C4'-P-C4' energy: -36.416
flat angles P-C4'-P energy: -30.574
tors. eta vs tors. theta energy: -36.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -295.367062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.367062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.367062 (E_RNA)
where:
Base-Base interactions energy: -152.711
where: short stacking energy: -100.611
Base-Backbone interact. energy: 2.832
local terms energy: -145.487402
where:
bonds (distance) C4'-P energy: -46.755
bonds (distance) P-C4' energy: -56.129
flat angles C4'-P-C4' energy: -34.709
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: 6.060
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: 402
Temperature: 0.900000
Total energy: -947.897122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.897122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.897122 (E_RNA)
where:
Base-Base interactions energy: -654.623
where: short stacking energy: -279.850
Base-Backbone interact. energy: -2.630
local terms energy: -290.643640
where:
bonds (distance) C4'-P energy: -50.342
bonds (distance) P-C4' energy: -59.472
flat angles C4'-P-C4' energy: -61.790
flat angles P-C4'-P energy: -34.948
tors. eta vs tors. theta energy: -84.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -942.768891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.768891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.768891 (E_RNA)
where:
Base-Base interactions energy: -643.614
where: short stacking energy: -286.870
Base-Backbone interact. energy: -0.807
local terms energy: -298.347680
where:
bonds (distance) C4'-P energy: -52.137
bonds (distance) P-C4' energy: -45.661
flat angles C4'-P-C4' energy: -65.938
flat angles P-C4'-P energy: -41.352
tors. eta vs tors. theta energy: -93.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -867.601448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.601448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.601448 (E_RNA)
where:
Base-Base interactions energy: -599.086
where: short stacking energy: -263.909
Base-Backbone interact. energy: -0.178
local terms energy: -268.338199
where:
bonds (distance) C4'-P energy: -45.561
bonds (distance) P-C4' energy: -55.595
flat angles C4'-P-C4' energy: -58.561
flat angles P-C4'-P energy: -32.777
tors. eta vs tors. theta energy: -75.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -843.855330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.855330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.855330 (E_RNA)
where:
Base-Base interactions energy: -558.362
where: short stacking energy: -248.344
Base-Backbone interact. energy: -1.439
local terms energy: -284.054553
where:
bonds (distance) C4'-P energy: -52.983
bonds (distance) P-C4' energy: -55.275
flat angles C4'-P-C4' energy: -59.484
flat angles P-C4'-P energy: -37.895
tors. eta vs tors. theta energy: -78.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -782.033973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.033973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.033973 (E_RNA)
where:
Base-Base interactions energy: -535.483
where: short stacking energy: -224.247
Base-Backbone interact. energy: 0.541
local terms energy: -247.092697
where:
bonds (distance) C4'-P energy: -54.349
bonds (distance) P-C4' energy: -48.416
flat angles C4'-P-C4' energy: -53.139
flat angles P-C4'-P energy: -26.615
tors. eta vs tors. theta energy: -64.572
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: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -754.833016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.833016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.833016 (E_RNA)
where:
Base-Base interactions energy: -511.145
where: short stacking energy: -213.225
Base-Backbone interact. energy: -0.976
local terms energy: -242.711309
where:
bonds (distance) C4'-P energy: -52.273
bonds (distance) P-C4' energy: -50.886
flat angles C4'-P-C4' energy: -53.216
flat angles P-C4'-P energy: -36.396
tors. eta vs tors. theta energy: -49.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -791.896538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.896538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.896538 (E_RNA)
where:
Base-Base interactions energy: -552.688
where: short stacking energy: -235.684
Base-Backbone interact. energy: -1.403
local terms energy: -237.806409
where:
bonds (distance) C4'-P energy: -39.805
bonds (distance) P-C4' energy: -40.540
flat angles C4'-P-C4' energy: -59.006
flat angles P-C4'-P energy: -30.671
tors. eta vs tors. theta energy: -67.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -577.969298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.969298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.969298 (E_RNA)
where:
Base-Base interactions energy: -370.824
where: short stacking energy: -169.411
Base-Backbone interact. energy: 0.036
local terms energy: -207.181523
where:
bonds (distance) C4'-P energy: -42.138
bonds (distance) P-C4' energy: -51.098
flat angles C4'-P-C4' energy: -46.545
flat angles P-C4'-P energy: -25.372
tors. eta vs tors. theta energy: -42.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -462.521060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.521060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.521060 (E_RNA)
where:
Base-Base interactions energy: -279.057
where: short stacking energy: -130.805
Base-Backbone interact. energy: -2.335
local terms energy: -181.129894
where:
bonds (distance) C4'-P energy: -32.582
bonds (distance) P-C4' energy: -44.897
flat angles C4'-P-C4' energy: -57.218
flat angles P-C4'-P energy: -20.305
tors. eta vs tors. theta energy: -26.128
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: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -282.856313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.856313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.856313 (E_RNA)
where:
Base-Base interactions energy: -127.352
where: short stacking energy: -78.850
Base-Backbone interact. energy: -0.953
local terms energy: -154.552029
where:
bonds (distance) C4'-P energy: -49.518
bonds (distance) P-C4' energy: -44.014
flat angles C4'-P-C4' energy: -31.297
flat angles P-C4'-P energy: -34.609
tors. eta vs tors. theta energy: 4.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -954.325074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.325074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.325074 (E_RNA)
where:
Base-Base interactions energy: -657.228
where: short stacking energy: -285.877
Base-Backbone interact. energy: -0.293
local terms energy: -296.803890
where:
bonds (distance) C4'-P energy: -51.508
bonds (distance) P-C4' energy: -57.551
flat angles C4'-P-C4' energy: -60.575
flat angles P-C4'-P energy: -43.386
tors. eta vs tors. theta energy: -83.784
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: 403
Temperature: 0.950000
Total energy: -933.665204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.665204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.665204 (E_RNA)
where:
Base-Base interactions energy: -658.142
where: short stacking energy: -287.335
Base-Backbone interact. energy: 2.050
local terms energy: -277.573685
where:
bonds (distance) C4'-P energy: -48.341
bonds (distance) P-C4' energy: -48.919
flat angles C4'-P-C4' energy: -60.135
flat angles P-C4'-P energy: -35.761
tors. eta vs tors. theta energy: -84.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -884.627346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.627346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.627346 (E_RNA)
where:
Base-Base interactions energy: -615.076
where: short stacking energy: -269.563
Base-Backbone interact. energy: -1.477
local terms energy: -268.073847
where:
bonds (distance) C4'-P energy: -46.301
bonds (distance) P-C4' energy: -47.539
flat angles C4'-P-C4' energy: -56.076
flat angles P-C4'-P energy: -43.152
tors. eta vs tors. theta energy: -75.006
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: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -855.720795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.720795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.720795 (E_RNA)
where:
Base-Base interactions energy: -577.174
where: short stacking energy: -259.978
Base-Backbone interact. energy: -0.453
local terms energy: -278.094346
where:
bonds (distance) C4'-P energy: -51.241
bonds (distance) P-C4' energy: -38.983
flat angles C4'-P-C4' energy: -59.126
flat angles P-C4'-P energy: -47.845
tors. eta vs tors. theta energy: -80.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -813.237572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.237572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.237572 (E_RNA)
where:
Base-Base interactions energy: -556.281
where: short stacking energy: -227.381
Base-Backbone interact. energy: -2.042
local terms energy: -254.914959
where:
bonds (distance) C4'-P energy: -49.658
bonds (distance) P-C4' energy: -47.566
flat angles C4'-P-C4' energy: -56.402
flat angles P-C4'-P energy: -34.236
tors. eta vs tors. theta energy: -67.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -806.022881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.022881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.022881 (E_RNA)
where:
Base-Base interactions energy: -572.836
where: short stacking energy: -245.837
Base-Backbone interact. energy: 0.530
local terms energy: -233.716369
where:
bonds (distance) C4'-P energy: -39.271
bonds (distance) P-C4' energy: -48.005
flat angles C4'-P-C4' energy: -53.585
flat angles P-C4'-P energy: -28.500
tors. eta vs tors. theta energy: -64.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -767.878405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.878405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.878405 (E_RNA)
where:
Base-Base interactions energy: -530.675
where: short stacking energy: -209.386
Base-Backbone interact. energy: -1.896
local terms energy: -235.306902
where:
bonds (distance) C4'-P energy: -49.254
bonds (distance) P-C4' energy: -54.453
flat angles C4'-P-C4' energy: -51.093
flat angles P-C4'-P energy: -28.342
tors. eta vs tors. theta energy: -52.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -552.725678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.725678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.725678 (E_RNA)
where:
Base-Base interactions energy: -353.887
where: short stacking energy: -169.489
Base-Backbone interact. energy: -0.971
local terms energy: -197.868083
where:
bonds (distance) C4'-P energy: -38.401
bonds (distance) P-C4' energy: -45.662
flat angles C4'-P-C4' energy: -46.279
flat angles P-C4'-P energy: -32.621
tors. eta vs tors. theta energy: -34.905
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: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -451.377039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.377039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.377039 (E_RNA)
where:
Base-Base interactions energy: -264.194
where: short stacking energy: -117.815
Base-Backbone interact. energy: 0.080
local terms energy: -187.263050
where:
bonds (distance) C4'-P energy: -45.741
bonds (distance) P-C4' energy: -51.324
flat angles C4'-P-C4' energy: -48.278
flat angles P-C4'-P energy: -33.877
tors. eta vs tors. theta energy: -8.042
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: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -289.181633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.181633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.181633 (E_RNA)
where:
Base-Base interactions energy: -135.729
where: short stacking energy: -90.804
Base-Backbone interact. energy: 0.047
local terms energy: -153.499551
where:
bonds (distance) C4'-P energy: -41.398
bonds (distance) P-C4' energy: -49.641
flat angles C4'-P-C4' energy: -39.046
flat angles P-C4'-P energy: -20.225
tors. eta vs tors. theta energy: -3.190
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: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -954.194595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.194595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.194595 (E_RNA)
where:
Base-Base interactions energy: -660.791
where: short stacking energy: -297.296
Base-Backbone interact. energy: 0.446
local terms energy: -293.849099
where:
bonds (distance) C4'-P energy: -53.652
bonds (distance) P-C4' energy: -44.279
flat angles C4'-P-C4' energy: -59.665
flat angles P-C4'-P energy: -42.361
tors. eta vs tors. theta energy: -93.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -921.851557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.851557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.851557 (E_RNA)
where:
Base-Base interactions energy: -635.002
where: short stacking energy: -288.369
Base-Backbone interact. energy: -1.349
local terms energy: -285.499761
where:
bonds (distance) C4'-P energy: -43.001
bonds (distance) P-C4' energy: -55.364
flat angles C4'-P-C4' energy: -58.958
flat angles P-C4'-P energy: -46.262
tors. eta vs tors. theta energy: -81.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -883.595045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.595045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.595045 (E_RNA)
where:
Base-Base interactions energy: -609.398
where: short stacking energy: -276.003
Base-Backbone interact. energy: -0.161
local terms energy: -274.035744
where:
bonds (distance) C4'-P energy: -45.446
bonds (distance) P-C4' energy: -49.517
flat angles C4'-P-C4' energy: -61.615
flat angles P-C4'-P energy: -45.151
tors. eta vs tors. theta energy: -72.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -856.016983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.016983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.016983 (E_RNA)
where:
Base-Base interactions energy: -586.334
where: short stacking energy: -258.604
Base-Backbone interact. energy: -0.464
local terms energy: -269.218412
where:
bonds (distance) C4'-P energy: -47.551
bonds (distance) P-C4' energy: -50.717
flat angles C4'-P-C4' energy: -51.323
flat angles P-C4'-P energy: -40.062
tors. eta vs tors. theta energy: -79.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -816.758860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.758860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.758860 (E_RNA)
where:
Base-Base interactions energy: -560.791
where: short stacking energy: -237.265
Base-Backbone interact. energy: -0.621
local terms energy: -255.346683
where:
bonds (distance) C4'-P energy: -43.246
bonds (distance) P-C4' energy: -44.113
flat angles C4'-P-C4' energy: -55.641
flat angles P-C4'-P energy: -38.968
tors. eta vs tors. theta energy: -73.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -754.193166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.193166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.193166 (E_RNA)
where:
Base-Base interactions energy: -506.205
where: short stacking energy: -210.361
Base-Backbone interact. energy: 0.538
local terms energy: -248.526291
where:
bonds (distance) C4'-P energy: -49.720
bonds (distance) P-C4' energy: -47.726
flat angles C4'-P-C4' energy: -47.932
flat angles P-C4'-P energy: -41.299
tors. eta vs tors. theta energy: -61.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -763.864961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.864961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.864961 (E_RNA)
where:
Base-Base interactions energy: -516.566
where: short stacking energy: -207.665
Base-Backbone interact. energy: -1.475
local terms energy: -245.824607
where:
bonds (distance) C4'-P energy: -45.810
bonds (distance) P-C4' energy: -47.274
flat angles C4'-P-C4' energy: -53.818
flat angles P-C4'-P energy: -37.108
tors. eta vs tors. theta energy: -61.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -561.915200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.915200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.915200 (E_RNA)
where:
Base-Base interactions energy: -357.644
where: short stacking energy: -174.751
Base-Backbone interact. energy: 0.013
local terms energy: -204.284383
where:
bonds (distance) C4'-P energy: -49.982
bonds (distance) P-C4' energy: -44.540
flat angles C4'-P-C4' energy: -39.065
flat angles P-C4'-P energy: -30.047
tors. eta vs tors. theta energy: -40.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -368.710798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.710798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.710798 (E_RNA)
where:
Base-Base interactions energy: -203.140
where: short stacking energy: -103.390
Base-Backbone interact. energy: -0.889
local terms energy: -164.682129
where:
bonds (distance) C4'-P energy: -39.426
bonds (distance) P-C4' energy: -45.446
flat angles C4'-P-C4' energy: -51.398
flat angles P-C4'-P energy: -20.657
tors. eta vs tors. theta energy: -7.755
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: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -300.426886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.426886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.426886 (E_RNA)
where:
Base-Base interactions energy: -127.164
where: short stacking energy: -75.641
Base-Backbone interact. energy: 1.230
local terms energy: -174.493379
where:
bonds (distance) C4'-P energy: -48.970
bonds (distance) P-C4' energy: -45.701
flat angles C4'-P-C4' energy: -44.259
flat angles P-C4'-P energy: -28.542
tors. eta vs tors. theta energy: -7.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -950.548509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.548509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.548509 (E_RNA)
where:
Base-Base interactions energy: -670.474
where: short stacking energy: -291.301
Base-Backbone interact. energy: -0.759
local terms energy: -279.315313
where:
bonds (distance) C4'-P energy: -57.013
bonds (distance) P-C4' energy: -45.178
flat angles C4'-P-C4' energy: -56.171
flat angles P-C4'-P energy: -38.984
tors. eta vs tors. theta energy: -81.969
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: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -923.997429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.997429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.997429 (E_RNA)
where:
Base-Base interactions energy: -623.681
where: short stacking energy: -282.596
Base-Backbone interact. energy: -0.578
local terms energy: -299.738861
where:
bonds (distance) C4'-P energy: -57.699
bonds (distance) P-C4' energy: -48.457
flat angles C4'-P-C4' energy: -60.648
flat angles P-C4'-P energy: -45.610
tors. eta vs tors. theta energy: -87.325
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: 405
Temperature: 1.000000
Total energy: -871.071990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.071990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.071990 (E_RNA)
where:
Base-Base interactions energy: -590.722
where: short stacking energy: -270.505
Base-Backbone interact. energy: -0.504
local terms energy: -279.846033
where:
bonds (distance) C4'-P energy: -52.286
bonds (distance) P-C4' energy: -55.220
flat angles C4'-P-C4' energy: -57.255
flat angles P-C4'-P energy: -32.198
tors. eta vs tors. theta energy: -82.888
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: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -832.630198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.630198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.630198 (E_RNA)
where:
Base-Base interactions energy: -581.988
where: short stacking energy: -250.267
Base-Backbone interact. energy: -0.929
local terms energy: -249.713708
where:
bonds (distance) C4'-P energy: -43.597
bonds (distance) P-C4' energy: -41.255
flat angles C4'-P-C4' energy: -58.015
flat angles P-C4'-P energy: -37.315
tors. eta vs tors. theta energy: -69.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -832.633653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.633653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.633653 (E_RNA)
where:
Base-Base interactions energy: -582.376
where: short stacking energy: -254.085
Base-Backbone interact. energy: -0.774
local terms energy: -249.483469
where:
bonds (distance) C4'-P energy: -43.139
bonds (distance) P-C4' energy: -44.410
flat angles C4'-P-C4' energy: -49.025
flat angles P-C4'-P energy: -39.193
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: 6, replica: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -764.562235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.562235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.562235 (E_RNA)
where:
Base-Base interactions energy: -541.751
where: short stacking energy: -209.630
Base-Backbone interact. energy: -0.757
local terms energy: -222.054450
where:
bonds (distance) C4'-P energy: -49.665
bonds (distance) P-C4' energy: -45.692
flat angles C4'-P-C4' energy: -42.751
flat angles P-C4'-P energy: -22.344
tors. eta vs tors. theta energy: -61.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -778.331272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.331272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.331272 (E_RNA)
where:
Base-Base interactions energy: -546.147
where: short stacking energy: -235.218
Base-Backbone interact. energy: 2.126
local terms energy: -234.311060
where:
bonds (distance) C4'-P energy: -41.247
bonds (distance) P-C4' energy: -46.109
flat angles C4'-P-C4' energy: -57.638
flat angles P-C4'-P energy: -25.553
tors. eta vs tors. theta energy: -63.766
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: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -542.100102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.100102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.100102 (E_RNA)
where:
Base-Base interactions energy: -350.825
where: short stacking energy: -153.401
Base-Backbone interact. energy: 0.556
local terms energy: -191.830711
where:
bonds (distance) C4'-P energy: -46.628
bonds (distance) P-C4' energy: -49.237
flat angles C4'-P-C4' energy: -30.344
flat angles P-C4'-P energy: -34.896
tors. eta vs tors. theta energy: -30.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -389.677407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.677407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.677407 (E_RNA)
where:
Base-Base interactions energy: -227.958
where: short stacking energy: -110.040
Base-Backbone interact. energy: 0.353
local terms energy: -162.071522
where:
bonds (distance) C4'-P energy: -36.650
bonds (distance) P-C4' energy: -36.550
flat angles C4'-P-C4' energy: -34.972
flat angles P-C4'-P energy: -32.090
tors. eta vs tors. theta energy: -21.811
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: 10, replica: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -302.207915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.207915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.207915 (E_RNA)
where:
Base-Base interactions energy: -152.039
where: short stacking energy: -81.292
Base-Backbone interact. energy: 2.685
local terms energy: -152.853867
where:
bonds (distance) C4'-P energy: -40.179
bonds (distance) P-C4' energy: -35.511
flat angles C4'-P-C4' energy: -43.290
flat angles P-C4'-P energy: -33.822
tors. eta vs tors. theta energy: -0.052
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: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -963.814023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.814023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.814023 (E_RNA)
where:
Base-Base interactions energy: -673.581
where: short stacking energy: -282.241
Base-Backbone interact. energy: 1.647
local terms energy: -291.880200
where:
bonds (distance) C4'-P energy: -53.631
bonds (distance) P-C4' energy: -48.845
flat angles C4'-P-C4' energy: -62.837
flat angles P-C4'-P energy: -41.242
tors. eta vs tors. theta energy: -85.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -952.766417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.766417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.766417 (E_RNA)
where:
Base-Base interactions energy: -655.455
where: short stacking energy: -290.609
Base-Backbone interact. energy: -0.567
local terms energy: -296.744162
where:
bonds (distance) C4'-P energy: -59.996
bonds (distance) P-C4' energy: -46.607
flat angles C4'-P-C4' energy: -61.130
flat angles P-C4'-P energy: -39.777
tors. eta vs tors. theta energy: -89.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -871.175791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.175791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.175791 (E_RNA)
where:
Base-Base interactions energy: -592.894
where: short stacking energy: -264.961
Base-Backbone interact. energy: -0.301
local terms energy: -277.981114
where:
bonds (distance) C4'-P energy: -45.885
bonds (distance) P-C4' energy: -52.969
flat angles C4'-P-C4' energy: -58.392
flat angles P-C4'-P energy: -40.689
tors. eta vs tors. theta energy: -80.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -842.989154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.989154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.989154 (E_RNA)
where:
Base-Base interactions energy: -579.246
where: short stacking energy: -243.280
Base-Backbone interact. energy: 0.196
local terms energy: -263.938510
where:
bonds (distance) C4'-P energy: -48.546
bonds (distance) P-C4' energy: -51.228
flat angles C4'-P-C4' energy: -55.696
flat angles P-C4'-P energy: -33.040
tors. eta vs tors. theta energy: -75.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -813.648254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.648254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.648254 (E_RNA)
where:
Base-Base interactions energy: -553.226
where: short stacking energy: -235.428
Base-Backbone interact. energy: 0.497
local terms energy: -260.919469
where:
bonds (distance) C4'-P energy: -53.106
bonds (distance) P-C4' energy: -50.054
flat angles C4'-P-C4' energy: -59.961
flat angles P-C4'-P energy: -34.763
tors. eta vs tors. theta energy: -63.035
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: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -765.686174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.686174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.686174 (E_RNA)
where:
Base-Base interactions energy: -531.270
where: short stacking energy: -222.180
Base-Backbone interact. energy: -0.790
local terms energy: -233.625556
where:
bonds (distance) C4'-P energy: -41.371
bonds (distance) P-C4' energy: -44.828
flat angles C4'-P-C4' energy: -57.129
flat angles P-C4'-P energy: -27.489
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: 7, replica: 6
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -763.947504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.947504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.947504 (E_RNA)
where:
Base-Base interactions energy: -523.191
where: short stacking energy: -219.143
Base-Backbone interact. energy: -0.328
local terms energy: -240.427923
where:
bonds (distance) C4'-P energy: -47.181
bonds (distance) P-C4' energy: -48.665
flat angles C4'-P-C4' energy: -54.677
flat angles P-C4'-P energy: -29.262
tors. eta vs tors. theta energy: -60.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -538.728490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.728490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.728490 (E_RNA)
where:
Base-Base interactions energy: -328.260
where: short stacking energy: -153.899
Base-Backbone interact. energy: -2.345
local terms energy: -208.123698
where:
bonds (distance) C4'-P energy: -41.653
bonds (distance) P-C4' energy: -50.571
flat angles C4'-P-C4' energy: -53.366
flat angles P-C4'-P energy: -31.887
tors. eta vs tors. theta energy: -30.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -404.216808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.216808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.216808 (E_RNA)
where:
Base-Base interactions energy: -242.643
where: short stacking energy: -119.503
Base-Backbone interact. energy: -0.586
local terms energy: -160.988430
where:
bonds (distance) C4'-P energy: -41.881
bonds (distance) P-C4' energy: -47.448
flat angles C4'-P-C4' energy: -35.366
flat angles P-C4'-P energy: -23.851
tors. eta vs tors. theta energy: -12.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -306.319749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.319749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.319749 (E_RNA)
where:
Base-Base interactions energy: -136.821
where: short stacking energy: -89.196
Base-Backbone interact. energy: -1.538
local terms energy: -167.961031
where:
bonds (distance) C4'-P energy: -46.350
bonds (distance) P-C4' energy: -46.232
flat angles C4'-P-C4' energy: -42.596
flat angles P-C4'-P energy: -25.892
tors. eta vs tors. theta energy: -6.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -942.544173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.544173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.544173 (E_RNA)
where:
Base-Base interactions energy: -652.048
where: short stacking energy: -273.635
Base-Backbone interact. energy: -1.682
local terms energy: -288.813981
where:
bonds (distance) C4'-P energy: -50.782
bonds (distance) P-C4' energy: -57.742
flat angles C4'-P-C4' energy: -57.096
flat angles P-C4'-P energy: -40.801
tors. eta vs tors. theta energy: -82.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -907.573716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.573716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.573716 (E_RNA)
where:
Base-Base interactions energy: -627.027
where: short stacking energy: -267.712
Base-Backbone interact. energy: -0.779
local terms energy: -279.768005
where:
bonds (distance) C4'-P energy: -48.643
bonds (distance) P-C4' energy: -51.622
flat angles C4'-P-C4' energy: -57.165
flat angles P-C4'-P energy: -39.058
tors. eta vs tors. theta energy: -83.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -857.856010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.856010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.856010 (E_RNA)
where:
Base-Base interactions energy: -590.303
where: short stacking energy: -263.260
Base-Backbone interact. energy: -0.468
local terms energy: -267.084444
where:
bonds (distance) C4'-P energy: -50.727
bonds (distance) P-C4' energy: -44.942
flat angles C4'-P-C4' energy: -63.745
flat angles P-C4'-P energy: -33.358
tors. eta vs tors. theta energy: -74.312
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: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -877.557379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.557379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.557379 (E_RNA)
where:
Base-Base interactions energy: -602.824
where: short stacking energy: -266.229
Base-Backbone interact. energy: -0.331
local terms energy: -274.402338
where:
bonds (distance) C4'-P energy: -43.697
bonds (distance) P-C4' energy: -53.330
flat angles C4'-P-C4' energy: -58.766
flat angles P-C4'-P energy: -33.965
tors. eta vs tors. theta energy: -84.645
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: 9
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -802.428124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.428124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.428124 (E_RNA)
where:
Base-Base interactions energy: -546.795
where: short stacking energy: -234.131
Base-Backbone interact. energy: -0.919
local terms energy: -254.714055
where:
bonds (distance) C4'-P energy: -49.086
bonds (distance) P-C4' energy: -44.720
flat angles C4'-P-C4' energy: -56.644
flat angles P-C4'-P energy: -41.761
tors. eta vs tors. theta energy: -62.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -799.972302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.972302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.972302 (E_RNA)
where:
Base-Base interactions energy: -540.471
where: short stacking energy: -233.913
Base-Backbone interact. energy: -0.355
local terms energy: -259.146049
where:
bonds (distance) C4'-P energy: -52.652
bonds (distance) P-C4' energy: -52.196
flat angles C4'-P-C4' energy: -51.820
flat angles P-C4'-P energy: -39.863
tors. eta vs tors. theta energy: -62.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -733.913789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.913789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.913789 (E_RNA)
where:
Base-Base interactions energy: -510.573
where: short stacking energy: -220.233
Base-Backbone interact. energy: 0.157
local terms energy: -223.497858
where:
bonds (distance) C4'-P energy: -47.057
bonds (distance) P-C4' energy: -45.354
flat angles C4'-P-C4' energy: -50.215
flat angles P-C4'-P energy: -24.734
tors. eta vs tors. theta energy: -56.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -554.722366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.722366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.722366 (E_RNA)
where:
Base-Base interactions energy: -365.132
where: short stacking energy: -169.216
Base-Backbone interact. energy: -0.864
local terms energy: -188.726730
where:
bonds (distance) C4'-P energy: -39.929
bonds (distance) P-C4' energy: -42.606
flat angles C4'-P-C4' energy: -42.307
flat angles P-C4'-P energy: -26.301
tors. eta vs tors. theta energy: -37.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -451.500642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.500642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.500642 (E_RNA)
where:
Base-Base interactions energy: -284.541
where: short stacking energy: -121.366
Base-Backbone interact. energy: 1.554
local terms energy: -168.512936
where:
bonds (distance) C4'-P energy: -51.566
bonds (distance) P-C4' energy: -34.638
flat angles C4'-P-C4' energy: -41.898
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -21.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -294.762185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.762185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.762185 (E_RNA)
where:
Base-Base interactions energy: -145.467
where: short stacking energy: -83.522
Base-Backbone interact. energy: -0.636
local terms energy: -148.659607
where:
bonds (distance) C4'-P energy: -44.152
bonds (distance) P-C4' energy: -49.460
flat angles C4'-P-C4' energy: -26.913
flat angles P-C4'-P energy: -22.423
tors. eta vs tors. theta energy: -5.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -942.322998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.322998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.322998 (E_RNA)
where:
Base-Base interactions energy: -662.872
where: short stacking energy: -276.180
Base-Backbone interact. energy: -0.042
local terms energy: -279.409283
where:
bonds (distance) C4'-P energy: -51.991
bonds (distance) P-C4' energy: -59.397
flat angles C4'-P-C4' energy: -51.237
flat angles P-C4'-P energy: -36.628
tors. eta vs tors. theta energy: -80.157
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: 2, replica: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -941.658681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.658681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.658681 (E_RNA)
where:
Base-Base interactions energy: -665.221
where: short stacking energy: -279.247
Base-Backbone interact. energy: -0.197
local terms energy: -276.240135
where:
bonds (distance) C4'-P energy: -45.930
bonds (distance) P-C4' energy: -49.800
flat angles C4'-P-C4' energy: -57.508
flat angles P-C4'-P energy: -37.208
tors. eta vs tors. theta energy: -85.793
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: 3, replica: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -852.164179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.164179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.164179 (E_RNA)
where:
Base-Base interactions energy: -585.862
where: short stacking energy: -255.063
Base-Backbone interact. energy: 1.138
local terms energy: -267.439877
where:
bonds (distance) C4'-P energy: -46.992
bonds (distance) P-C4' energy: -55.120
flat angles C4'-P-C4' energy: -50.635
flat angles P-C4'-P energy: -41.483
tors. eta vs tors. theta energy: -73.209
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: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -867.671444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.671444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.671444 (E_RNA)
where:
Base-Base interactions energy: -592.938
where: short stacking energy: -250.696
Base-Backbone interact. energy: -0.727
local terms energy: -274.006536
where:
bonds (distance) C4'-P energy: -51.093
bonds (distance) P-C4' energy: -52.111
flat angles C4'-P-C4' energy: -55.059
flat angles P-C4'-P energy: -40.549
tors. eta vs tors. theta energy: -75.195
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: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -798.518615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.518615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.518615 (E_RNA)
where:
Base-Base interactions energy: -541.760
where: short stacking energy: -228.122
Base-Backbone interact. energy: -0.222
local terms energy: -256.536853
where:
bonds (distance) C4'-P energy: -47.426
bonds (distance) P-C4' energy: -52.383
flat angles C4'-P-C4' energy: -51.897
flat angles P-C4'-P energy: -40.993
tors. eta vs tors. theta energy: -63.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -782.790601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.790601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.790601 (E_RNA)
where:
Base-Base interactions energy: -545.030
where: short stacking energy: -225.831
Base-Backbone interact. energy: -1.172
local terms energy: -236.589165
where:
bonds (distance) C4'-P energy: -39.397
bonds (distance) P-C4' energy: -45.244
flat angles C4'-P-C4' energy: -51.048
flat angles P-C4'-P energy: -35.031
tors. eta vs tors. theta energy: -65.869
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: 408
Temperature: 1.200000
Total energy: -771.176298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.176298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.176298 (E_RNA)
where:
Base-Base interactions energy: -524.683
where: short stacking energy: -212.284
Base-Backbone interact. energy: -0.363
local terms energy: -246.130810
where:
bonds (distance) C4'-P energy: -36.847
bonds (distance) P-C4' energy: -50.005
flat angles C4'-P-C4' energy: -55.050
flat angles P-C4'-P energy: -41.784
tors. eta vs tors. theta energy: -62.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -570.656681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.656681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.656681 (E_RNA)
where:
Base-Base interactions energy: -372.394
where: short stacking energy: -177.369
Base-Backbone interact. energy: -1.249
local terms energy: -197.013585
where:
bonds (distance) C4'-P energy: -47.840
bonds (distance) P-C4' energy: -54.856
flat angles C4'-P-C4' energy: -45.593
flat angles P-C4'-P energy: -23.015
tors. eta vs tors. theta energy: -25.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -474.612314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.612314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.612314 (E_RNA)
where:
Base-Base interactions energy: -285.285
where: short stacking energy: -141.537
Base-Backbone interact. energy: -1.738
local terms energy: -187.589429
where:
bonds (distance) C4'-P energy: -46.849
bonds (distance) P-C4' energy: -44.646
flat angles C4'-P-C4' energy: -37.236
flat angles P-C4'-P energy: -35.027
tors. eta vs tors. theta energy: -23.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -287.939556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.939556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.939556 (E_RNA)
where:
Base-Base interactions energy: -135.307
where: short stacking energy: -82.616
Base-Backbone interact. energy: -0.895
local terms energy: -151.736819
where:
bonds (distance) C4'-P energy: -41.171
bonds (distance) P-C4' energy: -44.764
flat angles C4'-P-C4' energy: -38.805
flat angles P-C4'-P energy: -24.172
tors. eta vs tors. theta energy: -2.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -953.769837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.769837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.769837 (E_RNA)
where:
Base-Base interactions energy: -649.913
where: short stacking energy: -269.230
Base-Backbone interact. energy: -1.264
local terms energy: -302.592666
where:
bonds (distance) C4'-P energy: -45.896
bonds (distance) P-C4' energy: -58.277
flat angles C4'-P-C4' energy: -66.897
flat angles P-C4'-P energy: -48.557
tors. eta vs tors. theta energy: -82.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -932.465864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.465864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.465864 (E_RNA)
where:
Base-Base interactions energy: -642.166
where: short stacking energy: -276.099
Base-Backbone interact. energy: 0.029
local terms energy: -290.328770
where:
bonds (distance) C4'-P energy: -53.128
bonds (distance) P-C4' energy: -47.643
flat angles C4'-P-C4' energy: -59.747
flat angles P-C4'-P energy: -46.063
tors. eta vs tors. theta energy: -83.748
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: 409
Temperature: 1.000000
Total energy: -842.568748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.568748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.568748 (E_RNA)
where:
Base-Base interactions energy: -576.303
where: short stacking energy: -253.921
Base-Backbone interact. energy: -0.283
local terms energy: -265.983178
where:
bonds (distance) C4'-P energy: -43.188
bonds (distance) P-C4' energy: -53.818
flat angles C4'-P-C4' energy: -54.628
flat angles P-C4'-P energy: -39.895
tors. eta vs tors. theta energy: -74.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -887.159248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.159248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.159248 (E_RNA)
where:
Base-Base interactions energy: -603.580
where: short stacking energy: -264.214
Base-Backbone interact. energy: -0.586
local terms energy: -282.992686
where:
bonds (distance) C4'-P energy: -52.194
bonds (distance) P-C4' energy: -49.513
flat angles C4'-P-C4' energy: -56.329
flat angles P-C4'-P energy: -43.633
tors. eta vs tors. theta energy: -81.323
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: 409
Temperature: 1.100000
Total energy: -809.689016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.689016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.689016 (E_RNA)
where:
Base-Base interactions energy: -541.866
where: short stacking energy: -237.271
Base-Backbone interact. energy: -0.554
local terms energy: -267.268881
where:
bonds (distance) C4'-P energy: -46.688
bonds (distance) P-C4' energy: -55.503
flat angles C4'-P-C4' energy: -57.096
flat angles P-C4'-P energy: -42.175
tors. eta vs tors. theta energy: -65.807
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: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -778.294699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.294699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.294699 (E_RNA)
where:
Base-Base interactions energy: -536.724
where: short stacking energy: -217.459
Base-Backbone interact. energy: -0.552
local terms energy: -241.018585
where:
bonds (distance) C4'-P energy: -44.664
bonds (distance) P-C4' energy: -47.885
flat angles C4'-P-C4' energy: -52.600
flat angles P-C4'-P energy: -36.292
tors. eta vs tors. theta energy: -59.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -791.070378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.070378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.070378 (E_RNA)
where:
Base-Base interactions energy: -550.123
where: short stacking energy: -219.885
Base-Backbone interact. energy: 5.487
local terms energy: -246.434451
where:
bonds (distance) C4'-P energy: -50.175
bonds (distance) P-C4' energy: -43.892
flat angles C4'-P-C4' energy: -53.768
flat angles P-C4'-P energy: -29.469
tors. eta vs tors. theta energy: -69.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -559.980441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.980441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.980441 (E_RNA)
where:
Base-Base interactions energy: -343.890
where: short stacking energy: -156.252
Base-Backbone interact. energy: -1.384
local terms energy: -214.706440
where:
bonds (distance) C4'-P energy: -53.246
bonds (distance) P-C4' energy: -48.980
flat angles C4'-P-C4' energy: -47.610
flat angles P-C4'-P energy: -34.404
tors. eta vs tors. theta energy: -30.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -406.387551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.387551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.387551 (E_RNA)
where:
Base-Base interactions energy: -232.967
where: short stacking energy: -119.270
Base-Backbone interact. energy: -0.409
local terms energy: -173.011701
where:
bonds (distance) C4'-P energy: -41.723
bonds (distance) P-C4' energy: -46.974
flat angles C4'-P-C4' energy: -47.386
flat angles P-C4'-P energy: -19.324
tors. eta vs tors. theta energy: -17.605
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: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -285.882443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.882443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.882443 (E_RNA)
where:
Base-Base interactions energy: -160.587
where: short stacking energy: -100.613
Base-Backbone interact. energy: 3.102
local terms energy: -128.397054
where:
bonds (distance) C4'-P energy: -39.026
bonds (distance) P-C4' energy: -32.698
flat angles C4'-P-C4' energy: -35.293
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -949.487993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.487993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.487993 (E_RNA)
where:
Base-Base interactions energy: -653.718
where: short stacking energy: -274.775
Base-Backbone interact. energy: -1.050
local terms energy: -294.719637
where:
bonds (distance) C4'-P energy: -54.176
bonds (distance) P-C4' energy: -48.670
flat angles C4'-P-C4' energy: -55.074
flat angles P-C4'-P energy: -47.008
tors. eta vs tors. theta energy: -89.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -938.598127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.598127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.598127 (E_RNA)
where:
Base-Base interactions energy: -657.401
where: short stacking energy: -276.856
Base-Backbone interact. energy: -1.012
local terms energy: -280.185149
where:
bonds (distance) C4'-P energy: -52.215
bonds (distance) P-C4' energy: -36.083
flat angles C4'-P-C4' energy: -60.420
flat angles P-C4'-P energy: -46.750
tors. eta vs tors. theta energy: -84.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -870.476443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.476443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.476443 (E_RNA)
where:
Base-Base interactions energy: -612.324
where: short stacking energy: -253.169
Base-Backbone interact. energy: 1.371
local terms energy: -259.523524
where:
bonds (distance) C4'-P energy: -49.749
bonds (distance) P-C4' energy: -45.040
flat angles C4'-P-C4' energy: -59.325
flat angles P-C4'-P energy: -34.658
tors. eta vs tors. theta energy: -70.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -843.417678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.417678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.417678 (E_RNA)
where:
Base-Base interactions energy: -569.173
where: short stacking energy: -240.987
Base-Backbone interact. energy: 2.056
local terms energy: -276.301170
where:
bonds (distance) C4'-P energy: -49.737
bonds (distance) P-C4' energy: -54.190
flat angles C4'-P-C4' energy: -54.602
flat angles P-C4'-P energy: -42.083
tors. eta vs tors. theta energy: -75.689
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: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -813.915175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.915175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.915175 (E_RNA)
where:
Base-Base interactions energy: -545.679
where: short stacking energy: -249.921
Base-Backbone interact. energy: -0.530
local terms energy: -267.706882
where:
bonds (distance) C4'-P energy: -42.998
bonds (distance) P-C4' energy: -51.383
flat angles C4'-P-C4' energy: -58.605
flat angles P-C4'-P energy: -40.178
tors. eta vs tors. theta energy: -74.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -786.158460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.158460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.158460 (E_RNA)
where:
Base-Base interactions energy: -534.290
where: short stacking energy: -225.577
Base-Backbone interact. energy: -0.444
local terms energy: -251.424369
where:
bonds (distance) C4'-P energy: -49.652
bonds (distance) P-C4' energy: -49.286
flat angles C4'-P-C4' energy: -46.688
flat angles P-C4'-P energy: -40.299
tors. eta vs tors. theta energy: -65.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -751.734561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.734561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.734561 (E_RNA)
where:
Base-Base interactions energy: -522.147
where: short stacking energy: -225.041
Base-Backbone interact. energy: -0.993
local terms energy: -228.594919
where:
bonds (distance) C4'-P energy: -39.049
bonds (distance) P-C4' energy: -38.236
flat angles C4'-P-C4' energy: -49.921
flat angles P-C4'-P energy: -33.955
tors. eta vs tors. theta energy: -67.433
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: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -521.690587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.690587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.690587 (E_RNA)
where:
Base-Base interactions energy: -319.803
where: short stacking energy: -144.837
Base-Backbone interact. energy: 2.357
local terms energy: -204.244766
where:
bonds (distance) C4'-P energy: -46.668
bonds (distance) P-C4' energy: -46.951
flat angles C4'-P-C4' energy: -44.794
flat angles P-C4'-P energy: -36.405
tors. eta vs tors. theta energy: -29.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -439.226000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.226000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.226000 (E_RNA)
where:
Base-Base interactions energy: -278.525
where: short stacking energy: -129.630
Base-Backbone interact. energy: -0.150
local terms energy: -160.551773
where:
bonds (distance) C4'-P energy: -40.853
bonds (distance) P-C4' energy: -40.694
flat angles C4'-P-C4' energy: -43.618
flat angles P-C4'-P energy: -18.844
tors. eta vs tors. theta energy: -16.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -269.638229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.638229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.638229 (E_RNA)
where:
Base-Base interactions energy: -105.771
where: short stacking energy: -68.765
Base-Backbone interact. energy: 1.210
local terms energy: -165.076927
where:
bonds (distance) C4'-P energy: -43.237
bonds (distance) P-C4' energy: -50.903
flat angles C4'-P-C4' energy: -43.022
flat angles P-C4'-P energy: -23.103
tors. eta vs tors. theta energy: -4.812
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: 1, replica: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -964.258279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.258279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.258279 (E_RNA)
where:
Base-Base interactions energy: -661.564
where: short stacking energy: -283.544
Base-Backbone interact. energy: -1.039
local terms energy: -301.655469
where:
bonds (distance) C4'-P energy: -50.808
bonds (distance) P-C4' energy: -57.225
flat angles C4'-P-C4' energy: -56.000
flat angles P-C4'-P energy: -46.308
tors. eta vs tors. theta energy: -91.315
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: 2, replica: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -945.185266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.185266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.185266 (E_RNA)
where:
Base-Base interactions energy: -665.619
where: short stacking energy: -292.138
Base-Backbone interact. energy: -1.206
local terms energy: -278.360100
where:
bonds (distance) C4'-P energy: -56.240
bonds (distance) P-C4' energy: -44.484
flat angles C4'-P-C4' energy: -53.072
flat angles P-C4'-P energy: -41.762
tors. eta vs tors. theta energy: -82.801
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: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -862.171722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.171722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.171722 (E_RNA)
where:
Base-Base interactions energy: -585.115
where: short stacking energy: -260.390
Base-Backbone interact. energy: -0.938
local terms energy: -276.119066
where:
bonds (distance) C4'-P energy: -57.206
bonds (distance) P-C4' energy: -50.770
flat angles C4'-P-C4' energy: -58.260
flat angles P-C4'-P energy: -41.412
tors. eta vs tors. theta energy: -68.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -864.623393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.623393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.623393 (E_RNA)
where:
Base-Base interactions energy: -600.042
where: short stacking energy: -254.748
Base-Backbone interact. energy: -1.186
local terms energy: -263.395574
where:
bonds (distance) C4'-P energy: -48.612
bonds (distance) P-C4' energy: -44.175
flat angles C4'-P-C4' energy: -55.772
flat angles P-C4'-P energy: -41.851
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: 5, replica: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -794.224937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.224937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.224937 (E_RNA)
where:
Base-Base interactions energy: -534.926
where: short stacking energy: -240.538
Base-Backbone interact. energy: 0.270
local terms energy: -259.569326
where:
bonds (distance) C4'-P energy: -44.880
bonds (distance) P-C4' energy: -46.265
flat angles C4'-P-C4' energy: -59.616
flat angles P-C4'-P energy: -36.912
tors. eta vs tors. theta energy: -71.897
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: 9
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -767.574896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.574896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.574896 (E_RNA)
where:
Base-Base interactions energy: -519.228
where: short stacking energy: -225.220
Base-Backbone interact. energy: -0.531
local terms energy: -247.815654
where:
bonds (distance) C4'-P energy: -47.867
bonds (distance) P-C4' energy: -48.759
flat angles C4'-P-C4' energy: -54.054
flat angles P-C4'-P energy: -33.186
tors. eta vs tors. theta energy: -63.950
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: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -751.592460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.592460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.592460 (E_RNA)
where:
Base-Base interactions energy: -522.437
where: short stacking energy: -229.549
Base-Backbone interact. energy: 2.599
local terms energy: -231.754143
where:
bonds (distance) C4'-P energy: -47.262
bonds (distance) P-C4' energy: -45.432
flat angles C4'-P-C4' energy: -51.309
flat angles P-C4'-P energy: -25.979
tors. eta vs tors. theta energy: -61.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -534.088886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.088886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.088886 (E_RNA)
where:
Base-Base interactions energy: -354.292
where: short stacking energy: -178.580
Base-Backbone interact. energy: 2.489
local terms energy: -182.285706
where:
bonds (distance) C4'-P energy: -25.557
bonds (distance) P-C4' energy: -41.875
flat angles C4'-P-C4' energy: -46.905
flat angles P-C4'-P energy: -35.202
tors. eta vs tors. theta energy: -32.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -437.285371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.285371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.285371 (E_RNA)
where:
Base-Base interactions energy: -275.787
where: short stacking energy: -147.194
Base-Backbone interact. energy: 1.297
local terms energy: -162.795348
where:
bonds (distance) C4'-P energy: -42.832
bonds (distance) P-C4' energy: -49.417
flat angles C4'-P-C4' energy: -39.643
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -14.429
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: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -300.915401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.915401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.915401 (E_RNA)
where:
Base-Base interactions energy: -128.827
where: short stacking energy: -64.121
Base-Backbone interact. energy: 0.536
local terms energy: -172.623958
where:
bonds (distance) C4'-P energy: -42.358
bonds (distance) P-C4' energy: -49.134
flat angles C4'-P-C4' energy: -49.431
flat angles P-C4'-P energy: -34.527
tors. eta vs tors. theta energy: 2.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -954.312562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.312562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.312562 (E_RNA)
where:
Base-Base interactions energy: -652.977
where: short stacking energy: -297.588
Base-Backbone interact. energy: -1.530
local terms energy: -299.805193
where:
bonds (distance) C4'-P energy: -47.883
bonds (distance) P-C4' energy: -57.027
flat angles C4'-P-C4' energy: -63.683
flat angles P-C4'-P energy: -38.904
tors. eta vs tors. theta energy: -92.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -933.274827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.274827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.274827 (E_RNA)
where:
Base-Base interactions energy: -667.966
where: short stacking energy: -285.812
Base-Backbone interact. energy: -0.897
local terms energy: -264.411662
where:
bonds (distance) C4'-P energy: -42.596
bonds (distance) P-C4' energy: -54.252
flat angles C4'-P-C4' energy: -55.251
flat angles P-C4'-P energy: -32.442
tors. eta vs tors. theta energy: -79.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -864.381995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.381995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.381995 (E_RNA)
where:
Base-Base interactions energy: -590.234
where: short stacking energy: -263.049
Base-Backbone interact. energy: -0.900
local terms energy: -273.247641
where:
bonds (distance) C4'-P energy: -52.670
bonds (distance) P-C4' energy: -50.169
flat angles C4'-P-C4' energy: -50.853
flat angles P-C4'-P energy: -40.137
tors. eta vs tors. theta energy: -79.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -845.893827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.893827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.893827 (E_RNA)
where:
Base-Base interactions energy: -573.324
where: short stacking energy: -261.931
Base-Backbone interact. energy: -0.459
local terms energy: -272.110542
where:
bonds (distance) C4'-P energy: -45.387
bonds (distance) P-C4' energy: -48.141
flat angles C4'-P-C4' energy: -62.817
flat angles P-C4'-P energy: -39.408
tors. eta vs tors. theta energy: -76.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -799.343941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.343941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.343941 (E_RNA)
where:
Base-Base interactions energy: -546.754
where: short stacking energy: -242.362
Base-Backbone interact. energy: -1.339
local terms energy: -251.250524
where:
bonds (distance) C4'-P energy: -48.337
bonds (distance) P-C4' energy: -50.256
flat angles C4'-P-C4' energy: -50.913
flat angles P-C4'-P energy: -38.062
tors. eta vs tors. theta energy: -63.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -725.316353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.316353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.316353 (E_RNA)
where:
Base-Base interactions energy: -499.604
where: short stacking energy: -205.743
Base-Backbone interact. energy: -0.537
local terms energy: -225.175845
where:
bonds (distance) C4'-P energy: -41.049
bonds (distance) P-C4' energy: -43.403
flat angles C4'-P-C4' energy: -53.206
flat angles P-C4'-P energy: -31.456
tors. eta vs tors. theta energy: -56.062
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: 7, replica: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -775.440471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.440471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.440471 (E_RNA)
where:
Base-Base interactions energy: -519.189
where: short stacking energy: -202.749
Base-Backbone interact. energy: 3.304
local terms energy: -259.555633
where:
bonds (distance) C4'-P energy: -51.414
bonds (distance) P-C4' energy: -57.597
flat angles C4'-P-C4' energy: -49.686
flat angles P-C4'-P energy: -37.174
tors. eta vs tors. theta energy: -63.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -550.366310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.366310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.366310 (E_RNA)
where:
Base-Base interactions energy: -358.668
where: short stacking energy: -172.331
Base-Backbone interact. energy: -0.755
local terms energy: -190.943860
where:
bonds (distance) C4'-P energy: -44.750
bonds (distance) P-C4' energy: -45.109
flat angles C4'-P-C4' energy: -46.591
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -38.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -436.859769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.859769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.859769 (E_RNA)
where:
Base-Base interactions energy: -258.425
where: short stacking energy: -120.750
Base-Backbone interact. energy: -0.397
local terms energy: -178.038373
where:
bonds (distance) C4'-P energy: -44.077
bonds (distance) P-C4' energy: -48.144
flat angles C4'-P-C4' energy: -39.610
flat angles P-C4'-P energy: -29.941
tors. eta vs tors. theta energy: -16.266
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: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -288.269126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.269126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.269126 (E_RNA)
where:
Base-Base interactions energy: -139.887
where: short stacking energy: -87.095
Base-Backbone interact. energy: -0.517
local terms energy: -147.864728
where:
bonds (distance) C4'-P energy: -29.872
bonds (distance) P-C4' energy: -50.820
flat angles C4'-P-C4' energy: -33.756
flat angles P-C4'-P energy: -32.896
tors. eta vs tors. theta energy: -0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -966.736984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.736984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.736984 (E_RNA)
where:
Base-Base interactions energy: -673.989
where: short stacking energy: -299.315
Base-Backbone interact. energy: -0.657
local terms energy: -292.090635
where:
bonds (distance) C4'-P energy: -38.199
bonds (distance) P-C4' energy: -63.819
flat angles C4'-P-C4' energy: -63.727
flat angles P-C4'-P energy: -36.590
tors. eta vs tors. theta energy: -89.756
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: 2, replica: 3
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -916.998508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.998508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.998508 (E_RNA)
where:
Base-Base interactions energy: -634.534
where: short stacking energy: -287.280
Base-Backbone interact. energy: 0.798
local terms energy: -283.263064
where:
bonds (distance) C4'-P energy: -52.218
bonds (distance) P-C4' energy: -53.185
flat angles C4'-P-C4' energy: -56.841
flat angles P-C4'-P energy: -37.265
tors. eta vs tors. theta energy: -83.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -890.805976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.805976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.805976 (E_RNA)
where:
Base-Base interactions energy: -606.018
where: short stacking energy: -264.465
Base-Backbone interact. energy: -0.549
local terms energy: -284.239108
where:
bonds (distance) C4'-P energy: -48.464
bonds (distance) P-C4' energy: -52.478
flat angles C4'-P-C4' energy: -62.951
flat angles P-C4'-P energy: -42.075
tors. eta vs tors. theta energy: -78.270
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: 4, replica: 9
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -836.339985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.339985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.339985 (E_RNA)
where:
Base-Base interactions energy: -577.057
where: short stacking energy: -244.078
Base-Backbone interact. energy: 1.183
local terms energy: -260.466406
where:
bonds (distance) C4'-P energy: -47.336
bonds (distance) P-C4' energy: -49.542
flat angles C4'-P-C4' energy: -57.369
flat angles P-C4'-P energy: -32.066
tors. eta vs tors. theta energy: -74.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -826.963228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.963228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.963228 (E_RNA)
where:
Base-Base interactions energy: -564.843
where: short stacking energy: -259.391
Base-Backbone interact. energy: -0.210
local terms energy: -261.910649
where:
bonds (distance) C4'-P energy: -37.434
bonds (distance) P-C4' energy: -51.245
flat angles C4'-P-C4' energy: -61.261
flat angles P-C4'-P energy: -34.491
tors. eta vs tors. theta energy: -77.479
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: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -801.069912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.069912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.069912 (E_RNA)
where:
Base-Base interactions energy: -550.935
where: short stacking energy: -235.506
Base-Backbone interact. energy: 0.481
local terms energy: -250.616368
where:
bonds (distance) C4'-P energy: -36.480
bonds (distance) P-C4' energy: -53.911
flat angles C4'-P-C4' energy: -54.006
flat angles P-C4'-P energy: -39.852
tors. eta vs tors. theta energy: -66.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -736.427201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.427201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.427201 (E_RNA)
where:
Base-Base interactions energy: -500.973
where: short stacking energy: -217.559
Base-Backbone interact. energy: -0.183
local terms energy: -235.270461
where:
bonds (distance) C4'-P energy: -46.001
bonds (distance) P-C4' energy: -35.864
flat angles C4'-P-C4' energy: -56.760
flat angles P-C4'-P energy: -39.107
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: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -562.230214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.230214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.230214 (E_RNA)
where:
Base-Base interactions energy: -354.338
where: short stacking energy: -148.601
Base-Backbone interact. energy: -0.378
local terms energy: -207.514795
where:
bonds (distance) C4'-P energy: -50.461
bonds (distance) P-C4' energy: -42.340
flat angles C4'-P-C4' energy: -42.025
flat angles P-C4'-P energy: -31.135
tors. eta vs tors. theta energy: -41.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -431.056827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.056827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.056827 (E_RNA)
where:
Base-Base interactions energy: -269.664
where: short stacking energy: -135.095
Base-Backbone interact. energy: -2.278
local terms energy: -159.115252
where:
bonds (distance) C4'-P energy: -45.545
bonds (distance) P-C4' energy: -36.934
flat angles C4'-P-C4' energy: -40.220
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -265.858992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.858992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.858992 (E_RNA)
where:
Base-Base interactions energy: -108.294
where: short stacking energy: -62.835
Base-Backbone interact. energy: -1.049
local terms energy: -156.516388
where:
bonds (distance) C4'-P energy: -37.831
bonds (distance) P-C4' energy: -52.548
flat angles C4'-P-C4' energy: -35.005
flat angles P-C4'-P energy: -35.928
tors. eta vs tors. theta energy: 4.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -972.700171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.700171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.700171 (E_RNA)
where:
Base-Base interactions energy: -673.447
where: short stacking energy: -286.419
Base-Backbone interact. energy: -1.814
local terms energy: -297.438849
where:
bonds (distance) C4'-P energy: -52.862
bonds (distance) P-C4' energy: -54.948
flat angles C4'-P-C4' energy: -63.058
flat angles P-C4'-P energy: -37.161
tors. eta vs tors. theta energy: -89.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -931.906841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.906841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.906841 (E_RNA)
where:
Base-Base interactions energy: -649.947
where: short stacking energy: -258.302
Base-Backbone interact. energy: -1.985
local terms energy: -279.975240
where:
bonds (distance) C4'-P energy: -52.092
bonds (distance) P-C4' energy: -52.062
flat angles C4'-P-C4' energy: -59.371
flat angles P-C4'-P energy: -41.592
tors. eta vs tors. theta energy: -74.859
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: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -874.645830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.645830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.645830 (E_RNA)
where:
Base-Base interactions energy: -615.747
where: short stacking energy: -271.088
Base-Backbone interact. energy: 0.409
local terms energy: -259.307679
where:
bonds (distance) C4'-P energy: -41.008
bonds (distance) P-C4' energy: -53.496
flat angles C4'-P-C4' energy: -57.286
flat angles P-C4'-P energy: -32.837
tors. eta vs tors. theta energy: -74.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -858.474845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.474845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.474845 (E_RNA)
where:
Base-Base interactions energy: -582.108
where: short stacking energy: -274.347
Base-Backbone interact. energy: -0.369
local terms energy: -275.997993
where:
bonds (distance) C4'-P energy: -55.966
bonds (distance) P-C4' energy: -48.819
flat angles C4'-P-C4' energy: -54.915
flat angles P-C4'-P energy: -34.647
tors. eta vs tors. theta energy: -81.651
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: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -850.074112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.074112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.074112 (E_RNA)
where:
Base-Base interactions energy: -585.464
where: short stacking energy: -249.411
Base-Backbone interact. energy: -0.097
local terms energy: -264.512377
where:
bonds (distance) C4'-P energy: -53.916
bonds (distance) P-C4' energy: -43.954
flat angles C4'-P-C4' energy: -55.059
flat angles P-C4'-P energy: -40.140
tors. eta vs tors. theta energy: -71.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -810.031766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.031766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.031766 (E_RNA)
where:
Base-Base interactions energy: -564.043
where: short stacking energy: -254.286
Base-Backbone interact. energy: -1.558
local terms energy: -244.430717
where:
bonds (distance) C4'-P energy: -49.574
bonds (distance) P-C4' energy: -52.053
flat angles C4'-P-C4' energy: -50.503
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: -72.124
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: 7, replica: 6
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -728.464401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.464401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.464401 (E_RNA)
where:
Base-Base interactions energy: -500.179
where: short stacking energy: -215.157
Base-Backbone interact. energy: -1.907
local terms energy: -226.377794
where:
bonds (distance) C4'-P energy: -35.105
bonds (distance) P-C4' energy: -45.140
flat angles C4'-P-C4' energy: -48.343
flat angles P-C4'-P energy: -43.326
tors. eta vs tors. theta energy: -54.464
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: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -595.489069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.489069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.489069 (E_RNA)
where:
Base-Base interactions energy: -374.328
where: short stacking energy: -171.829
Base-Backbone interact. energy: -0.801
local terms energy: -220.360621
where:
bonds (distance) C4'-P energy: -41.904
bonds (distance) P-C4' energy: -57.695
flat angles C4'-P-C4' energy: -48.437
flat angles P-C4'-P energy: -33.469
tors. eta vs tors. theta energy: -38.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -443.943143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.943143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.943143 (E_RNA)
where:
Base-Base interactions energy: -276.396
where: short stacking energy: -136.116
Base-Backbone interact. energy: -0.863
local terms energy: -166.684353
where:
bonds (distance) C4'-P energy: -29.061
bonds (distance) P-C4' energy: -32.155
flat angles C4'-P-C4' energy: -53.462
flat angles P-C4'-P energy: -23.964
tors. eta vs tors. theta energy: -28.042
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: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -267.325828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.325828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.325828 (E_RNA)
where:
Base-Base interactions energy: -118.294
where: short stacking energy: -83.701
Base-Backbone interact. energy: -1.078
local terms energy: -147.953475
where:
bonds (distance) C4'-P energy: -41.440
bonds (distance) P-C4' energy: -41.986
flat angles C4'-P-C4' energy: -36.692
flat angles P-C4'-P energy: -18.404
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: 1
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -958.466234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.466234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.466234 (E_RNA)
where:
Base-Base interactions energy: -652.562
where: short stacking energy: -288.799
Base-Backbone interact. energy: -0.857
local terms energy: -305.046825
where:
bonds (distance) C4'-P energy: -48.520
bonds (distance) P-C4' energy: -59.086
flat angles C4'-P-C4' energy: -64.509
flat angles P-C4'-P energy: -44.572
tors. eta vs tors. theta energy: -88.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -947.545512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.545512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.545512 (E_RNA)
where:
Base-Base interactions energy: -654.127
where: short stacking energy: -285.036
Base-Backbone interact. energy: -0.839
local terms energy: -292.579668
where:
bonds (distance) C4'-P energy: -49.912
bonds (distance) P-C4' energy: -57.673
flat angles C4'-P-C4' energy: -61.855
flat angles P-C4'-P energy: -35.295
tors. eta vs tors. theta energy: -87.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -878.225449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.225449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.225449 (E_RNA)
where:
Base-Base interactions energy: -580.438
where: short stacking energy: -274.319
Base-Backbone interact. energy: -1.181
local terms energy: -296.606187
where:
bonds (distance) C4'-P energy: -53.138
bonds (distance) P-C4' energy: -51.713
flat angles C4'-P-C4' energy: -63.422
flat angles P-C4'-P energy: -43.413
tors. eta vs tors. theta energy: -84.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -850.859811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.859811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.859811 (E_RNA)
where:
Base-Base interactions energy: -593.622
where: short stacking energy: -254.129
Base-Backbone interact. energy: -0.378
local terms energy: -256.859697
where:
bonds (distance) C4'-P energy: -39.004
bonds (distance) P-C4' energy: -50.639
flat angles C4'-P-C4' energy: -54.854
flat angles P-C4'-P energy: -37.506
tors. eta vs tors. theta energy: -74.857
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: 5, replica: 8
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -824.754004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.754004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.754004 (E_RNA)
where:
Base-Base interactions energy: -569.011
where: short stacking energy: -249.456
Base-Backbone interact. energy: 0.562
local terms energy: -256.304587
where:
bonds (distance) C4'-P energy: -43.907
bonds (distance) P-C4' energy: -51.826
flat angles C4'-P-C4' energy: -53.039
flat angles P-C4'-P energy: -40.640
tors. eta vs tors. theta energy: -66.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -800.591230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.591230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.591230 (E_RNA)
where:
Base-Base interactions energy: -549.369
where: short stacking energy: -237.363
Base-Backbone interact. energy: -1.509
local terms energy: -249.712748
where:
bonds (distance) C4'-P energy: -44.052
bonds (distance) P-C4' energy: -47.088
flat angles C4'-P-C4' energy: -54.795
flat angles P-C4'-P energy: -34.809
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: 7, replica: 6
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -721.511530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.511530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.511530 (E_RNA)
where:
Base-Base interactions energy: -517.342
where: short stacking energy: -215.062
Base-Backbone interact. energy: -0.636
local terms energy: -203.533347
where:
bonds (distance) C4'-P energy: -42.052
bonds (distance) P-C4' energy: -41.112
flat angles C4'-P-C4' energy: -35.501
flat angles P-C4'-P energy: -25.815
tors. eta vs tors. theta energy: -59.053
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: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -573.290050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.290050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.290050 (E_RNA)
where:
Base-Base interactions energy: -367.458
where: short stacking energy: -187.402
Base-Backbone interact. energy: -0.789
local terms energy: -205.043209
where:
bonds (distance) C4'-P energy: -33.502
bonds (distance) P-C4' energy: -40.498
flat angles C4'-P-C4' energy: -47.791
flat angles P-C4'-P energy: -34.109
tors. eta vs tors. theta energy: -49.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -443.899472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.899472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.899472 (E_RNA)
where:
Base-Base interactions energy: -266.037
where: short stacking energy: -138.249
Base-Backbone interact. energy: -0.954
local terms energy: -176.908880
where:
bonds (distance) C4'-P energy: -42.310
bonds (distance) P-C4' energy: -42.987
flat angles C4'-P-C4' energy: -40.863
flat angles P-C4'-P energy: -25.823
tors. eta vs tors. theta energy: -24.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -283.729237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.729237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.729237 (E_RNA)
where:
Base-Base interactions energy: -128.281
where: short stacking energy: -90.857
Base-Backbone interact. energy: -1.710
local terms energy: -153.737799
where:
bonds (distance) C4'-P energy: -35.031
bonds (distance) P-C4' energy: -50.938
flat angles C4'-P-C4' energy: -53.979
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: 1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -976.415831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.415831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.415831 (E_RNA)
where:
Base-Base interactions energy: -688.732
where: short stacking energy: -294.347
Base-Backbone interact. energy: -1.299
local terms energy: -286.385309
where:
bonds (distance) C4'-P energy: -49.305
bonds (distance) P-C4' energy: -49.065
flat angles C4'-P-C4' energy: -62.033
flat angles P-C4'-P energy: -41.243
tors. eta vs tors. theta energy: -84.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -955.145400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.145400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.145400 (E_RNA)
where:
Base-Base interactions energy: -670.791
where: short stacking energy: -286.673
Base-Backbone interact. energy: 0.161
local terms energy: -284.515476
where:
bonds (distance) C4'-P energy: -47.307
bonds (distance) P-C4' energy: -53.899
flat angles C4'-P-C4' energy: -56.464
flat angles P-C4'-P energy: -42.755
tors. eta vs tors. theta energy: -84.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -856.425418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.425418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.425418 (E_RNA)
where:
Base-Base interactions energy: -588.756
where: short stacking energy: -248.123
Base-Backbone interact. energy: 0.123
local terms energy: -267.792381
where:
bonds (distance) C4'-P energy: -51.391
bonds (distance) P-C4' energy: -47.307
flat angles C4'-P-C4' energy: -57.574
flat angles P-C4'-P energy: -38.473
tors. eta vs tors. theta energy: -73.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -827.963793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.963793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.963793 (E_RNA)
where:
Base-Base interactions energy: -554.909
where: short stacking energy: -253.042
Base-Backbone interact. energy: -0.819
local terms energy: -272.236036
where:
bonds (distance) C4'-P energy: -49.314
bonds (distance) P-C4' energy: -52.196
flat angles C4'-P-C4' energy: -51.787
flat angles P-C4'-P energy: -45.358
tors. eta vs tors. theta energy: -73.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -833.308810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.308810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.308810 (E_RNA)
where:
Base-Base interactions energy: -576.155
where: short stacking energy: -247.124
Base-Backbone interact. energy: -1.570
local terms energy: -255.584179
where:
bonds (distance) C4'-P energy: -48.394
bonds (distance) P-C4' energy: -41.725
flat angles C4'-P-C4' energy: -56.075
flat angles P-C4'-P energy: -32.495
tors. eta vs tors. theta energy: -76.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -809.929919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.929919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.929919 (E_RNA)
where:
Base-Base interactions energy: -575.898
where: short stacking energy: -231.790
Base-Backbone interact. energy: 3.532
local terms energy: -237.564168
where:
bonds (distance) C4'-P energy: -43.957
bonds (distance) P-C4' energy: -47.549
flat angles C4'-P-C4' energy: -49.648
flat angles P-C4'-P energy: -33.752
tors. eta vs tors. theta energy: -62.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -741.451122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.451122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.451122 (E_RNA)
where:
Base-Base interactions energy: -510.250
where: short stacking energy: -207.785
Base-Backbone interact. energy: -1.725
local terms energy: -229.476190
where:
bonds (distance) C4'-P energy: -48.928
bonds (distance) P-C4' energy: -44.724
flat angles C4'-P-C4' energy: -41.516
flat angles P-C4'-P energy: -34.647
tors. eta vs tors. theta energy: -59.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -533.319630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.319630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.319630 (E_RNA)
where:
Base-Base interactions energy: -339.470
where: short stacking energy: -149.152
Base-Backbone interact. energy: -0.357
local terms energy: -193.492692
where:
bonds (distance) C4'-P energy: -45.221
bonds (distance) P-C4' energy: -41.701
flat angles C4'-P-C4' energy: -42.765
flat angles P-C4'-P energy: -32.712
tors. eta vs tors. theta energy: -31.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -444.496541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.496541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.496541 (E_RNA)
where:
Base-Base interactions energy: -273.227
where: short stacking energy: -122.337
Base-Backbone interact. energy: -1.779
local terms energy: -169.491036
where:
bonds (distance) C4'-P energy: -43.510
bonds (distance) P-C4' energy: -44.441
flat angles C4'-P-C4' energy: -46.613
flat angles P-C4'-P energy: -21.153
tors. eta vs tors. theta energy: -13.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -285.995015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.995015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.995015 (E_RNA)
where:
Base-Base interactions energy: -140.835
where: short stacking energy: -77.375
Base-Backbone interact. energy: 3.434
local terms energy: -148.593345
where:
bonds (distance) C4'-P energy: -43.509
bonds (distance) P-C4' energy: -48.139
flat angles C4'-P-C4' energy: -29.077
flat angles P-C4'-P energy: -28.185
tors. eta vs tors. theta energy: 0.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -966.627998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.627998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.627998 (E_RNA)
where:
Base-Base interactions energy: -679.110
where: short stacking energy: -295.549
Base-Backbone interact. energy: -1.247
local terms energy: -286.270328
where:
bonds (distance) C4'-P energy: -48.684
bonds (distance) P-C4' energy: -51.765
flat angles C4'-P-C4' energy: -55.833
flat angles P-C4'-P energy: -40.450
tors. eta vs tors. theta energy: -89.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -966.021892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.021892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.021892 (E_RNA)
where:
Base-Base interactions energy: -676.777
where: short stacking energy: -280.086
Base-Backbone interact. energy: -1.856
local terms energy: -287.388100
where:
bonds (distance) C4'-P energy: -48.464
bonds (distance) P-C4' energy: -59.796
flat angles C4'-P-C4' energy: -56.011
flat angles P-C4'-P energy: -44.137
tors. eta vs tors. theta energy: -78.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -844.289101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.289101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.289101 (E_RNA)
where:
Base-Base interactions energy: -592.767
where: short stacking energy: -252.445
Base-Backbone interact. energy: -0.310
local terms energy: -251.212296
where:
bonds (distance) C4'-P energy: -53.845
bonds (distance) P-C4' energy: -39.055
flat angles C4'-P-C4' energy: -50.284
flat angles P-C4'-P energy: -34.005
tors. eta vs tors. theta energy: -74.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -835.605191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.605191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.605191 (E_RNA)
where:
Base-Base interactions energy: -571.360
where: short stacking energy: -248.060
Base-Backbone interact. energy: -1.701
local terms energy: -262.544509
where:
bonds (distance) C4'-P energy: -50.166
bonds (distance) P-C4' energy: -41.826
flat angles C4'-P-C4' energy: -54.130
flat angles P-C4'-P energy: -42.585
tors. eta vs tors. theta energy: -73.838
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: 2
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -819.920427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.920427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.920427 (E_RNA)
where:
Base-Base interactions energy: -561.423
where: short stacking energy: -242.896
Base-Backbone interact. energy: -1.618
local terms energy: -256.879667
where:
bonds (distance) C4'-P energy: -55.576
bonds (distance) P-C4' energy: -47.794
flat angles C4'-P-C4' energy: -51.888
flat angles P-C4'-P energy: -35.543
tors. eta vs tors. theta energy: -66.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -812.616160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.616160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.616160 (E_RNA)
where:
Base-Base interactions energy: -561.088
where: short stacking energy: -235.242
Base-Backbone interact. energy: -2.349
local terms energy: -249.179532
where:
bonds (distance) C4'-P energy: -48.706
bonds (distance) P-C4' energy: -39.326
flat angles C4'-P-C4' energy: -60.593
flat angles P-C4'-P energy: -38.771
tors. eta vs tors. theta energy: -61.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -740.443822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.443822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.443822 (E_RNA)
where:
Base-Base interactions energy: -503.961
where: short stacking energy: -211.988
Base-Backbone interact. energy: -0.555
local terms energy: -235.927383
where:
bonds (distance) C4'-P energy: -43.903
bonds (distance) P-C4' energy: -53.326
flat angles C4'-P-C4' energy: -50.498
flat angles P-C4'-P energy: -33.023
tors. eta vs tors. theta energy: -55.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -534.880634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.880634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.880634 (E_RNA)
where:
Base-Base interactions energy: -339.172
where: short stacking energy: -159.008
Base-Backbone interact. energy: 1.447
local terms energy: -197.155524
where:
bonds (distance) C4'-P energy: -36.546
bonds (distance) P-C4' energy: -36.697
flat angles C4'-P-C4' energy: -47.165
flat angles P-C4'-P energy: -37.249
tors. eta vs tors. theta energy: -39.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -433.527763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.527763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.527763 (E_RNA)
where:
Base-Base interactions energy: -270.756
where: short stacking energy: -132.297
Base-Backbone interact. energy: 0.218
local terms energy: -162.990006
where:
bonds (distance) C4'-P energy: -31.808
bonds (distance) P-C4' energy: -34.595
flat angles C4'-P-C4' energy: -47.885
flat angles P-C4'-P energy: -28.536
tors. eta vs tors. theta energy: -20.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -291.864202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.864202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.864202 (E_RNA)
where:
Base-Base interactions energy: -132.722
where: short stacking energy: -74.466
Base-Backbone interact. energy: -1.058
local terms energy: -158.083821
where:
bonds (distance) C4'-P energy: -37.456
bonds (distance) P-C4' energy: -56.091
flat angles C4'-P-C4' energy: -44.560
flat angles P-C4'-P energy: -28.706
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: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -958.529906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.529906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.529906 (E_RNA)
where:
Base-Base interactions energy: -657.958
where: short stacking energy: -289.952
Base-Backbone interact. energy: -0.514
local terms energy: -300.058304
where:
bonds (distance) C4'-P energy: -48.208
bonds (distance) P-C4' energy: -54.968
flat angles C4'-P-C4' energy: -66.405
flat angles P-C4'-P energy: -42.869
tors. eta vs tors. theta energy: -87.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -958.072328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.072328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.072328 (E_RNA)
where:
Base-Base interactions energy: -667.419
where: short stacking energy: -291.632
Base-Backbone interact. energy: 3.638
local terms energy: -294.291341
where:
bonds (distance) C4'-P energy: -52.393
bonds (distance) P-C4' energy: -53.880
flat angles C4'-P-C4' energy: -59.186
flat angles P-C4'-P energy: -40.603
tors. eta vs tors. theta energy: -88.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -872.126360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.126360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.126360 (E_RNA)
where:
Base-Base interactions energy: -608.181
where: short stacking energy: -244.484
Base-Backbone interact. energy: -0.176
local terms energy: -263.769692
where:
bonds (distance) C4'-P energy: -37.363
bonds (distance) P-C4' energy: -52.185
flat angles C4'-P-C4' energy: -56.386
flat angles P-C4'-P energy: -45.888
tors. eta vs tors. theta energy: -71.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -825.227448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.227448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.227448 (E_RNA)
where:
Base-Base interactions energy: -574.297
where: short stacking energy: -243.871
Base-Backbone interact. energy: -0.648
local terms energy: -250.283121
where:
bonds (distance) C4'-P energy: -44.206
bonds (distance) P-C4' energy: -49.026
flat angles C4'-P-C4' energy: -51.520
flat angles P-C4'-P energy: -37.549
tors. eta vs tors. theta energy: -67.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -828.661312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.661312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.661312 (E_RNA)
where:
Base-Base interactions energy: -576.003
where: short stacking energy: -231.494
Base-Backbone interact. energy: -0.427
local terms energy: -252.231636
where:
bonds (distance) C4'-P energy: -53.268
bonds (distance) P-C4' energy: -42.879
flat angles C4'-P-C4' energy: -53.454
flat angles P-C4'-P energy: -39.936
tors. eta vs tors. theta energy: -62.695
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: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -775.246629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.246629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.246629 (E_RNA)
where:
Base-Base interactions energy: -527.101
where: short stacking energy: -220.119
Base-Backbone interact. energy: -1.253
local terms energy: -246.892395
where:
bonds (distance) C4'-P energy: -41.311
bonds (distance) P-C4' energy: -49.951
flat angles C4'-P-C4' energy: -59.245
flat angles P-C4'-P energy: -35.874
tors. eta vs tors. theta energy: -60.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -755.859929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.859929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.859929 (E_RNA)
where:
Base-Base interactions energy: -525.801
where: short stacking energy: -234.442
Base-Backbone interact. energy: -1.967
local terms energy: -228.091629
where:
bonds (distance) C4'-P energy: -43.686
bonds (distance) P-C4' energy: -42.226
flat angles C4'-P-C4' energy: -45.831
flat angles P-C4'-P energy: -29.649
tors. eta vs tors. theta energy: -66.700
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: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -547.022087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.022087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.022087 (E_RNA)
where:
Base-Base interactions energy: -352.282
where: short stacking energy: -142.134
Base-Backbone interact. energy: -1.267
local terms energy: -193.473709
where:
bonds (distance) C4'-P energy: -44.029
bonds (distance) P-C4' energy: -45.479
flat angles C4'-P-C4' energy: -49.048
flat angles P-C4'-P energy: -33.827
tors. eta vs tors. theta energy: -21.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -432.113964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.113964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.113964 (E_RNA)
where:
Base-Base interactions energy: -259.108
where: short stacking energy: -124.449
Base-Backbone interact. energy: -0.791
local terms energy: -172.214843
where:
bonds (distance) C4'-P energy: -32.904
bonds (distance) P-C4' energy: -41.449
flat angles C4'-P-C4' energy: -45.656
flat angles P-C4'-P energy: -36.798
tors. eta vs tors. theta energy: -15.408
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: 418
Temperature: 1.350000
Total energy: -301.548761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.548761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.548761 (E_RNA)
where:
Base-Base interactions energy: -150.626
where: short stacking energy: -90.715
Base-Backbone interact. energy: -1.302
local terms energy: -149.621258
where:
bonds (distance) C4'-P energy: -45.923
bonds (distance) P-C4' energy: -41.355
flat angles C4'-P-C4' energy: -39.337
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -10.129
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: 419
Temperature: 0.900000
Total energy: -926.777589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.777589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.777589 (E_RNA)
where:
Base-Base interactions energy: -641.820
where: short stacking energy: -276.358
Base-Backbone interact. energy: -0.093
local terms energy: -284.864770
where:
bonds (distance) C4'-P energy: -43.571
bonds (distance) P-C4' energy: -54.400
flat angles C4'-P-C4' energy: -62.935
flat angles P-C4'-P energy: -44.083
tors. eta vs tors. theta energy: -79.876
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: 419
Temperature: 0.950000
Total energy: -948.177768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.177768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.177768 (E_RNA)
where:
Base-Base interactions energy: -652.074
where: short stacking energy: -280.675
Base-Backbone interact. energy: -0.699
local terms energy: -295.405121
where:
bonds (distance) C4'-P energy: -54.124
bonds (distance) P-C4' energy: -56.381
flat angles C4'-P-C4' energy: -64.182
flat angles P-C4'-P energy: -40.074
tors. eta vs tors. theta energy: -80.644
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: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -866.878422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.878422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.878422 (E_RNA)
where:
Base-Base interactions energy: -624.115
where: short stacking energy: -248.809
Base-Backbone interact. energy: -0.179
local terms energy: -242.584597
where:
bonds (distance) C4'-P energy: -45.646
bonds (distance) P-C4' energy: -49.010
flat angles C4'-P-C4' energy: -49.131
flat angles P-C4'-P energy: -29.884
tors. eta vs tors. theta energy: -68.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -861.852161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.852161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.852161 (E_RNA)
where:
Base-Base interactions energy: -599.044
where: short stacking energy: -244.722
Base-Backbone interact. energy: -1.177
local terms energy: -261.630931
where:
bonds (distance) C4'-P energy: -48.321
bonds (distance) P-C4' energy: -55.773
flat angles C4'-P-C4' energy: -53.011
flat angles P-C4'-P energy: -35.627
tors. eta vs tors. theta energy: -68.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -829.914740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.914740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.914740 (E_RNA)
where:
Base-Base interactions energy: -571.394
where: short stacking energy: -262.183
Base-Backbone interact. energy: -0.509
local terms energy: -258.011739
where:
bonds (distance) C4'-P energy: -47.321
bonds (distance) P-C4' energy: -51.615
flat angles C4'-P-C4' energy: -50.612
flat angles P-C4'-P energy: -32.139
tors. eta vs tors. theta energy: -76.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -743.934346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.934346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.934346 (E_RNA)
where:
Base-Base interactions energy: -499.707
where: short stacking energy: -220.258
Base-Backbone interact. energy: -0.721
local terms energy: -243.505569
where:
bonds (distance) C4'-P energy: -51.977
bonds (distance) P-C4' energy: -45.273
flat angles C4'-P-C4' energy: -54.032
flat angles P-C4'-P energy: -29.652
tors. eta vs tors. theta energy: -62.572
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: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -752.845851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.845851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.845851 (E_RNA)
where:
Base-Base interactions energy: -531.774
where: short stacking energy: -234.136
Base-Backbone interact. energy: -0.662
local terms energy: -220.410005
where:
bonds (distance) C4'-P energy: -39.922
bonds (distance) P-C4' energy: -48.183
flat angles C4'-P-C4' energy: -50.753
flat angles P-C4'-P energy: -25.002
tors. eta vs tors. theta energy: -56.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -585.362495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.362495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.362495 (E_RNA)
where:
Base-Base interactions energy: -384.643
where: short stacking energy: -160.664
Base-Backbone interact. energy: 0.956
local terms energy: -201.675322
where:
bonds (distance) C4'-P energy: -37.326
bonds (distance) P-C4' energy: -45.948
flat angles C4'-P-C4' energy: -56.698
flat angles P-C4'-P energy: -31.566
tors. eta vs tors. theta energy: -30.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -409.937347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.937347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.937347 (E_RNA)
where:
Base-Base interactions energy: -239.664
where: short stacking energy: -101.383
Base-Backbone interact. energy: 1.680
local terms energy: -171.953159
where:
bonds (distance) C4'-P energy: -44.223
bonds (distance) P-C4' energy: -54.219
flat angles C4'-P-C4' energy: -37.175
flat angles P-C4'-P energy: -26.970
tors. eta vs tors. theta energy: -9.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -280.764850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.764850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.764850 (E_RNA)
where:
Base-Base interactions energy: -131.950
where: short stacking energy: -66.390
Base-Backbone interact. energy: -0.976
local terms energy: -147.839263
where:
bonds (distance) C4'-P energy: -34.906
bonds (distance) P-C4' energy: -41.727
flat angles C4'-P-C4' energy: -37.457
flat angles P-C4'-P energy: -31.852
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -957.606588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.606588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.606588 (E_RNA)
where:
Base-Base interactions energy: -653.203
where: short stacking energy: -297.575
Base-Backbone interact. energy: -1.435
local terms energy: -302.968732
where:
bonds (distance) C4'-P energy: -48.729
bonds (distance) P-C4' energy: -60.402
flat angles C4'-P-C4' energy: -58.776
flat angles P-C4'-P energy: -43.166
tors. eta vs tors. theta energy: -91.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -937.913444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.913444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.913444 (E_RNA)
where:
Base-Base interactions energy: -650.301
where: short stacking energy: -274.359
Base-Backbone interact. energy: -0.842
local terms energy: -286.770340
where:
bonds (distance) C4'-P energy: -47.831
bonds (distance) P-C4' energy: -57.504
flat angles C4'-P-C4' energy: -58.998
flat angles P-C4'-P energy: -45.367
tors. eta vs tors. theta energy: -77.071
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: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -873.489401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.489401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.489401 (E_RNA)
where:
Base-Base interactions energy: -600.881
where: short stacking energy: -241.808
Base-Backbone interact. energy: -0.318
local terms energy: -272.289484
where:
bonds (distance) C4'-P energy: -47.038
bonds (distance) P-C4' energy: -51.364
flat angles C4'-P-C4' energy: -54.690
flat angles P-C4'-P energy: -43.341
tors. eta vs tors. theta energy: -75.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -835.513504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.513504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.513504 (E_RNA)
where:
Base-Base interactions energy: -561.862
where: short stacking energy: -243.795
Base-Backbone interact. energy: -0.763
local terms energy: -272.888991
where:
bonds (distance) C4'-P energy: -52.679
bonds (distance) P-C4' energy: -56.250
flat angles C4'-P-C4' energy: -58.225
flat angles P-C4'-P energy: -34.296
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: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -770.510407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.510407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.510407 (E_RNA)
where:
Base-Base interactions energy: -523.475
where: short stacking energy: -236.128
Base-Backbone interact. energy: 0.097
local terms energy: -247.132924
where:
bonds (distance) C4'-P energy: -41.350
bonds (distance) P-C4' energy: -50.862
flat angles C4'-P-C4' energy: -53.495
flat angles P-C4'-P energy: -38.661
tors. eta vs tors. theta energy: -62.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -786.826203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.826203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.826203 (E_RNA)
where:
Base-Base interactions energy: -529.852
where: short stacking energy: -222.342
Base-Backbone interact. energy: -1.207
local terms energy: -255.766709
where:
bonds (distance) C4'-P energy: -54.657
bonds (distance) P-C4' energy: -53.017
flat angles C4'-P-C4' energy: -48.728
flat angles P-C4'-P energy: -30.748
tors. eta vs tors. theta energy: -68.616
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: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -754.392346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.392346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.392346 (E_RNA)
where:
Base-Base interactions energy: -533.499
where: short stacking energy: -220.337
Base-Backbone interact. energy: -0.389
local terms energy: -220.504283
where:
bonds (distance) C4'-P energy: -29.245
bonds (distance) P-C4' energy: -50.120
flat angles C4'-P-C4' energy: -49.416
flat angles P-C4'-P energy: -32.006
tors. eta vs tors. theta energy: -59.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -596.338653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.338653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.338653 (E_RNA)
where:
Base-Base interactions energy: -405.160
where: short stacking energy: -187.690
Base-Backbone interact. energy: -1.004
local terms energy: -190.175144
where:
bonds (distance) C4'-P energy: -38.820
bonds (distance) P-C4' energy: -47.850
flat angles C4'-P-C4' energy: -40.988
flat angles P-C4'-P energy: -21.790
tors. eta vs tors. theta energy: -40.728
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: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -406.455696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.455696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.455696 (E_RNA)
where:
Base-Base interactions energy: -237.256
where: short stacking energy: -121.499
Base-Backbone interact. energy: -0.850
local terms energy: -168.349771
where:
bonds (distance) C4'-P energy: -49.063
bonds (distance) P-C4' energy: -50.196
flat angles C4'-P-C4' energy: -32.624
flat angles P-C4'-P energy: -23.214
tors. eta vs tors. theta energy: -13.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -293.722944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.722944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.722944 (E_RNA)
where:
Base-Base interactions energy: -145.177
where: short stacking energy: -91.667
Base-Backbone interact. energy: 4.125
local terms energy: -152.670645
where:
bonds (distance) C4'-P energy: -44.037
bonds (distance) P-C4' energy: -38.874
flat angles C4'-P-C4' energy: -50.403
flat angles P-C4'-P energy: -23.627
tors. eta vs tors. theta energy: 4.270
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: 421
Temperature: 0.900000
Total energy: -963.310910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.310910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.310910 (E_RNA)
where:
Base-Base interactions energy: -663.098
where: short stacking energy: -300.591
Base-Backbone interact. energy: -0.072
local terms energy: -300.140604
where:
bonds (distance) C4'-P energy: -52.385
bonds (distance) P-C4' energy: -55.051
flat angles C4'-P-C4' energy: -61.740
flat angles P-C4'-P energy: -42.960
tors. eta vs tors. theta energy: -88.005
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: 3
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -940.243663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.243663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.243663 (E_RNA)
where:
Base-Base interactions energy: -654.063
where: short stacking energy: -274.286
Base-Backbone interact. energy: 0.912
local terms energy: -287.092333
where:
bonds (distance) C4'-P energy: -54.272
bonds (distance) P-C4' energy: -58.014
flat angles C4'-P-C4' energy: -54.088
flat angles P-C4'-P energy: -46.402
tors. eta vs tors. theta energy: -74.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -857.227268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.227268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.227268 (E_RNA)
where:
Base-Base interactions energy: -591.749
where: short stacking energy: -241.427
Base-Backbone interact. energy: -0.518
local terms energy: -264.959931
where:
bonds (distance) C4'-P energy: -54.365
bonds (distance) P-C4' energy: -49.042
flat angles C4'-P-C4' energy: -55.303
flat angles P-C4'-P energy: -45.328
tors. eta vs tors. theta energy: -60.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -841.551514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.551514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.551514 (E_RNA)
where:
Base-Base interactions energy: -585.230
where: short stacking energy: -243.705
Base-Backbone interact. energy: -0.599
local terms energy: -255.722599
where:
bonds (distance) C4'-P energy: -46.419
bonds (distance) P-C4' energy: -49.734
flat angles C4'-P-C4' energy: -49.509
flat angles P-C4'-P energy: -42.432
tors. eta vs tors. theta energy: -67.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -760.643623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.643623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.643623 (E_RNA)
where:
Base-Base interactions energy: -532.165
where: short stacking energy: -223.787
Base-Backbone interact. energy: -1.015
local terms energy: -227.464026
where:
bonds (distance) C4'-P energy: -32.878
bonds (distance) P-C4' energy: -39.637
flat angles C4'-P-C4' energy: -52.012
flat angles P-C4'-P energy: -36.403
tors. eta vs tors. theta energy: -66.534
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: 2
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -789.528985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.528985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.528985 (E_RNA)
where:
Base-Base interactions energy: -539.504
where: short stacking energy: -237.297
Base-Backbone interact. energy: -1.208
local terms energy: -248.817114
where:
bonds (distance) C4'-P energy: -51.772
bonds (distance) P-C4' energy: -41.894
flat angles C4'-P-C4' energy: -50.996
flat angles P-C4'-P energy: -38.922
tors. eta vs tors. theta energy: -65.233
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: 421
Temperature: 1.200000
Total energy: -745.488453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.488453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.488453 (E_RNA)
where:
Base-Base interactions energy: -513.983
where: short stacking energy: -208.824
Base-Backbone interact. energy: -0.873
local terms energy: -230.632058
where:
bonds (distance) C4'-P energy: -39.717
bonds (distance) P-C4' energy: -49.050
flat angles C4'-P-C4' energy: -54.807
flat angles P-C4'-P energy: -32.501
tors. eta vs tors. theta energy: -54.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -595.134888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.134888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.134888 (E_RNA)
where:
Base-Base interactions energy: -397.447
where: short stacking energy: -173.169
Base-Backbone interact. energy: 3.191
local terms energy: -200.879226
where:
bonds (distance) C4'-P energy: -40.112
bonds (distance) P-C4' energy: -44.795
flat angles C4'-P-C4' energy: -49.272
flat angles P-C4'-P energy: -25.054
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: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -410.820408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.820408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.820408 (E_RNA)
where:
Base-Base interactions energy: -247.843
where: short stacking energy: -124.596
Base-Backbone interact. energy: -0.325
local terms energy: -162.651816
where:
bonds (distance) C4'-P energy: -40.283
bonds (distance) P-C4' energy: -45.067
flat angles C4'-P-C4' energy: -35.323
flat angles P-C4'-P energy: -25.931
tors. eta vs tors. theta energy: -16.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -299.831770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.831770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.831770 (E_RNA)
where:
Base-Base interactions energy: -138.510
where: short stacking energy: -82.243
Base-Backbone interact. energy: -1.263
local terms energy: -160.059122
where:
bonds (distance) C4'-P energy: -41.776
bonds (distance) P-C4' energy: -45.301
flat angles C4'-P-C4' energy: -35.734
flat angles P-C4'-P energy: -34.192
tors. eta vs tors. theta energy: -3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -955.687446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.687446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.687446 (E_RNA)
where:
Base-Base interactions energy: -661.025
where: short stacking energy: -297.138
Base-Backbone interact. energy: -0.619
local terms energy: -294.044273
where:
bonds (distance) C4'-P energy: -45.319
bonds (distance) P-C4' energy: -49.677
flat angles C4'-P-C4' energy: -60.051
flat angles P-C4'-P energy: -47.678
tors. eta vs tors. theta energy: -91.319
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: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -954.070177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.070177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.070177 (E_RNA)
where:
Base-Base interactions energy: -651.166
where: short stacking energy: -277.706
Base-Backbone interact. energy: -0.218
local terms energy: -302.686489
where:
bonds (distance) C4'-P energy: -55.289
bonds (distance) P-C4' energy: -55.711
flat angles C4'-P-C4' energy: -63.947
flat angles P-C4'-P energy: -47.379
tors. eta vs tors. theta energy: -80.360
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: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -872.470687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.470687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.470687 (E_RNA)
where:
Base-Base interactions energy: -608.119
where: short stacking energy: -260.672
Base-Backbone interact. energy: -1.106
local terms energy: -263.245120
where:
bonds (distance) C4'-P energy: -43.825
bonds (distance) P-C4' energy: -47.582
flat angles C4'-P-C4' energy: -52.228
flat angles P-C4'-P energy: -41.414
tors. eta vs tors. theta energy: -78.196
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: 422
Temperature: 1.050000
Total energy: -840.058701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.058701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.058701 (E_RNA)
where:
Base-Base interactions energy: -565.435
where: short stacking energy: -261.841
Base-Backbone interact. energy: -1.338
local terms energy: -273.286185
where:
bonds (distance) C4'-P energy: -44.706
bonds (distance) P-C4' energy: -51.863
flat angles C4'-P-C4' energy: -57.393
flat angles P-C4'-P energy: -43.479
tors. eta vs tors. theta energy: -75.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -826.998870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.998870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.998870 (E_RNA)
where:
Base-Base interactions energy: -562.908
where: short stacking energy: -260.976
Base-Backbone interact. energy: -1.222
local terms energy: -262.869768
where:
bonds (distance) C4'-P energy: -43.439
bonds (distance) P-C4' energy: -51.341
flat angles C4'-P-C4' energy: -59.751
flat angles P-C4'-P energy: -36.041
tors. eta vs tors. theta energy: -72.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -741.184088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.184088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.184088 (E_RNA)
where:
Base-Base interactions energy: -497.152
where: short stacking energy: -208.042
Base-Backbone interact. energy: -0.549
local terms energy: -243.482817
where:
bonds (distance) C4'-P energy: -44.746
bonds (distance) P-C4' energy: -51.893
flat angles C4'-P-C4' energy: -57.720
flat angles P-C4'-P energy: -29.721
tors. eta vs tors. theta energy: -59.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -743.696443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.696443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.696443 (E_RNA)
where:
Base-Base interactions energy: -514.635
where: short stacking energy: -205.399
Base-Backbone interact. energy: -0.398
local terms energy: -228.664275
where:
bonds (distance) C4'-P energy: -42.939
bonds (distance) P-C4' energy: -50.852
flat angles C4'-P-C4' energy: -44.912
flat angles P-C4'-P energy: -35.222
tors. eta vs tors. theta energy: -54.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -638.917428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.917428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.917428 (E_RNA)
where:
Base-Base interactions energy: -399.181
where: short stacking energy: -186.916
Base-Backbone interact. energy: -0.765
local terms energy: -238.971208
where:
bonds (distance) C4'-P energy: -57.536
bonds (distance) P-C4' energy: -46.718
flat angles C4'-P-C4' energy: -53.074
flat angles P-C4'-P energy: -35.131
tors. eta vs tors. theta energy: -46.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -480.476404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.476404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.476404 (E_RNA)
where:
Base-Base interactions energy: -307.258
where: short stacking energy: -143.668
Base-Backbone interact. energy: -0.963
local terms energy: -172.255766
where:
bonds (distance) C4'-P energy: -42.128
bonds (distance) P-C4' energy: -33.927
flat angles C4'-P-C4' energy: -43.184
flat angles P-C4'-P energy: -28.167
tors. eta vs tors. theta energy: -24.850
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: 422
Temperature: 1.350000
Total energy: -277.956874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.956874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.956874 (E_RNA)
where:
Base-Base interactions energy: -135.297
where: short stacking energy: -81.372
Base-Backbone interact. energy: -0.916
local terms energy: -141.743995
where:
bonds (distance) C4'-P energy: -43.652
bonds (distance) P-C4' energy: -41.838
flat angles C4'-P-C4' energy: -42.668
flat angles P-C4'-P energy: -22.403
tors. eta vs tors. theta energy: 8.817
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: 423
Temperature: 0.900000
Total energy: -965.034033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.034033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.034033 (E_RNA)
where:
Base-Base interactions energy: -673.740
where: short stacking energy: -285.206
Base-Backbone interact. energy: -0.659
local terms energy: -290.634717
where:
bonds (distance) C4'-P energy: -50.867
bonds (distance) P-C4' energy: -49.975
flat angles C4'-P-C4' energy: -61.041
flat angles P-C4'-P energy: -36.608
tors. eta vs tors. theta energy: -92.145
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: 3
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -933.438831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.438831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.438831 (E_RNA)
where:
Base-Base interactions energy: -642.905
where: short stacking energy: -281.604
Base-Backbone interact. energy: -0.456
local terms energy: -290.077394
where:
bonds (distance) C4'-P energy: -52.578
bonds (distance) P-C4' energy: -57.196
flat angles C4'-P-C4' energy: -55.999
flat angles P-C4'-P energy: -38.269
tors. eta vs tors. theta energy: -86.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -882.596742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.596742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.596742 (E_RNA)
where:
Base-Base interactions energy: -611.173
where: short stacking energy: -272.171
Base-Backbone interact. energy: -0.776
local terms energy: -270.647784
where:
bonds (distance) C4'-P energy: -45.370
bonds (distance) P-C4' energy: -48.829
flat angles C4'-P-C4' energy: -56.418
flat angles P-C4'-P energy: -40.620
tors. eta vs tors. theta energy: -79.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -854.738825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.738825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.738825 (E_RNA)
where:
Base-Base interactions energy: -580.808
where: short stacking energy: -270.560
Base-Backbone interact. energy: -1.384
local terms energy: -272.547279
where:
bonds (distance) C4'-P energy: -38.990
bonds (distance) P-C4' energy: -54.401
flat angles C4'-P-C4' energy: -53.278
flat angles P-C4'-P energy: -44.750
tors. eta vs tors. theta energy: -81.130
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: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -823.214596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.214596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.214596 (E_RNA)
where:
Base-Base interactions energy: -556.814
where: short stacking energy: -251.341
Base-Backbone interact. energy: -0.435
local terms energy: -265.965766
where:
bonds (distance) C4'-P energy: -53.650
bonds (distance) P-C4' energy: -48.924
flat angles C4'-P-C4' energy: -60.820
flat angles P-C4'-P energy: -31.840
tors. eta vs tors. theta energy: -70.731
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: 6
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -800.601585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.601585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.601585 (E_RNA)
where:
Base-Base interactions energy: -541.435
where: short stacking energy: -237.903
Base-Backbone interact. energy: -0.382
local terms energy: -258.785249
where:
bonds (distance) C4'-P energy: -48.211
bonds (distance) P-C4' energy: -48.710
flat angles C4'-P-C4' energy: -55.758
flat angles P-C4'-P energy: -36.186
tors. eta vs tors. theta energy: -69.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -738.266155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.266155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.266155 (E_RNA)
where:
Base-Base interactions energy: -501.516
where: short stacking energy: -213.191
Base-Backbone interact. energy: -0.420
local terms energy: -236.329851
where:
bonds (distance) C4'-P energy: -41.133
bonds (distance) P-C4' energy: -57.113
flat angles C4'-P-C4' energy: -50.456
flat angles P-C4'-P energy: -28.694
tors. eta vs tors. theta energy: -58.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -644.534632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.534632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.534632 (E_RNA)
where:
Base-Base interactions energy: -433.304
where: short stacking energy: -185.305
Base-Backbone interact. energy: -0.154
local terms energy: -211.076410
where:
bonds (distance) C4'-P energy: -39.084
bonds (distance) P-C4' energy: -37.700
flat angles C4'-P-C4' energy: -44.903
flat angles P-C4'-P energy: -40.955
tors. eta vs tors. theta energy: -48.434
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: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -481.172847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.172847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.172847 (E_RNA)
where:
Base-Base interactions energy: -301.041
where: short stacking energy: -131.548
Base-Backbone interact. energy: -0.203
local terms energy: -179.929497
where:
bonds (distance) C4'-P energy: -51.147
bonds (distance) P-C4' energy: -42.334
flat angles C4'-P-C4' energy: -44.521
flat angles P-C4'-P energy: -22.752
tors. eta vs tors. theta energy: -19.176
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: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -250.309832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.309832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.309832 (E_RNA)
where:
Base-Base interactions energy: -121.240
where: short stacking energy: -78.651
Base-Backbone interact. energy: 1.900
local terms energy: -130.970039
where:
bonds (distance) C4'-P energy: -38.857
bonds (distance) P-C4' energy: -46.522
flat angles C4'-P-C4' energy: -39.500
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: 4.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -937.943007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.943007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.943007 (E_RNA)
where:
Base-Base interactions energy: -643.887
where: short stacking energy: -284.238
Base-Backbone interact. energy: -0.969
local terms energy: -293.086471
where:
bonds (distance) C4'-P energy: -47.104
bonds (distance) P-C4' energy: -51.963
flat angles C4'-P-C4' energy: -64.114
flat angles P-C4'-P energy: -41.896
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: 2, replica: 1
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -945.621389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.621389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.621389 (E_RNA)
where:
Base-Base interactions energy: -647.021
where: short stacking energy: -282.752
Base-Backbone interact. energy: -0.250
local terms energy: -298.349589
where:
bonds (distance) C4'-P energy: -51.651
bonds (distance) P-C4' energy: -52.346
flat angles C4'-P-C4' energy: -64.847
flat angles P-C4'-P energy: -36.433
tors. eta vs tors. theta energy: -93.071
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: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -873.929988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.929988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.929988 (E_RNA)
where:
Base-Base interactions energy: -604.100
where: short stacking energy: -249.444
Base-Backbone interact. energy: -0.517
local terms energy: -269.312533
where:
bonds (distance) C4'-P energy: -53.844
bonds (distance) P-C4' energy: -51.047
flat angles C4'-P-C4' energy: -60.341
flat angles P-C4'-P energy: -29.541
tors. eta vs tors. theta energy: -74.539
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: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -820.143215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.143215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.143215 (E_RNA)
where:
Base-Base interactions energy: -561.638
where: short stacking energy: -249.188
Base-Backbone interact. energy: -0.527
local terms energy: -257.979048
where:
bonds (distance) C4'-P energy: -46.873
bonds (distance) P-C4' energy: -50.646
flat angles C4'-P-C4' energy: -60.175
flat angles P-C4'-P energy: -29.195
tors. eta vs tors. theta energy: -71.090
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: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -772.940912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.940912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.940912 (E_RNA)
where:
Base-Base interactions energy: -522.466
where: short stacking energy: -243.519
Base-Backbone interact. energy: -1.511
local terms energy: -248.963455
where:
bonds (distance) C4'-P energy: -42.239
bonds (distance) P-C4' energy: -43.342
flat angles C4'-P-C4' energy: -52.619
flat angles P-C4'-P energy: -40.230
tors. eta vs tors. theta energy: -70.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -788.983843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.983843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.983843 (E_RNA)
where:
Base-Base interactions energy: -545.601
where: short stacking energy: -227.652
Base-Backbone interact. energy: -0.910
local terms energy: -242.472544
where:
bonds (distance) C4'-P energy: -42.750
bonds (distance) P-C4' energy: -47.549
flat angles C4'-P-C4' energy: -54.134
flat angles P-C4'-P energy: -37.201
tors. eta vs tors. theta energy: -60.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -752.656591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.656591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.656591 (E_RNA)
where:
Base-Base interactions energy: -524.247
where: short stacking energy: -213.045
Base-Backbone interact. energy: -0.392
local terms energy: -228.017116
where:
bonds (distance) C4'-P energy: -53.205
bonds (distance) P-C4' energy: -37.653
flat angles C4'-P-C4' energy: -41.293
flat angles P-C4'-P energy: -34.999
tors. eta vs tors. theta energy: -60.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -668.893385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.893385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.893385 (E_RNA)
where:
Base-Base interactions energy: -441.478
where: short stacking energy: -187.047
Base-Backbone interact. energy: -1.963
local terms energy: -225.452854
where:
bonds (distance) C4'-P energy: -47.331
bonds (distance) P-C4' energy: -46.185
flat angles C4'-P-C4' energy: -48.802
flat angles P-C4'-P energy: -33.884
tors. eta vs tors. theta energy: -49.250
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: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -456.595413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.595413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.595413 (E_RNA)
where:
Base-Base interactions energy: -296.844
where: short stacking energy: -143.221
Base-Backbone interact. energy: -0.563
local terms energy: -159.188907
where:
bonds (distance) C4'-P energy: -52.704
bonds (distance) P-C4' energy: -30.476
flat angles C4'-P-C4' energy: -32.805
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: -23.160
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: 424
Temperature: 1.350000
Total energy: -234.181658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.181658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.181658 (E_RNA)
where:
Base-Base interactions energy: -81.614
where: short stacking energy: -70.570
Base-Backbone interact. energy: 0.022
local terms energy: -152.589650
where:
bonds (distance) C4'-P energy: -48.432
bonds (distance) P-C4' energy: -43.542
flat angles C4'-P-C4' energy: -36.074
flat angles P-C4'-P energy: -28.710
tors. eta vs tors. theta energy: 4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -921.907057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.907057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.907057 (E_RNA)
where:
Base-Base interactions energy: -627.844
where: short stacking energy: -277.251
Base-Backbone interact. energy: -0.895
local terms energy: -293.167952
where:
bonds (distance) C4'-P energy: -49.902
bonds (distance) P-C4' energy: -58.060
flat angles C4'-P-C4' energy: -60.041
flat angles P-C4'-P energy: -39.127
tors. eta vs tors. theta energy: -86.039
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: 2, replica: 1
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -951.135188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.135188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.135188 (E_RNA)
where:
Base-Base interactions energy: -662.944
where: short stacking energy: -296.897
Base-Backbone interact. energy: -0.442
local terms energy: -287.748403
where:
bonds (distance) C4'-P energy: -49.862
bonds (distance) P-C4' energy: -59.595
flat angles C4'-P-C4' energy: -52.542
flat angles P-C4'-P energy: -39.561
tors. eta vs tors. theta energy: -86.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -844.345772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.345772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.345772 (E_RNA)
where:
Base-Base interactions energy: -578.658
where: short stacking energy: -236.650
Base-Backbone interact. energy: 0.803
local terms energy: -266.490177
where:
bonds (distance) C4'-P energy: -55.014
bonds (distance) P-C4' energy: -49.100
flat angles C4'-P-C4' energy: -52.596
flat angles P-C4'-P energy: -42.670
tors. eta vs tors. theta energy: -67.110
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: 4, replica: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -841.919797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.919797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.919797 (E_RNA)
where:
Base-Base interactions energy: -564.099
where: short stacking energy: -254.344
Base-Backbone interact. energy: -0.590
local terms energy: -277.230864
where:
bonds (distance) C4'-P energy: -51.923
bonds (distance) P-C4' energy: -53.060
flat angles C4'-P-C4' energy: -57.738
flat angles P-C4'-P energy: -43.531
tors. eta vs tors. theta energy: -70.979
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: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -777.220917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.220917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.220917 (E_RNA)
where:
Base-Base interactions energy: -517.588
where: short stacking energy: -235.970
Base-Backbone interact. energy: -0.416
local terms energy: -259.216639
where:
bonds (distance) C4'-P energy: -54.415
bonds (distance) P-C4' energy: -48.544
flat angles C4'-P-C4' energy: -53.652
flat angles P-C4'-P energy: -35.495
tors. eta vs tors. theta energy: -67.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -772.401540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.401540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.401540 (E_RNA)
where:
Base-Base interactions energy: -539.386
where: short stacking energy: -212.862
Base-Backbone interact. energy: 1.590
local terms energy: -234.605422
where:
bonds (distance) C4'-P energy: -45.056
bonds (distance) P-C4' energy: -42.425
flat angles C4'-P-C4' energy: -45.213
flat angles P-C4'-P energy: -35.777
tors. eta vs tors. theta energy: -66.135
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: 5
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -766.963360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.963360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.963360 (E_RNA)
where:
Base-Base interactions energy: -529.142
where: short stacking energy: -235.630
Base-Backbone interact. energy: -0.586
local terms energy: -237.235284
where:
bonds (distance) C4'-P energy: -45.401
bonds (distance) P-C4' energy: -46.497
flat angles C4'-P-C4' energy: -54.006
flat angles P-C4'-P energy: -28.282
tors. eta vs tors. theta energy: -63.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -614.458088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.458088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.458088 (E_RNA)
where:
Base-Base interactions energy: -406.278
where: short stacking energy: -172.181
Base-Backbone interact. energy: -0.028
local terms energy: -208.152727
where:
bonds (distance) C4'-P energy: -46.715
bonds (distance) P-C4' energy: -52.956
flat angles C4'-P-C4' energy: -46.909
flat angles P-C4'-P energy: -20.926
tors. eta vs tors. theta energy: -40.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -438.258603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.258603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.258603 (E_RNA)
where:
Base-Base interactions energy: -266.209
where: short stacking energy: -123.330
Base-Backbone interact. energy: -0.694
local terms energy: -171.355810
where:
bonds (distance) C4'-P energy: -42.593
bonds (distance) P-C4' energy: -45.355
flat angles C4'-P-C4' energy: -42.934
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: -21.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -240.652866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.652866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.652866 (E_RNA)
where:
Base-Base interactions energy: -101.717
where: short stacking energy: -57.756
Base-Backbone interact. energy: 2.178
local terms energy: -141.113422
where:
bonds (distance) C4'-P energy: -37.372
bonds (distance) P-C4' energy: -48.705
flat angles C4'-P-C4' energy: -35.705
flat angles P-C4'-P energy: -29.201
tors. eta vs tors. theta energy: 9.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -960.823656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.823656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.823656 (E_RNA)
where:
Base-Base interactions energy: -653.069
where: short stacking energy: -304.110
Base-Backbone interact. energy: -0.725
local terms energy: -307.029349
where:
bonds (distance) C4'-P energy: -55.207
bonds (distance) P-C4' energy: -54.299
flat angles C4'-P-C4' energy: -61.455
flat angles P-C4'-P energy: -43.978
tors. eta vs tors. theta energy: -92.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -918.106287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.106287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.106287 (E_RNA)
where:
Base-Base interactions energy: -623.995
where: short stacking energy: -275.078
Base-Backbone interact. energy: -0.907
local terms energy: -293.204285
where:
bonds (distance) C4'-P energy: -53.342
bonds (distance) P-C4' energy: -47.594
flat angles C4'-P-C4' energy: -58.733
flat angles P-C4'-P energy: -48.023
tors. eta vs tors. theta energy: -85.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -872.775479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.775479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.775479 (E_RNA)
where:
Base-Base interactions energy: -608.346
where: short stacking energy: -241.183
Base-Backbone interact. energy: 2.540
local terms energy: -266.969077
where:
bonds (distance) C4'-P energy: -52.823
bonds (distance) P-C4' energy: -49.379
flat angles C4'-P-C4' energy: -52.822
flat angles P-C4'-P energy: -33.178
tors. eta vs tors. theta energy: -78.768
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: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -826.729213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.729213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.729213 (E_RNA)
where:
Base-Base interactions energy: -548.025
where: short stacking energy: -244.723
Base-Backbone interact. energy: 0.000
local terms energy: -278.704850
where:
bonds (distance) C4'-P energy: -49.728
bonds (distance) P-C4' energy: -57.273
flat angles C4'-P-C4' energy: -62.603
flat angles P-C4'-P energy: -33.761
tors. eta vs tors. theta energy: -75.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -775.127523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.127523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.127523 (E_RNA)
where:
Base-Base interactions energy: -524.139
where: short stacking energy: -217.650
Base-Backbone interact. energy: 4.073
local terms energy: -255.060705
where:
bonds (distance) C4'-P energy: -51.736
bonds (distance) P-C4' energy: -53.075
flat angles C4'-P-C4' energy: -52.932
flat angles P-C4'-P energy: -33.997
tors. eta vs tors. theta energy: -63.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -746.678719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.678719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.678719 (E_RNA)
where:
Base-Base interactions energy: -500.268
where: short stacking energy: -210.731
Base-Backbone interact. energy: -1.191
local terms energy: -245.220571
where:
bonds (distance) C4'-P energy: -47.139
bonds (distance) P-C4' energy: -52.704
flat angles C4'-P-C4' energy: -51.942
flat angles P-C4'-P energy: -30.779
tors. eta vs tors. theta energy: -62.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -785.345676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.345676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.345676 (E_RNA)
where:
Base-Base interactions energy: -548.238
where: short stacking energy: -237.966
Base-Backbone interact. energy: 3.735
local terms energy: -240.842348
where:
bonds (distance) C4'-P energy: -43.631
bonds (distance) P-C4' energy: -49.007
flat angles C4'-P-C4' energy: -49.654
flat angles P-C4'-P energy: -32.889
tors. eta vs tors. theta energy: -65.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -628.735876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.735876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.735876 (E_RNA)
where:
Base-Base interactions energy: -408.115
where: short stacking energy: -161.655
Base-Backbone interact. energy: 3.317
local terms energy: -223.937361
where:
bonds (distance) C4'-P energy: -42.167
bonds (distance) P-C4' energy: -51.293
flat angles C4'-P-C4' energy: -56.080
flat angles P-C4'-P energy: -33.097
tors. eta vs tors. theta energy: -41.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -471.132422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.132422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.132422 (E_RNA)
where:
Base-Base interactions energy: -287.215
where: short stacking energy: -134.973
Base-Backbone interact. energy: -0.343
local terms energy: -183.574737
where:
bonds (distance) C4'-P energy: -32.079
bonds (distance) P-C4' energy: -47.133
flat angles C4'-P-C4' energy: -42.868
flat angles P-C4'-P energy: -28.064
tors. eta vs tors. theta energy: -33.431
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: 426
Temperature: 1.350000
Total energy: -246.512525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.512525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.512525 (E_RNA)
where:
Base-Base interactions energy: -106.793
where: short stacking energy: -71.887
Base-Backbone interact. energy: -2.327
local terms energy: -137.392209
where:
bonds (distance) C4'-P energy: -41.123
bonds (distance) P-C4' energy: -48.139
flat angles C4'-P-C4' energy: -38.474
flat angles P-C4'-P energy: -19.490
tors. eta vs tors. theta energy: 9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -953.966353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.966353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.966353 (E_RNA)
where:
Base-Base interactions energy: -669.454
where: short stacking energy: -294.539
Base-Backbone interact. energy: -0.728
local terms energy: -283.784466
where:
bonds (distance) C4'-P energy: -52.726
bonds (distance) P-C4' energy: -45.802
flat angles C4'-P-C4' energy: -60.086
flat angles P-C4'-P energy: -36.280
tors. eta vs tors. theta energy: -88.890
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: 427
Temperature: 0.950000
Total energy: -919.853021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.853021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.853021 (E_RNA)
where:
Base-Base interactions energy: -626.307
where: short stacking energy: -278.975
Base-Backbone interact. energy: -0.405
local terms energy: -293.140685
where:
bonds (distance) C4'-P energy: -50.455
bonds (distance) P-C4' energy: -49.751
flat angles C4'-P-C4' energy: -59.565
flat angles P-C4'-P energy: -43.774
tors. eta vs tors. theta energy: -89.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -856.486225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.486225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.486225 (E_RNA)
where:
Base-Base interactions energy: -594.211
where: short stacking energy: -255.240
Base-Backbone interact. energy: 0.678
local terms energy: -262.953588
where:
bonds (distance) C4'-P energy: -52.826
bonds (distance) P-C4' energy: -47.674
flat angles C4'-P-C4' energy: -55.570
flat angles P-C4'-P energy: -38.459
tors. eta vs tors. theta energy: -68.424
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: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -827.592441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.592441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.592441 (E_RNA)
where:
Base-Base interactions energy: -576.412
where: short stacking energy: -240.427
Base-Backbone interact. energy: -0.684
local terms energy: -250.496128
where:
bonds (distance) C4'-P energy: -43.057
bonds (distance) P-C4' energy: -54.049
flat angles C4'-P-C4' energy: -54.272
flat angles P-C4'-P energy: -36.463
tors. eta vs tors. theta energy: -62.655
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: 8
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -767.623776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.623776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.623776 (E_RNA)
where:
Base-Base interactions energy: -540.744
where: short stacking energy: -222.181
Base-Backbone interact. energy: -0.179
local terms energy: -226.701107
where:
bonds (distance) C4'-P energy: -43.192
bonds (distance) P-C4' energy: -46.990
flat angles C4'-P-C4' energy: -51.887
flat angles P-C4'-P energy: -26.475
tors. eta vs tors. theta energy: -58.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -817.294911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.294911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.294911 (E_RNA)
where:
Base-Base interactions energy: -576.942
where: short stacking energy: -246.000
Base-Backbone interact. energy: -2.064
local terms energy: -238.288805
where:
bonds (distance) C4'-P energy: -45.583
bonds (distance) P-C4' energy: -39.677
flat angles C4'-P-C4' energy: -57.470
flat angles P-C4'-P energy: -27.021
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: 7, replica: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -716.939345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.939345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.939345 (E_RNA)
where:
Base-Base interactions energy: -477.464
where: short stacking energy: -206.884
Base-Backbone interact. energy: 0.224
local terms energy: -239.699701
where:
bonds (distance) C4'-P energy: -45.501
bonds (distance) P-C4' energy: -48.603
flat angles C4'-P-C4' energy: -55.187
flat angles P-C4'-P energy: -31.807
tors. eta vs tors. theta energy: -58.603
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: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -642.077190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.077190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.077190 (E_RNA)
where:
Base-Base interactions energy: -419.033
where: short stacking energy: -175.038
Base-Backbone interact. energy: 1.356
local terms energy: -224.400383
where:
bonds (distance) C4'-P energy: -48.049
bonds (distance) P-C4' energy: -42.905
flat angles C4'-P-C4' energy: -48.209
flat angles P-C4'-P energy: -31.785
tors. eta vs tors. theta energy: -53.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -554.175452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.175452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.175452 (E_RNA)
where:
Base-Base interactions energy: -379.221
where: short stacking energy: -149.589
Base-Backbone interact. energy: 0.001
local terms energy: -174.955495
where:
bonds (distance) C4'-P energy: -43.875
bonds (distance) P-C4' energy: -47.942
flat angles C4'-P-C4' energy: -33.566
flat angles P-C4'-P energy: -21.677
tors. eta vs tors. theta energy: -27.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -222.590460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.590460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.590460 (E_RNA)
where:
Base-Base interactions energy: -79.779
where: short stacking energy: -74.759
Base-Backbone interact. energy: 0.485
local terms energy: -143.296301
where:
bonds (distance) C4'-P energy: -40.139
bonds (distance) P-C4' energy: -44.871
flat angles C4'-P-C4' energy: -39.886
flat angles P-C4'-P energy: -18.195
tors. eta vs tors. theta energy: -0.205
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: 428
Temperature: 0.900000
Total energy: -932.923885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.923885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.923885 (E_RNA)
where:
Base-Base interactions energy: -647.685
where: short stacking energy: -289.037
Base-Backbone interact. energy: -0.751
local terms energy: -284.487291
where:
bonds (distance) C4'-P energy: -44.633
bonds (distance) P-C4' energy: -53.888
flat angles C4'-P-C4' energy: -56.561
flat angles P-C4'-P energy: -42.901
tors. eta vs tors. theta energy: -86.504
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: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -927.714742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.714742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.714742 (E_RNA)
where:
Base-Base interactions energy: -644.956
where: short stacking energy: -289.340
Base-Backbone interact. energy: -2.216
local terms energy: -280.542193
where:
bonds (distance) C4'-P energy: -48.620
bonds (distance) P-C4' energy: -43.731
flat angles C4'-P-C4' energy: -58.971
flat angles P-C4'-P energy: -35.031
tors. eta vs tors. theta energy: -94.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -882.056562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.056562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.056562 (E_RNA)
where:
Base-Base interactions energy: -611.167
where: short stacking energy: -257.905
Base-Backbone interact. energy: 1.114
local terms energy: -272.002769
where:
bonds (distance) C4'-P energy: -45.552
bonds (distance) P-C4' energy: -51.532
flat angles C4'-P-C4' energy: -59.789
flat angles P-C4'-P energy: -34.541
tors. eta vs tors. theta energy: -80.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -837.047698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.047698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.047698 (E_RNA)
where:
Base-Base interactions energy: -580.747
where: short stacking energy: -251.277
Base-Backbone interact. energy: -0.357
local terms energy: -255.943295
where:
bonds (distance) C4'-P energy: -43.684
bonds (distance) P-C4' energy: -52.710
flat angles C4'-P-C4' energy: -50.544
flat angles P-C4'-P energy: -38.534
tors. eta vs tors. theta energy: -70.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -814.077464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.077464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.077464 (E_RNA)
where:
Base-Base interactions energy: -560.939
where: short stacking energy: -240.272
Base-Backbone interact. energy: -1.376
local terms energy: -251.762678
where:
bonds (distance) C4'-P energy: -44.680
bonds (distance) P-C4' energy: -50.590
flat angles C4'-P-C4' energy: -56.796
flat angles P-C4'-P energy: -33.575
tors. eta vs tors. theta energy: -66.123
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: 6, replica: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -798.392845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.392845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.392845 (E_RNA)
where:
Base-Base interactions energy: -543.764
where: short stacking energy: -231.696
Base-Backbone interact. energy: -1.972
local terms energy: -252.656595
where:
bonds (distance) C4'-P energy: -42.556
bonds (distance) P-C4' energy: -45.778
flat angles C4'-P-C4' energy: -51.367
flat angles P-C4'-P energy: -41.638
tors. eta vs tors. theta energy: -71.318
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: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -707.504235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.504235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.504235 (E_RNA)
where:
Base-Base interactions energy: -475.543
where: short stacking energy: -195.774
Base-Backbone interact. energy: -0.423
local terms energy: -231.538445
where:
bonds (distance) C4'-P energy: -34.646
bonds (distance) P-C4' energy: -57.571
flat angles C4'-P-C4' energy: -48.613
flat angles P-C4'-P energy: -31.503
tors. eta vs tors. theta energy: -59.205
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: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -617.841943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.841943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.841943 (E_RNA)
where:
Base-Base interactions energy: -411.603
where: short stacking energy: -177.689
Base-Backbone interact. energy: 1.191
local terms energy: -207.429627
where:
bonds (distance) C4'-P energy: -47.370
bonds (distance) P-C4' energy: -41.415
flat angles C4'-P-C4' energy: -36.484
flat angles P-C4'-P energy: -33.227
tors. eta vs tors. theta energy: -48.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -541.801777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.801777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.801777 (E_RNA)
where:
Base-Base interactions energy: -356.787
where: short stacking energy: -149.765
Base-Backbone interact. energy: -1.483
local terms energy: -183.532061
where:
bonds (distance) C4'-P energy: -33.526
bonds (distance) P-C4' energy: -55.959
flat angles C4'-P-C4' energy: -35.600
flat angles P-C4'-P energy: -31.214
tors. eta vs tors. theta energy: -27.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -244.640453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.640453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.640453 (E_RNA)
where:
Base-Base interactions energy: -93.178
where: short stacking energy: -80.710
Base-Backbone interact. energy: 3.166
local terms energy: -154.628864
where:
bonds (distance) C4'-P energy: -44.328
bonds (distance) P-C4' energy: -44.358
flat angles C4'-P-C4' energy: -30.276
flat angles P-C4'-P energy: -28.330
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -945.310478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.310478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.310478 (E_RNA)
where:
Base-Base interactions energy: -654.018
where: short stacking energy: -278.856
Base-Backbone interact. energy: -2.010
local terms energy: -289.282379
where:
bonds (distance) C4'-P energy: -45.276
bonds (distance) P-C4' energy: -51.451
flat angles C4'-P-C4' energy: -64.629
flat angles P-C4'-P energy: -42.658
tors. eta vs tors. theta energy: -85.269
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: 429
Temperature: 0.950000
Total energy: -966.702097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.702097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.702097 (E_RNA)
where:
Base-Base interactions energy: -671.215
where: short stacking energy: -293.852
Base-Backbone interact. energy: -2.606
local terms energy: -292.880781
where:
bonds (distance) C4'-P energy: -51.694
bonds (distance) P-C4' energy: -50.575
flat angles C4'-P-C4' energy: -63.013
flat angles P-C4'-P energy: -45.373
tors. eta vs tors. theta energy: -82.226
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: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -866.430273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.430273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.430273 (E_RNA)
where:
Base-Base interactions energy: -607.402
where: short stacking energy: -264.990
Base-Backbone interact. energy: 3.490
local terms energy: -262.518118
where:
bonds (distance) C4'-P energy: -47.110
bonds (distance) P-C4' energy: -41.351
flat angles C4'-P-C4' energy: -63.609
flat angles P-C4'-P energy: -37.085
tors. eta vs tors. theta energy: -73.362
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: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -859.400914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.400914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.400914 (E_RNA)
where:
Base-Base interactions energy: -590.927
where: short stacking energy: -261.851
Base-Backbone interact. energy: 0.248
local terms energy: -268.721790
where:
bonds (distance) C4'-P energy: -45.779
bonds (distance) P-C4' energy: -48.432
flat angles C4'-P-C4' energy: -59.246
flat angles P-C4'-P energy: -40.878
tors. eta vs tors. theta energy: -74.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -800.765542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.765542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.765542 (E_RNA)
where:
Base-Base interactions energy: -547.507
where: short stacking energy: -231.652
Base-Backbone interact. energy: -0.320
local terms energy: -252.938833
where:
bonds (distance) C4'-P energy: -51.637
bonds (distance) P-C4' energy: -47.955
flat angles C4'-P-C4' energy: -51.268
flat angles P-C4'-P energy: -34.017
tors. eta vs tors. theta energy: -68.062
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: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -769.073049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.073049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.073049 (E_RNA)
where:
Base-Base interactions energy: -526.786
where: short stacking energy: -209.528
Base-Backbone interact. energy: -0.455
local terms energy: -241.831935
where:
bonds (distance) C4'-P energy: -47.242
bonds (distance) P-C4' energy: -42.932
flat angles C4'-P-C4' energy: -53.675
flat angles P-C4'-P energy: -40.781
tors. eta vs tors. theta energy: -57.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -738.860887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.860887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.860887 (E_RNA)
where:
Base-Base interactions energy: -514.159
where: short stacking energy: -201.365
Base-Backbone interact. energy: 6.275
local terms energy: -230.976380
where:
bonds (distance) C4'-P energy: -43.886
bonds (distance) P-C4' energy: -46.599
flat angles C4'-P-C4' energy: -47.864
flat angles P-C4'-P energy: -40.777
tors. eta vs tors. theta energy: -51.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -624.914737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.914737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.914737 (E_RNA)
where:
Base-Base interactions energy: -414.410
where: short stacking energy: -170.437
Base-Backbone interact. energy: 3.087
local terms energy: -213.591308
where:
bonds (distance) C4'-P energy: -48.041
bonds (distance) P-C4' energy: -50.727
flat angles C4'-P-C4' energy: -46.093
flat angles P-C4'-P energy: -29.767
tors. eta vs tors. theta energy: -38.963
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: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -574.038763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.038763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.038763 (E_RNA)
where:
Base-Base interactions energy: -385.845
where: short stacking energy: -165.588
Base-Backbone interact. energy: -1.120
local terms energy: -187.074280
where:
bonds (distance) C4'-P energy: -32.242
bonds (distance) P-C4' energy: -34.827
flat angles C4'-P-C4' energy: -45.597
flat angles P-C4'-P energy: -38.218
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: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -225.751279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.751279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.751279 (E_RNA)
where:
Base-Base interactions energy: -71.781
where: short stacking energy: -63.549
Base-Backbone interact. energy: 0.150
local terms energy: -154.120240
where:
bonds (distance) C4'-P energy: -48.581
bonds (distance) P-C4' energy: -53.128
flat angles C4'-P-C4' energy: -45.075
flat angles P-C4'-P energy: -18.995
tors. eta vs tors. theta energy: 11.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -944.598013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.598013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.598013 (E_RNA)
where:
Base-Base interactions energy: -655.454
where: short stacking energy: -275.692
Base-Backbone interact. energy: -0.882
local terms energy: -288.261869
where:
bonds (distance) C4'-P energy: -50.154
bonds (distance) P-C4' energy: -50.011
flat angles C4'-P-C4' energy: -59.581
flat angles P-C4'-P energy: -42.848
tors. eta vs tors. theta energy: -85.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -943.757282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.757282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.757282 (E_RNA)
where:
Base-Base interactions energy: -655.081
where: short stacking energy: -282.990
Base-Backbone interact. energy: -0.310
local terms energy: -288.365744
where:
bonds (distance) C4'-P energy: -47.830
bonds (distance) P-C4' energy: -53.729
flat angles C4'-P-C4' energy: -59.898
flat angles P-C4'-P energy: -38.613
tors. eta vs tors. theta energy: -88.296
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: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -864.645249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.645249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.645249 (E_RNA)
where:
Base-Base interactions energy: -601.639
where: short stacking energy: -245.002
Base-Backbone interact. energy: 1.705
local terms energy: -264.711383
where:
bonds (distance) C4'-P energy: -45.977
bonds (distance) P-C4' energy: -48.392
flat angles C4'-P-C4' energy: -57.310
flat angles P-C4'-P energy: -39.729
tors. eta vs tors. theta energy: -73.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -869.558748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.558748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.558748 (E_RNA)
where:
Base-Base interactions energy: -582.941
where: short stacking energy: -254.206
Base-Backbone interact. energy: -0.420
local terms energy: -286.197754
where:
bonds (distance) C4'-P energy: -54.189
bonds (distance) P-C4' energy: -51.682
flat angles C4'-P-C4' energy: -57.534
flat angles P-C4'-P energy: -46.541
tors. eta vs tors. theta energy: -76.252
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: 2
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -807.084187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.084187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.084187 (E_RNA)
where:
Base-Base interactions energy: -557.303
where: short stacking energy: -249.918
Base-Backbone interact. energy: -0.736
local terms energy: -249.046027
where:
bonds (distance) C4'-P energy: -43.778
bonds (distance) P-C4' energy: -42.293
flat angles C4'-P-C4' energy: -49.743
flat angles P-C4'-P energy: -38.991
tors. eta vs tors. theta energy: -74.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -773.331327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.331327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.331327 (E_RNA)
where:
Base-Base interactions energy: -534.268
where: short stacking energy: -206.333
Base-Backbone interact. energy: -1.181
local terms energy: -237.882452
where:
bonds (distance) C4'-P energy: -37.545
bonds (distance) P-C4' energy: -48.822
flat angles C4'-P-C4' energy: -53.821
flat angles P-C4'-P energy: -37.900
tors. eta vs tors. theta energy: -59.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -731.199314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.199314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.199314 (E_RNA)
where:
Base-Base interactions energy: -500.659
where: short stacking energy: -198.398
Base-Backbone interact. energy: 0.799
local terms energy: -231.339145
where:
bonds (distance) C4'-P energy: -50.720
bonds (distance) P-C4' energy: -46.338
flat angles C4'-P-C4' energy: -53.584
flat angles P-C4'-P energy: -24.293
tors. eta vs tors. theta energy: -56.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -630.013330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.013330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.013330 (E_RNA)
where:
Base-Base interactions energy: -418.254
where: short stacking energy: -171.909
Base-Backbone interact. energy: -1.646
local terms energy: -210.114038
where:
bonds (distance) C4'-P energy: -39.047
bonds (distance) P-C4' energy: -53.379
flat angles C4'-P-C4' energy: -45.948
flat angles P-C4'-P energy: -33.624
tors. eta vs tors. theta energy: -38.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -569.833932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.833932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.833932 (E_RNA)
where:
Base-Base interactions energy: -375.017
where: short stacking energy: -158.523
Base-Backbone interact. energy: 0.150
local terms energy: -194.966133
where:
bonds (distance) C4'-P energy: -39.479
bonds (distance) P-C4' energy: -34.730
flat angles C4'-P-C4' energy: -49.181
flat angles P-C4'-P energy: -31.161
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: 10, replica: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -227.583357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.583357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.583357 (E_RNA)
where:
Base-Base interactions energy: -69.162
where: short stacking energy: -69.162
Base-Backbone interact. energy: 1.124
local terms energy: -159.545446
where:
bonds (distance) C4'-P energy: -40.756
bonds (distance) P-C4' energy: -48.845
flat angles C4'-P-C4' energy: -42.028
flat angles P-C4'-P energy: -27.928
tors. eta vs tors. theta energy: 0.011
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: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -942.917058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.917058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.917058 (E_RNA)
where:
Base-Base interactions energy: -653.721
where: short stacking energy: -283.981
Base-Backbone interact. energy: -0.652
local terms energy: -288.543851
where:
bonds (distance) C4'-P energy: -45.368
bonds (distance) P-C4' energy: -52.614
flat angles C4'-P-C4' energy: -59.414
flat angles P-C4'-P energy: -39.073
tors. eta vs tors. theta energy: -92.075
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: 431
Temperature: 0.950000
Total energy: -942.315680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.315680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.315680 (E_RNA)
where:
Base-Base interactions energy: -659.252
where: short stacking energy: -270.578
Base-Backbone interact. energy: -1.963
local terms energy: -281.100540
where:
bonds (distance) C4'-P energy: -41.888
bonds (distance) P-C4' energy: -49.077
flat angles C4'-P-C4' energy: -62.350
flat angles P-C4'-P energy: -42.413
tors. eta vs tors. theta energy: -85.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -843.653537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.653537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.653537 (E_RNA)
where:
Base-Base interactions energy: -584.485
where: short stacking energy: -256.381
Base-Backbone interact. energy: 1.042
local terms energy: -260.210445
where:
bonds (distance) C4'-P energy: -53.814
bonds (distance) P-C4' energy: -46.660
flat angles C4'-P-C4' energy: -53.631
flat angles P-C4'-P energy: -33.643
tors. eta vs tors. theta energy: -72.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -855.496614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.496614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.496614 (E_RNA)
where:
Base-Base interactions energy: -585.084
where: short stacking energy: -262.833
Base-Backbone interact. energy: -0.493
local terms energy: -269.919325
where:
bonds (distance) C4'-P energy: -44.609
bonds (distance) P-C4' energy: -44.999
flat angles C4'-P-C4' energy: -57.273
flat angles P-C4'-P energy: -43.142
tors. eta vs tors. theta energy: -79.897
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: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -798.949943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.949943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.949943 (E_RNA)
where:
Base-Base interactions energy: -535.654
where: short stacking energy: -224.048
Base-Backbone interact. energy: -0.706
local terms energy: -262.590068
where:
bonds (distance) C4'-P energy: -48.978
bonds (distance) P-C4' energy: -48.479
flat angles C4'-P-C4' energy: -62.076
flat angles P-C4'-P energy: -35.689
tors. eta vs tors. theta energy: -67.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -766.005012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.005012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.005012 (E_RNA)
where:
Base-Base interactions energy: -523.439
where: short stacking energy: -202.345
Base-Backbone interact. energy: 2.360
local terms energy: -244.926593
where:
bonds (distance) C4'-P energy: -38.896
bonds (distance) P-C4' energy: -50.539
flat angles C4'-P-C4' energy: -58.938
flat angles P-C4'-P energy: -35.600
tors. eta vs tors. theta energy: -60.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -717.370894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.370894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.370894 (E_RNA)
where:
Base-Base interactions energy: -484.429
where: short stacking energy: -216.610
Base-Backbone interact. energy: 0.407
local terms energy: -233.349332
where:
bonds (distance) C4'-P energy: -34.428
bonds (distance) P-C4' energy: -47.950
flat angles C4'-P-C4' energy: -53.681
flat angles P-C4'-P energy: -31.960
tors. eta vs tors. theta energy: -65.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -644.538764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.538764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.538764 (E_RNA)
where:
Base-Base interactions energy: -439.187
where: short stacking energy: -183.649
Base-Backbone interact. energy: 1.595
local terms energy: -206.946702
where:
bonds (distance) C4'-P energy: -43.846
bonds (distance) P-C4' energy: -44.127
flat angles C4'-P-C4' energy: -49.841
flat angles P-C4'-P energy: -30.058
tors. eta vs tors. theta energy: -39.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -508.235455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.235455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.235455 (E_RNA)
where:
Base-Base interactions energy: -331.254
where: short stacking energy: -150.341
Base-Backbone interact. energy: -0.952
local terms energy: -176.029336
where:
bonds (distance) C4'-P energy: -36.956
bonds (distance) P-C4' energy: -45.294
flat angles C4'-P-C4' energy: -43.665
flat angles P-C4'-P energy: -19.459
tors. eta vs tors. theta energy: -30.657
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: 431
Temperature: 1.350000
Total energy: -269.881028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.881028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.881028 (E_RNA)
where:
Base-Base interactions energy: -116.564
where: short stacking energy: -85.805
Base-Backbone interact. energy: -1.795
local terms energy: -151.522139
where:
bonds (distance) C4'-P energy: -35.351
bonds (distance) P-C4' energy: -50.998
flat angles C4'-P-C4' energy: -42.132
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -10.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -955.859936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.859936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.859936 (E_RNA)
where:
Base-Base interactions energy: -660.383
where: short stacking energy: -283.468
Base-Backbone interact. energy: -0.282
local terms energy: -295.194869
where:
bonds (distance) C4'-P energy: -54.348
bonds (distance) P-C4' energy: -52.732
flat angles C4'-P-C4' energy: -65.160
flat angles P-C4'-P energy: -44.324
tors. eta vs tors. theta energy: -78.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -945.802087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.802087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.802087 (E_RNA)
where:
Base-Base interactions energy: -665.095
where: short stacking energy: -292.505
Base-Backbone interact. energy: 4.500
local terms energy: -285.206873
where:
bonds (distance) C4'-P energy: -55.757
bonds (distance) P-C4' energy: -58.424
flat angles C4'-P-C4' energy: -54.547
flat angles P-C4'-P energy: -33.926
tors. eta vs tors. theta energy: -82.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -863.562900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.562900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.562900 (E_RNA)
where:
Base-Base interactions energy: -575.940
where: short stacking energy: -254.691
Base-Backbone interact. energy: -0.703
local terms energy: -286.920365
where:
bonds (distance) C4'-P energy: -51.044
bonds (distance) P-C4' energy: -56.911
flat angles C4'-P-C4' energy: -59.922
flat angles P-C4'-P energy: -39.774
tors. eta vs tors. theta energy: -79.270
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: 4, replica: 9
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -857.875602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.875602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.875602 (E_RNA)
where:
Base-Base interactions energy: -590.183
where: short stacking energy: -234.200
Base-Backbone interact. energy: -1.287
local terms energy: -266.405058
where:
bonds (distance) C4'-P energy: -47.417
bonds (distance) P-C4' energy: -56.217
flat angles C4'-P-C4' energy: -57.451
flat angles P-C4'-P energy: -39.998
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: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -834.950038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.950038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.950038 (E_RNA)
where:
Base-Base interactions energy: -570.970
where: short stacking energy: -249.012
Base-Backbone interact. energy: -1.077
local terms energy: -262.903076
where:
bonds (distance) C4'-P energy: -53.706
bonds (distance) P-C4' energy: -37.863
flat angles C4'-P-C4' energy: -61.349
flat angles P-C4'-P energy: -39.834
tors. eta vs tors. theta energy: -70.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -746.709039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.709039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.709039 (E_RNA)
where:
Base-Base interactions energy: -509.030
where: short stacking energy: -224.039
Base-Backbone interact. energy: -1.177
local terms energy: -236.502300
where:
bonds (distance) C4'-P energy: -46.126
bonds (distance) P-C4' energy: -50.067
flat angles C4'-P-C4' energy: -47.171
flat angles P-C4'-P energy: -32.610
tors. eta vs tors. theta energy: -60.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -670.957576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.957576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.957576 (E_RNA)
where:
Base-Base interactions energy: -452.251
where: short stacking energy: -191.431
Base-Backbone interact. energy: -0.794
local terms energy: -217.912076
where:
bonds (distance) C4'-P energy: -48.022
bonds (distance) P-C4' energy: -49.372
flat angles C4'-P-C4' energy: -50.131
flat angles P-C4'-P energy: -24.436
tors. eta vs tors. theta energy: -45.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -737.849435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.849435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.849435 (E_RNA)
where:
Base-Base interactions energy: -502.909
where: short stacking energy: -205.945
Base-Backbone interact. energy: 1.801
local terms energy: -236.741140
where:
bonds (distance) C4'-P energy: -44.758
bonds (distance) P-C4' energy: -39.625
flat angles C4'-P-C4' energy: -57.040
flat angles P-C4'-P energy: -39.998
tors. eta vs tors. theta energy: -55.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -591.883785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.883785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.883785 (E_RNA)
where:
Base-Base interactions energy: -392.691
where: short stacking energy: -145.484
Base-Backbone interact. energy: 1.076
local terms energy: -200.269203
where:
bonds (distance) C4'-P energy: -45.816
bonds (distance) P-C4' energy: -53.755
flat angles C4'-P-C4' energy: -35.054
flat angles P-C4'-P energy: -29.439
tors. eta vs tors. theta energy: -36.206
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: 432
Temperature: 1.350000
Total energy: -216.437266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.437266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.437266 (E_RNA)
where:
Base-Base interactions energy: -81.191
where: short stacking energy: -75.471
Base-Backbone interact. energy: 1.361
local terms energy: -136.607272
where:
bonds (distance) C4'-P energy: -33.413
bonds (distance) P-C4' energy: -43.213
flat angles C4'-P-C4' energy: -34.602
flat angles P-C4'-P energy: -33.537
tors. eta vs tors. theta energy: 8.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -963.040783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.040783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.040783 (E_RNA)
where:
Base-Base interactions energy: -666.009
where: short stacking energy: -292.649
Base-Backbone interact. energy: -0.760
local terms energy: -296.272033
where:
bonds (distance) C4'-P energy: -53.229
bonds (distance) P-C4' energy: -48.541
flat angles C4'-P-C4' energy: -59.259
flat angles P-C4'-P energy: -48.379
tors. eta vs tors. theta energy: -86.864
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: 433
Temperature: 0.950000
Total energy: -942.182696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.182696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.182696 (E_RNA)
where:
Base-Base interactions energy: -662.671
where: short stacking energy: -285.649
Base-Backbone interact. energy: -0.829
local terms energy: -278.682246
where:
bonds (distance) C4'-P energy: -54.421
bonds (distance) P-C4' energy: -47.709
flat angles C4'-P-C4' energy: -55.019
flat angles P-C4'-P energy: -36.357
tors. eta vs tors. theta energy: -85.176
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: 5
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -853.769594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.769594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.769594 (E_RNA)
where:
Base-Base interactions energy: -571.825
where: short stacking energy: -252.202
Base-Backbone interact. energy: 1.946
local terms energy: -283.890637
where:
bonds (distance) C4'-P energy: -53.132
bonds (distance) P-C4' energy: -53.787
flat angles C4'-P-C4' energy: -59.108
flat angles P-C4'-P energy: -42.382
tors. eta vs tors. theta energy: -75.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -858.509794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.509794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.509794 (E_RNA)
where:
Base-Base interactions energy: -598.778
where: short stacking energy: -258.256
Base-Backbone interact. energy: -0.613
local terms energy: -259.118616
where:
bonds (distance) C4'-P energy: -52.199
bonds (distance) P-C4' energy: -45.820
flat angles C4'-P-C4' energy: -55.534
flat angles P-C4'-P energy: -27.674
tors. eta vs tors. theta energy: -77.891
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: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -811.510406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.510406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.510406 (E_RNA)
where:
Base-Base interactions energy: -547.124
where: short stacking energy: -253.871
Base-Backbone interact. energy: -0.119
local terms energy: -264.267321
where:
bonds (distance) C4'-P energy: -51.285
bonds (distance) P-C4' energy: -37.224
flat angles C4'-P-C4' energy: -55.172
flat angles P-C4'-P energy: -44.019
tors. eta vs tors. theta energy: -76.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -747.606084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.606084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.606084 (E_RNA)
where:
Base-Base interactions energy: -496.138
where: short stacking energy: -206.057
Base-Backbone interact. energy: -0.687
local terms energy: -250.780140
where:
bonds (distance) C4'-P energy: -60.191
bonds (distance) P-C4' energy: -46.510
flat angles C4'-P-C4' energy: -52.597
flat angles P-C4'-P energy: -35.313
tors. eta vs tors. theta energy: -56.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -655.389589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.389589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.389589 (E_RNA)
where:
Base-Base interactions energy: -445.942
where: short stacking energy: -195.282
Base-Backbone interact. energy: 0.144
local terms energy: -209.590892
where:
bonds (distance) C4'-P energy: -34.560
bonds (distance) P-C4' energy: -46.843
flat angles C4'-P-C4' energy: -43.320
flat angles P-C4'-P energy: -31.606
tors. eta vs tors. theta energy: -53.261
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: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -740.638353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.638353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.638353 (E_RNA)
where:
Base-Base interactions energy: -507.049
where: short stacking energy: -221.945
Base-Backbone interact. energy: -0.182
local terms energy: -233.406982
where:
bonds (distance) C4'-P energy: -33.334
bonds (distance) P-C4' energy: -50.833
flat angles C4'-P-C4' energy: -45.809
flat angles P-C4'-P energy: -41.105
tors. eta vs tors. theta energy: -62.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -564.540158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.540158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.540158 (E_RNA)
where:
Base-Base interactions energy: -382.385
where: short stacking energy: -155.890
Base-Backbone interact. energy: 0.533
local terms energy: -182.687760
where:
bonds (distance) C4'-P energy: -39.960
bonds (distance) P-C4' energy: -50.660
flat angles C4'-P-C4' energy: -42.409
flat angles P-C4'-P energy: -18.662
tors. eta vs tors. theta energy: -30.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -226.212635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.212635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.212635 (E_RNA)
where:
Base-Base interactions energy: -83.593
where: short stacking energy: -65.318
Base-Backbone interact. energy: -0.270
local terms energy: -142.349305
where:
bonds (distance) C4'-P energy: -38.258
bonds (distance) P-C4' energy: -46.405
flat angles C4'-P-C4' energy: -36.640
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -965.922941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.922941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.922941 (E_RNA)
where:
Base-Base interactions energy: -669.799
where: short stacking energy: -290.666
Base-Backbone interact. energy: 0.245
local terms energy: -296.369597
where:
bonds (distance) C4'-P energy: -48.636
bonds (distance) P-C4' energy: -58.571
flat angles C4'-P-C4' energy: -59.243
flat angles P-C4'-P energy: -40.890
tors. eta vs tors. theta energy: -89.029
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: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -932.440560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.440560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.440560 (E_RNA)
where:
Base-Base interactions energy: -642.620
where: short stacking energy: -288.719
Base-Backbone interact. energy: -0.013
local terms energy: -289.807475
where:
bonds (distance) C4'-P energy: -49.801
bonds (distance) P-C4' energy: -54.230
flat angles C4'-P-C4' energy: -62.574
flat angles P-C4'-P energy: -39.595
tors. eta vs tors. theta energy: -83.608
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: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -896.812692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.812692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.812692 (E_RNA)
where:
Base-Base interactions energy: -604.706
where: short stacking energy: -271.327
Base-Backbone interact. energy: -1.669
local terms energy: -290.438046
where:
bonds (distance) C4'-P energy: -58.538
bonds (distance) P-C4' energy: -51.074
flat angles C4'-P-C4' energy: -58.387
flat angles P-C4'-P energy: -45.016
tors. eta vs tors. theta energy: -77.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -855.797041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.797041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.797041 (E_RNA)
where:
Base-Base interactions energy: -581.498
where: short stacking energy: -258.161
Base-Backbone interact. energy: -0.189
local terms energy: -274.109576
where:
bonds (distance) C4'-P energy: -52.964
bonds (distance) P-C4' energy: -48.312
flat angles C4'-P-C4' energy: -57.588
flat angles P-C4'-P energy: -36.781
tors. eta vs tors. theta energy: -78.464
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: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -806.215926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.215926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.215926 (E_RNA)
where:
Base-Base interactions energy: -556.024
where: short stacking energy: -232.961
Base-Backbone interact. energy: 1.513
local terms energy: -251.704890
where:
bonds (distance) C4'-P energy: -49.308
bonds (distance) P-C4' energy: -53.522
flat angles C4'-P-C4' energy: -44.645
flat angles P-C4'-P energy: -40.041
tors. eta vs tors. theta energy: -64.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -783.567512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.567512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.567512 (E_RNA)
where:
Base-Base interactions energy: -540.295
where: short stacking energy: -238.540
Base-Backbone interact. energy: -1.362
local terms energy: -241.910075
where:
bonds (distance) C4'-P energy: -47.205
bonds (distance) P-C4' energy: -51.240
flat angles C4'-P-C4' energy: -48.183
flat angles P-C4'-P energy: -29.811
tors. eta vs tors. theta energy: -65.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -758.671105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.671105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.671105 (E_RNA)
where:
Base-Base interactions energy: -513.948
where: short stacking energy: -229.748
Base-Backbone interact. energy: 0.803
local terms energy: -245.525780
where:
bonds (distance) C4'-P energy: -44.780
bonds (distance) P-C4' energy: -43.756
flat angles C4'-P-C4' energy: -52.700
flat angles P-C4'-P energy: -40.818
tors. eta vs tors. theta energy: -63.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -622.318150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.318150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.318150 (E_RNA)
where:
Base-Base interactions energy: -421.562
where: short stacking energy: -181.551
Base-Backbone interact. energy: -1.096
local terms energy: -199.660425
where:
bonds (distance) C4'-P energy: -28.107
bonds (distance) P-C4' energy: -43.616
flat angles C4'-P-C4' energy: -48.189
flat angles P-C4'-P energy: -39.023
tors. eta vs tors. theta energy: -40.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -664.620429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.620429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.620429 (E_RNA)
where:
Base-Base interactions energy: -482.351
where: short stacking energy: -183.304
Base-Backbone interact. energy: -0.884
local terms energy: -181.385040
where:
bonds (distance) C4'-P energy: -41.384
bonds (distance) P-C4' energy: -34.204
flat angles C4'-P-C4' energy: -47.245
flat angles P-C4'-P energy: -20.826
tors. eta vs tors. theta energy: -37.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -250.163006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.163006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.163006 (E_RNA)
where:
Base-Base interactions energy: -101.579
where: short stacking energy: -70.875
Base-Backbone interact. energy: -0.617
local terms energy: -147.967145
where:
bonds (distance) C4'-P energy: -40.370
bonds (distance) P-C4' energy: -43.079
flat angles C4'-P-C4' energy: -42.429
flat angles P-C4'-P energy: -18.931
tors. eta vs tors. theta energy: -3.159
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: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -961.698761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.698761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.698761 (E_RNA)
where:
Base-Base interactions energy: -666.430
where: short stacking energy: -300.295
Base-Backbone interact. energy: 0.797
local terms energy: -296.066069
where:
bonds (distance) C4'-P energy: -47.945
bonds (distance) P-C4' energy: -53.848
flat angles C4'-P-C4' energy: -59.942
flat angles P-C4'-P energy: -40.190
tors. eta vs tors. theta energy: -94.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -902.780922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.780922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.780922 (E_RNA)
where:
Base-Base interactions energy: -626.711
where: short stacking energy: -276.508
Base-Backbone interact. energy: -0.613
local terms energy: -275.457238
where:
bonds (distance) C4'-P energy: -48.348
bonds (distance) P-C4' energy: -55.757
flat angles C4'-P-C4' energy: -55.917
flat angles P-C4'-P energy: -38.140
tors. eta vs tors. theta energy: -77.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -908.731052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.731052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.731052 (E_RNA)
where:
Base-Base interactions energy: -617.185
where: short stacking energy: -273.241
Base-Backbone interact. energy: -0.876
local terms energy: -290.669746
where:
bonds (distance) C4'-P energy: -51.561
bonds (distance) P-C4' energy: -54.882
flat angles C4'-P-C4' energy: -61.658
flat angles P-C4'-P energy: -35.696
tors. eta vs tors. theta energy: -86.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -835.255951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.255951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.255951 (E_RNA)
where:
Base-Base interactions energy: -571.436
where: short stacking energy: -250.536
Base-Backbone interact. energy: -0.322
local terms energy: -263.497709
where:
bonds (distance) C4'-P energy: -41.095
bonds (distance) P-C4' energy: -60.663
flat angles C4'-P-C4' energy: -52.543
flat angles P-C4'-P energy: -42.632
tors. eta vs tors. theta energy: -66.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -819.865064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.865064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.865064 (E_RNA)
where:
Base-Base interactions energy: -563.202
where: short stacking energy: -245.861
Base-Backbone interact. energy: 0.041
local terms energy: -256.703954
where:
bonds (distance) C4'-P energy: -42.476
bonds (distance) P-C4' energy: -56.909
flat angles C4'-P-C4' energy: -50.680
flat angles P-C4'-P energy: -36.924
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: 6, replica: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -809.384993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.384993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.384993 (E_RNA)
where:
Base-Base interactions energy: -573.662
where: short stacking energy: -238.823
Base-Backbone interact. energy: -0.051
local terms energy: -235.672251
where:
bonds (distance) C4'-P energy: -43.670
bonds (distance) P-C4' energy: -46.053
flat angles C4'-P-C4' energy: -51.434
flat angles P-C4'-P energy: -32.278
tors. eta vs tors. theta energy: -62.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -742.229868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.229868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.229868 (E_RNA)
where:
Base-Base interactions energy: -504.190
where: short stacking energy: -216.411
Base-Backbone interact. energy: 0.648
local terms energy: -238.688526
where:
bonds (distance) C4'-P energy: -47.157
bonds (distance) P-C4' energy: -47.289
flat angles C4'-P-C4' energy: -60.009
flat angles P-C4'-P energy: -19.296
tors. eta vs tors. theta energy: -64.937
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: 435
Temperature: 1.250000
Total energy: -682.328656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.328656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.328656 (E_RNA)
where:
Base-Base interactions energy: -476.809
where: short stacking energy: -188.115
Base-Backbone interact. energy: -1.958
local terms energy: -203.561664
where:
bonds (distance) C4'-P energy: -41.801
bonds (distance) P-C4' energy: -42.306
flat angles C4'-P-C4' energy: -45.701
flat angles P-C4'-P energy: -33.217
tors. eta vs tors. theta energy: -40.536
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: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -630.254972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.254972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.254972 (E_RNA)
where:
Base-Base interactions energy: -416.690
where: short stacking energy: -178.375
Base-Backbone interact. energy: -1.275
local terms energy: -212.289487
where:
bonds (distance) C4'-P energy: -35.449
bonds (distance) P-C4' energy: -46.431
flat angles C4'-P-C4' energy: -50.230
flat angles P-C4'-P energy: -32.339
tors. eta vs tors. theta energy: -47.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -232.084741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.084741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.084741 (E_RNA)
where:
Base-Base interactions energy: -83.022
where: short stacking energy: -67.701
Base-Backbone interact. energy: -0.059
local terms energy: -149.004538
where:
bonds (distance) C4'-P energy: -32.476
bonds (distance) P-C4' energy: -53.536
flat angles C4'-P-C4' energy: -42.158
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -966.947606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.947606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.947606 (E_RNA)
where:
Base-Base interactions energy: -653.202
where: short stacking energy: -280.020
Base-Backbone interact. energy: -0.899
local terms energy: -312.846703
where:
bonds (distance) C4'-P energy: -55.251
bonds (distance) P-C4' energy: -60.414
flat angles C4'-P-C4' energy: -63.654
flat angles P-C4'-P energy: -48.115
tors. eta vs tors. theta energy: -85.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -951.554748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.554748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.554748 (E_RNA)
where:
Base-Base interactions energy: -658.441
where: short stacking energy: -288.988
Base-Backbone interact. energy: -0.436
local terms energy: -292.678334
where:
bonds (distance) C4'-P energy: -49.283
bonds (distance) P-C4' energy: -51.198
flat angles C4'-P-C4' energy: -66.734
flat angles P-C4'-P energy: -34.942
tors. eta vs tors. theta energy: -90.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -901.599659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.599659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.599659 (E_RNA)
where:
Base-Base interactions energy: -613.578
where: short stacking energy: -268.832
Base-Backbone interact. energy: 1.147
local terms energy: -289.169483
where:
bonds (distance) C4'-P energy: -53.945
bonds (distance) P-C4' energy: -54.263
flat angles C4'-P-C4' energy: -60.554
flat angles P-C4'-P energy: -39.604
tors. eta vs tors. theta energy: -80.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -833.151064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.151064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.151064 (E_RNA)
where:
Base-Base interactions energy: -563.707
where: short stacking energy: -259.773
Base-Backbone interact. energy: -0.656
local terms energy: -268.787664
where:
bonds (distance) C4'-P energy: -51.041
bonds (distance) P-C4' energy: -51.438
flat angles C4'-P-C4' energy: -55.366
flat angles P-C4'-P energy: -37.910
tors. eta vs tors. theta energy: -73.033
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: 5
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -808.735540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.735540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.735540 (E_RNA)
where:
Base-Base interactions energy: -556.845
where: short stacking energy: -244.981
Base-Backbone interact. energy: -0.596
local terms energy: -251.294706
where:
bonds (distance) C4'-P energy: -40.060
bonds (distance) P-C4' energy: -53.684
flat angles C4'-P-C4' energy: -55.448
flat angles P-C4'-P energy: -32.806
tors. eta vs tors. theta energy: -69.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -768.520908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.520908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.520908 (E_RNA)
where:
Base-Base interactions energy: -517.894
where: short stacking energy: -221.364
Base-Backbone interact. energy: -1.593
local terms energy: -249.034336
where:
bonds (distance) C4'-P energy: -46.584
bonds (distance) P-C4' energy: -51.253
flat angles C4'-P-C4' energy: -58.567
flat angles P-C4'-P energy: -31.544
tors. eta vs tors. theta energy: -61.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -755.287745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.287745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.287745 (E_RNA)
where:
Base-Base interactions energy: -518.867
where: short stacking energy: -230.724
Base-Backbone interact. energy: 0.064
local terms energy: -236.485183
where:
bonds (distance) C4'-P energy: -41.494
bonds (distance) P-C4' energy: -53.528
flat angles C4'-P-C4' energy: -51.105
flat angles P-C4'-P energy: -26.023
tors. eta vs tors. theta energy: -64.334
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: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -607.532460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.532460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.532460 (E_RNA)
where:
Base-Base interactions energy: -393.834
where: short stacking energy: -158.287
Base-Backbone interact. energy: 0.891
local terms energy: -214.588974
where:
bonds (distance) C4'-P energy: -46.193
bonds (distance) P-C4' energy: -51.199
flat angles C4'-P-C4' energy: -48.642
flat angles P-C4'-P energy: -37.564
tors. eta vs tors. theta energy: -30.991
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: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -624.671428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.671428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.671428 (E_RNA)
where:
Base-Base interactions energy: -428.329
where: short stacking energy: -169.147
Base-Backbone interact. energy: 0.354
local terms energy: -196.695819
where:
bonds (distance) C4'-P energy: -37.227
bonds (distance) P-C4' energy: -38.794
flat angles C4'-P-C4' energy: -50.263
flat angles P-C4'-P energy: -31.020
tors. eta vs tors. theta energy: -39.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -232.404987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.404987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.404987 (E_RNA)
where:
Base-Base interactions energy: -97.293
where: short stacking energy: -61.087
Base-Backbone interact. energy: 2.230
local terms energy: -137.342166
where:
bonds (distance) C4'-P energy: -36.295
bonds (distance) P-C4' energy: -47.609
flat angles C4'-P-C4' energy: -36.463
flat angles P-C4'-P energy: -21.004
tors. eta vs tors. theta energy: 4.028
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: 437
Temperature: 0.900000
Total energy: -949.067653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.067653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.067653 (E_RNA)
where:
Base-Base interactions energy: -650.187
where: short stacking energy: -292.233
Base-Backbone interact. energy: -0.599
local terms energy: -298.281553
where:
bonds (distance) C4'-P energy: -46.537
bonds (distance) P-C4' energy: -56.355
flat angles C4'-P-C4' energy: -60.049
flat angles P-C4'-P energy: -45.898
tors. eta vs tors. theta energy: -89.442
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: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -949.316772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.316772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.316772 (E_RNA)
where:
Base-Base interactions energy: -643.724
where: short stacking energy: -290.674
Base-Backbone interact. energy: -1.243
local terms energy: -304.349818
where:
bonds (distance) C4'-P energy: -59.703
bonds (distance) P-C4' energy: -58.064
flat angles C4'-P-C4' energy: -60.454
flat angles P-C4'-P energy: -40.414
tors. eta vs tors. theta energy: -85.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -894.202797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.202797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.202797 (E_RNA)
where:
Base-Base interactions energy: -624.318
where: short stacking energy: -265.813
Base-Backbone interact. energy: -0.999
local terms energy: -268.885961
where:
bonds (distance) C4'-P energy: -42.196
bonds (distance) P-C4' energy: -52.839
flat angles C4'-P-C4' energy: -53.360
flat angles P-C4'-P energy: -41.948
tors. eta vs tors. theta energy: -78.544
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: 437
Temperature: 1.050000
Total energy: -819.057969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.057969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.057969 (E_RNA)
where:
Base-Base interactions energy: -576.573
where: short stacking energy: -248.129
Base-Backbone interact. energy: 1.739
local terms energy: -244.224030
where:
bonds (distance) C4'-P energy: -50.586
bonds (distance) P-C4' energy: -50.851
flat angles C4'-P-C4' energy: -47.298
flat angles P-C4'-P energy: -30.832
tors. eta vs tors. theta energy: -64.657
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: 2
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -805.828624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.828624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.828624 (E_RNA)
where:
Base-Base interactions energy: -528.805
where: short stacking energy: -234.801
Base-Backbone interact. energy: -0.122
local terms energy: -276.901998
where:
bonds (distance) C4'-P energy: -51.868
bonds (distance) P-C4' energy: -53.555
flat angles C4'-P-C4' energy: -55.893
flat angles P-C4'-P energy: -40.083
tors. eta vs tors. theta energy: -75.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -767.560873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.560873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.560873 (E_RNA)
where:
Base-Base interactions energy: -537.291
where: short stacking energy: -218.770
Base-Backbone interact. energy: 0.666
local terms energy: -230.935937
where:
bonds (distance) C4'-P energy: -36.311
bonds (distance) P-C4' energy: -52.754
flat angles C4'-P-C4' energy: -54.344
flat angles P-C4'-P energy: -35.341
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: 7, replica: 6
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -706.523462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.523462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.523462 (E_RNA)
where:
Base-Base interactions energy: -463.270
where: short stacking energy: -194.312
Base-Backbone interact. energy: -0.825
local terms energy: -242.428920
where:
bonds (distance) C4'-P energy: -46.001
bonds (distance) P-C4' energy: -46.601
flat angles C4'-P-C4' energy: -58.009
flat angles P-C4'-P energy: -30.633
tors. eta vs tors. theta energy: -61.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -642.242970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.242970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.242970 (E_RNA)
where:
Base-Base interactions energy: -451.520
where: short stacking energy: -182.442
Base-Backbone interact. energy: 1.216
local terms energy: -191.939464
where:
bonds (distance) C4'-P energy: -45.836
bonds (distance) P-C4' energy: -38.149
flat angles C4'-P-C4' energy: -36.274
flat angles P-C4'-P energy: -27.914
tors. eta vs tors. theta energy: -43.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -565.816105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.816105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.816105 (E_RNA)
where:
Base-Base interactions energy: -374.519
where: short stacking energy: -160.142
Base-Backbone interact. energy: -2.195
local terms energy: -189.101806
where:
bonds (distance) C4'-P energy: -41.662
bonds (distance) P-C4' energy: -45.569
flat angles C4'-P-C4' energy: -46.918
flat angles P-C4'-P energy: -21.423
tors. eta vs tors. theta energy: -33.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -281.830250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.830250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.830250 (E_RNA)
where:
Base-Base interactions energy: -137.123
where: short stacking energy: -86.006
Base-Backbone interact. energy: -1.207
local terms energy: -143.500839
where:
bonds (distance) C4'-P energy: -44.746
bonds (distance) P-C4' energy: -44.974
flat angles C4'-P-C4' energy: -40.612
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -955.251957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.251957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.251957 (E_RNA)
where:
Base-Base interactions energy: -661.423
where: short stacking energy: -286.926
Base-Backbone interact. energy: -1.629
local terms energy: -292.200272
where:
bonds (distance) C4'-P energy: -52.397
bonds (distance) P-C4' energy: -57.797
flat angles C4'-P-C4' energy: -57.890
flat angles P-C4'-P energy: -37.689
tors. eta vs tors. theta energy: -86.427
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: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -935.621107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.621107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.621107 (E_RNA)
where:
Base-Base interactions energy: -643.699
where: short stacking energy: -280.704
Base-Backbone interact. energy: -0.691
local terms energy: -291.230961
where:
bonds (distance) C4'-P energy: -51.247
bonds (distance) P-C4' energy: -52.465
flat angles C4'-P-C4' energy: -55.977
flat angles P-C4'-P energy: -43.441
tors. eta vs tors. theta energy: -88.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -854.743979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.743979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.743979 (E_RNA)
where:
Base-Base interactions energy: -579.514
where: short stacking energy: -250.567
Base-Backbone interact. energy: -1.574
local terms energy: -273.655770
where:
bonds (distance) C4'-P energy: -52.955
bonds (distance) P-C4' energy: -50.689
flat angles C4'-P-C4' energy: -61.856
flat angles P-C4'-P energy: -36.947
tors. eta vs tors. theta energy: -71.209
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: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -841.068359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.068359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.068359 (E_RNA)
where:
Base-Base interactions energy: -590.306
where: short stacking energy: -239.172
Base-Backbone interact. energy: -0.040
local terms energy: -250.722834
where:
bonds (distance) C4'-P energy: -48.939
bonds (distance) P-C4' energy: -41.889
flat angles C4'-P-C4' energy: -55.071
flat angles P-C4'-P energy: -31.039
tors. eta vs tors. theta energy: -73.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -750.405577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.405577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.405577 (E_RNA)
where:
Base-Base interactions energy: -517.308
where: short stacking energy: -204.675
Base-Backbone interact. energy: 4.118
local terms energy: -237.215333
where:
bonds (distance) C4'-P energy: -53.867
bonds (distance) P-C4' energy: -46.694
flat angles C4'-P-C4' energy: -52.336
flat angles P-C4'-P energy: -36.845
tors. eta vs tors. theta energy: -47.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -791.593288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.593288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.593288 (E_RNA)
where:
Base-Base interactions energy: -520.194
where: short stacking energy: -229.889
Base-Backbone interact. energy: -1.081
local terms energy: -270.317771
where:
bonds (distance) C4'-P energy: -47.285
bonds (distance) P-C4' energy: -53.988
flat angles C4'-P-C4' energy: -64.276
flat angles P-C4'-P energy: -38.889
tors. eta vs tors. theta energy: -65.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -745.579806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.579806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.579806 (E_RNA)
where:
Base-Base interactions energy: -506.524
where: short stacking energy: -214.589
Base-Backbone interact. energy: 0.934
local terms energy: -239.988976
where:
bonds (distance) C4'-P energy: -43.946
bonds (distance) P-C4' energy: -51.821
flat angles C4'-P-C4' energy: -43.347
flat angles P-C4'-P energy: -36.758
tors. eta vs tors. theta energy: -64.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -636.023744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.023744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.023744 (E_RNA)
where:
Base-Base interactions energy: -427.967
where: short stacking energy: -182.333
Base-Backbone interact. energy: -0.637
local terms energy: -207.419573
where:
bonds (distance) C4'-P energy: -30.987
bonds (distance) P-C4' energy: -54.326
flat angles C4'-P-C4' energy: -44.523
flat angles P-C4'-P energy: -27.861
tors. eta vs tors. theta energy: -49.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -602.024729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.024729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.024729 (E_RNA)
where:
Base-Base interactions energy: -411.242
where: short stacking energy: -176.948
Base-Backbone interact. energy: -1.725
local terms energy: -189.057484
where:
bonds (distance) C4'-P energy: -53.579
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -46.249
flat angles P-C4'-P energy: -23.119
tors. eta vs tors. theta energy: -49.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -306.588039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.588039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.588039 (E_RNA)
where:
Base-Base interactions energy: -160.278
where: short stacking energy: -76.752
Base-Backbone interact. energy: -1.084
local terms energy: -145.225907
where:
bonds (distance) C4'-P energy: -44.771
bonds (distance) P-C4' energy: -44.608
flat angles C4'-P-C4' energy: -35.809
flat angles P-C4'-P energy: -16.648
tors. eta vs tors. theta energy: -3.390
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: 439
Temperature: 0.900000
Total energy: -953.677813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.677813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.677813 (E_RNA)
where:
Base-Base interactions energy: -658.741
where: short stacking energy: -302.050
Base-Backbone interact. energy: -0.649
local terms energy: -294.288234
where:
bonds (distance) C4'-P energy: -49.613
bonds (distance) P-C4' energy: -51.477
flat angles C4'-P-C4' energy: -60.970
flat angles P-C4'-P energy: -40.492
tors. eta vs tors. theta energy: -91.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -930.215972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.215972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.215972 (E_RNA)
where:
Base-Base interactions energy: -653.090
where: short stacking energy: -282.929
Base-Backbone interact. energy: -0.730
local terms energy: -276.396207
where:
bonds (distance) C4'-P energy: -54.512
bonds (distance) P-C4' energy: -42.477
flat angles C4'-P-C4' energy: -57.301
flat angles P-C4'-P energy: -38.263
tors. eta vs tors. theta energy: -83.843
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: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -840.164429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.164429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.164429 (E_RNA)
where:
Base-Base interactions energy: -578.329
where: short stacking energy: -252.406
Base-Backbone interact. energy: -0.267
local terms energy: -261.568753
where:
bonds (distance) C4'-P energy: -41.302
bonds (distance) P-C4' energy: -48.073
flat angles C4'-P-C4' energy: -59.404
flat angles P-C4'-P energy: -38.189
tors. eta vs tors. theta energy: -74.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -850.507133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.507133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.507133 (E_RNA)
where:
Base-Base interactions energy: -598.277
where: short stacking energy: -241.566
Base-Backbone interact. energy: -1.253
local terms energy: -250.977740
where:
bonds (distance) C4'-P energy: -48.091
bonds (distance) P-C4' energy: -40.974
flat angles C4'-P-C4' energy: -53.778
flat angles P-C4'-P energy: -42.587
tors. eta vs tors. theta energy: -65.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -764.533273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.533273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.533273 (E_RNA)
where:
Base-Base interactions energy: -513.888
where: short stacking energy: -214.086
Base-Backbone interact. energy: -2.845
local terms energy: -247.799951
where:
bonds (distance) C4'-P energy: -43.470
bonds (distance) P-C4' energy: -50.628
flat angles C4'-P-C4' energy: -55.242
flat angles P-C4'-P energy: -33.215
tors. eta vs tors. theta energy: -65.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -795.070535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.070535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.070535 (E_RNA)
where:
Base-Base interactions energy: -540.633
where: short stacking energy: -241.085
Base-Backbone interact. energy: -0.751
local terms energy: -253.685997
where:
bonds (distance) C4'-P energy: -41.426
bonds (distance) P-C4' energy: -55.877
flat angles C4'-P-C4' energy: -50.465
flat angles P-C4'-P energy: -37.394
tors. eta vs tors. theta energy: -68.524
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: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -718.851532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.851532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.851532 (E_RNA)
where:
Base-Base interactions energy: -497.023
where: short stacking energy: -204.765
Base-Backbone interact. energy: 0.329
local terms energy: -222.157795
where:
bonds (distance) C4'-P energy: -39.509
bonds (distance) P-C4' energy: -48.993
flat angles C4'-P-C4' energy: -53.996
flat angles P-C4'-P energy: -24.910
tors. eta vs tors. theta energy: -54.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -686.678773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.678773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.678773 (E_RNA)
where:
Base-Base interactions energy: -456.554
where: short stacking energy: -197.647
Base-Backbone interact. energy: 5.368
local terms energy: -235.492557
where:
bonds (distance) C4'-P energy: -49.649
bonds (distance) P-C4' energy: -45.388
flat angles C4'-P-C4' energy: -55.696
flat angles P-C4'-P energy: -34.387
tors. eta vs tors. theta energy: -50.373
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: 9, replica: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -578.664674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.664674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.664674 (E_RNA)
where:
Base-Base interactions energy: -378.286
where: short stacking energy: -154.950
Base-Backbone interact. energy: -1.454
local terms energy: -198.924611
where:
bonds (distance) C4'-P energy: -44.126
bonds (distance) P-C4' energy: -54.262
flat angles C4'-P-C4' energy: -39.889
flat angles P-C4'-P energy: -21.970
tors. eta vs tors. theta energy: -38.678
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: 10
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -316.641082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.641082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.641082 (E_RNA)
where:
Base-Base interactions energy: -150.308
where: short stacking energy: -78.837
Base-Backbone interact. energy: -0.605
local terms energy: -165.727614
where:
bonds (distance) C4'-P energy: -45.869
bonds (distance) P-C4' energy: -43.966
flat angles C4'-P-C4' energy: -43.163
flat angles P-C4'-P energy: -24.138
tors. eta vs tors. theta energy: -8.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -969.830101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.830101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.830101 (E_RNA)
where:
Base-Base interactions energy: -672.342
where: short stacking energy: -300.798
Base-Backbone interact. energy: -0.635
local terms energy: -296.853521
where:
bonds (distance) C4'-P energy: -48.812
bonds (distance) P-C4' energy: -55.459
flat angles C4'-P-C4' energy: -59.779
flat angles P-C4'-P energy: -42.613
tors. eta vs tors. theta energy: -90.191
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: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -912.444484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.444484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.444484 (E_RNA)
where:
Base-Base interactions energy: -646.634
where: short stacking energy: -280.946
Base-Backbone interact. energy: -1.346
local terms energy: -264.465215
where:
bonds (distance) C4'-P energy: -43.620
bonds (distance) P-C4' energy: -51.899
flat angles C4'-P-C4' energy: -57.136
flat angles P-C4'-P energy: -34.881
tors. eta vs tors. theta energy: -76.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -869.810818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.810818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.810818 (E_RNA)
where:
Base-Base interactions energy: -600.765
where: short stacking energy: -244.855
Base-Backbone interact. energy: -1.199
local terms energy: -267.846290
where:
bonds (distance) C4'-P energy: -51.670
bonds (distance) P-C4' energy: -49.854
flat angles C4'-P-C4' energy: -55.480
flat angles P-C4'-P energy: -40.253
tors. eta vs tors. theta energy: -70.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -834.012294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.012294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.012294 (E_RNA)
where:
Base-Base interactions energy: -580.789
where: short stacking energy: -265.929
Base-Backbone interact. energy: -0.239
local terms energy: -252.984314
where:
bonds (distance) C4'-P energy: -44.847
bonds (distance) P-C4' energy: -47.232
flat angles C4'-P-C4' energy: -56.283
flat angles P-C4'-P energy: -28.582
tors. eta vs tors. theta energy: -76.040
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: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -797.953455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.953455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.953455 (E_RNA)
where:
Base-Base interactions energy: -530.201
where: short stacking energy: -233.134
Base-Backbone interact. energy: -0.973
local terms energy: -266.779430
where:
bonds (distance) C4'-P energy: -45.954
bonds (distance) P-C4' energy: -56.678
flat angles C4'-P-C4' energy: -59.529
flat angles P-C4'-P energy: -42.154
tors. eta vs tors. theta energy: -62.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -775.075202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.075202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.075202 (E_RNA)
where:
Base-Base interactions energy: -531.051
where: short stacking energy: -211.689
Base-Backbone interact. energy: 3.472
local terms energy: -247.496941
where:
bonds (distance) C4'-P energy: -53.247
bonds (distance) P-C4' energy: -43.139
flat angles C4'-P-C4' energy: -57.208
flat angles P-C4'-P energy: -29.399
tors. eta vs tors. theta energy: -64.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -704.089211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.089211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.089211 (E_RNA)
where:
Base-Base interactions energy: -471.120
where: short stacking energy: -188.988
Base-Backbone interact. energy: -0.151
local terms energy: -232.818400
where:
bonds (distance) C4'-P energy: -40.967
bonds (distance) P-C4' energy: -55.132
flat angles C4'-P-C4' energy: -49.294
flat angles P-C4'-P energy: -37.342
tors. eta vs tors. theta energy: -50.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -645.908692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.908692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.908692 (E_RNA)
where:
Base-Base interactions energy: -425.014
where: short stacking energy: -182.408
Base-Backbone interact. energy: -0.957
local terms energy: -219.938008
where:
bonds (distance) C4'-P energy: -51.645
bonds (distance) P-C4' energy: -53.429
flat angles C4'-P-C4' energy: -46.313
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -50.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -526.455361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.455361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.455361 (E_RNA)
where:
Base-Base interactions energy: -343.101
where: short stacking energy: -150.515
Base-Backbone interact. energy: -0.747
local terms energy: -182.606458
where:
bonds (distance) C4'-P energy: -39.758
bonds (distance) P-C4' energy: -48.439
flat angles C4'-P-C4' energy: -36.418
flat angles P-C4'-P energy: -26.855
tors. eta vs tors. theta energy: -31.136
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: 440
Temperature: 1.350000
Total energy: -264.601803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.601803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.601803 (E_RNA)
where:
Base-Base interactions energy: -113.456
where: short stacking energy: -79.322
Base-Backbone interact. energy: -0.668
local terms energy: -150.477739
where:
bonds (distance) C4'-P energy: -33.937
bonds (distance) P-C4' energy: -47.156
flat angles C4'-P-C4' energy: -43.219
flat angles P-C4'-P energy: -26.365
tors. eta vs tors. theta energy: 0.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -964.547430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.547430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.547430 (E_RNA)
where:
Base-Base interactions energy: -657.321
where: short stacking energy: -297.115
Base-Backbone interact. energy: -0.432
local terms energy: -306.795049
where:
bonds (distance) C4'-P energy: -47.575
bonds (distance) P-C4' energy: -53.392
flat angles C4'-P-C4' energy: -66.602
flat angles P-C4'-P energy: -48.403
tors. eta vs tors. theta energy: -90.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -928.490330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.490330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.490330 (E_RNA)
where:
Base-Base interactions energy: -659.984
where: short stacking energy: -275.135
Base-Backbone interact. energy: -0.848
local terms energy: -267.658526
where:
bonds (distance) C4'-P energy: -36.835
bonds (distance) P-C4' energy: -46.755
flat angles C4'-P-C4' energy: -60.962
flat angles P-C4'-P energy: -39.263
tors. eta vs tors. theta energy: -83.844
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: 3, replica: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -882.122426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.122426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.122426 (E_RNA)
where:
Base-Base interactions energy: -621.353
where: short stacking energy: -250.991
Base-Backbone interact. energy: 3.021
local terms energy: -263.790689
where:
bonds (distance) C4'-P energy: -51.277
bonds (distance) P-C4' energy: -50.253
flat angles C4'-P-C4' energy: -58.414
flat angles P-C4'-P energy: -32.523
tors. eta vs tors. theta energy: -71.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -839.573930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.573930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.573930 (E_RNA)
where:
Base-Base interactions energy: -566.708
where: short stacking energy: -250.406
Base-Backbone interact. energy: -1.208
local terms energy: -271.658162
where:
bonds (distance) C4'-P energy: -47.156
bonds (distance) P-C4' energy: -55.956
flat angles C4'-P-C4' energy: -60.718
flat angles P-C4'-P energy: -36.001
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: 5, replica: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -814.544918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.544918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.544918 (E_RNA)
where:
Base-Base interactions energy: -551.718
where: short stacking energy: -249.687
Base-Backbone interact. energy: -1.303
local terms energy: -261.524682
where:
bonds (distance) C4'-P energy: -38.012
bonds (distance) P-C4' energy: -50.368
flat angles C4'-P-C4' energy: -59.236
flat angles P-C4'-P energy: -38.892
tors. eta vs tors. theta energy: -75.017
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: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -796.577510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.577510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.577510 (E_RNA)
where:
Base-Base interactions energy: -547.360
where: short stacking energy: -225.174
Base-Backbone interact. energy: -1.061
local terms energy: -248.157303
where:
bonds (distance) C4'-P energy: -42.967
bonds (distance) P-C4' energy: -43.439
flat angles C4'-P-C4' energy: -61.247
flat angles P-C4'-P energy: -35.096
tors. eta vs tors. theta energy: -65.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -704.249309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.249309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.249309 (E_RNA)
where:
Base-Base interactions energy: -467.474
where: short stacking energy: -192.349
Base-Backbone interact. energy: -0.268
local terms energy: -236.507437
where:
bonds (distance) C4'-P energy: -43.295
bonds (distance) P-C4' energy: -53.558
flat angles C4'-P-C4' energy: -54.654
flat angles P-C4'-P energy: -31.492
tors. eta vs tors. theta energy: -53.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -622.644197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.644197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.644197 (E_RNA)
where:
Base-Base interactions energy: -419.663
where: short stacking energy: -183.338
Base-Backbone interact. energy: 0.764
local terms energy: -203.744814
where:
bonds (distance) C4'-P energy: -42.596
bonds (distance) P-C4' energy: -39.178
flat angles C4'-P-C4' energy: -48.147
flat angles P-C4'-P energy: -31.062
tors. eta vs tors. theta energy: -42.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -556.914068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.914068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.914068 (E_RNA)
where:
Base-Base interactions energy: -372.010
where: short stacking energy: -173.069
Base-Backbone interact. energy: -0.401
local terms energy: -184.502437
where:
bonds (distance) C4'-P energy: -34.349
bonds (distance) P-C4' energy: -38.783
flat angles C4'-P-C4' energy: -51.661
flat angles P-C4'-P energy: -24.359
tors. eta vs tors. theta energy: -35.350
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: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -248.984562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.984562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.984562 (E_RNA)
where:
Base-Base interactions energy: -108.832
where: short stacking energy: -55.726
Base-Backbone interact. energy: -0.586
local terms energy: -139.565913
where:
bonds (distance) C4'-P energy: -45.709
bonds (distance) P-C4' energy: -53.015
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -23.862
tors. eta vs tors. theta energy: 1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -955.456347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.456347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.456347 (E_RNA)
where:
Base-Base interactions energy: -654.792
where: short stacking energy: -283.911
Base-Backbone interact. energy: -2.127
local terms energy: -298.537448
where:
bonds (distance) C4'-P energy: -54.530
bonds (distance) P-C4' energy: -61.535
flat angles C4'-P-C4' energy: -57.985
flat angles P-C4'-P energy: -39.622
tors. eta vs tors. theta energy: -84.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -919.716570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.716570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.716570 (E_RNA)
where:
Base-Base interactions energy: -635.977
where: short stacking energy: -274.993
Base-Backbone interact. energy: -0.771
local terms energy: -282.968610
where:
bonds (distance) C4'-P energy: -52.972
bonds (distance) P-C4' energy: -51.399
flat angles C4'-P-C4' energy: -57.968
flat angles P-C4'-P energy: -39.001
tors. eta vs tors. theta energy: -81.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -864.284343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.284343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.284343 (E_RNA)
where:
Base-Base interactions energy: -605.797
where: short stacking energy: -241.138
Base-Backbone interact. energy: -1.979
local terms energy: -256.508625
where:
bonds (distance) C4'-P energy: -51.464
bonds (distance) P-C4' energy: -52.766
flat angles C4'-P-C4' energy: -50.860
flat angles P-C4'-P energy: -32.869
tors. eta vs tors. theta energy: -68.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -825.671479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.671479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.671479 (E_RNA)
where:
Base-Base interactions energy: -560.151
where: short stacking energy: -245.802
Base-Backbone interact. energy: -0.886
local terms energy: -264.634504
where:
bonds (distance) C4'-P energy: -47.972
bonds (distance) P-C4' energy: -41.185
flat angles C4'-P-C4' energy: -61.127
flat angles P-C4'-P energy: -42.575
tors. eta vs tors. theta energy: -71.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -814.829284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.829284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.829284 (E_RNA)
where:
Base-Base interactions energy: -567.128
where: short stacking energy: -244.946
Base-Backbone interact. energy: 0.137
local terms energy: -247.838189
where:
bonds (distance) C4'-P energy: -39.415
bonds (distance) P-C4' energy: -47.700
flat angles C4'-P-C4' energy: -45.459
flat angles P-C4'-P energy: -42.606
tors. eta vs tors. theta energy: -72.657
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: 2
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -782.256728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.256728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.256728 (E_RNA)
where:
Base-Base interactions energy: -544.789
where: short stacking energy: -240.912
Base-Backbone interact. energy: -0.782
local terms energy: -236.685652
where:
bonds (distance) C4'-P energy: -45.825
bonds (distance) P-C4' energy: -41.755
flat angles C4'-P-C4' energy: -51.356
flat angles P-C4'-P energy: -36.454
tors. eta vs tors. theta energy: -61.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -680.649688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.649688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.649688 (E_RNA)
where:
Base-Base interactions energy: -463.103
where: short stacking energy: -182.220
Base-Backbone interact. energy: -1.144
local terms energy: -216.402767
where:
bonds (distance) C4'-P energy: -49.482
bonds (distance) P-C4' energy: -46.447
flat angles C4'-P-C4' energy: -46.380
flat angles P-C4'-P energy: -24.730
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: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -617.316422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.316422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.316422 (E_RNA)
where:
Base-Base interactions energy: -416.710
where: short stacking energy: -174.207
Base-Backbone interact. energy: -0.948
local terms energy: -199.658892
where:
bonds (distance) C4'-P energy: -45.341
bonds (distance) P-C4' energy: -48.868
flat angles C4'-P-C4' energy: -37.825
flat angles P-C4'-P energy: -31.370
tors. eta vs tors. theta energy: -36.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -498.898645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.898645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.898645 (E_RNA)
where:
Base-Base interactions energy: -314.907
where: short stacking energy: -151.318
Base-Backbone interact. energy: -0.317
local terms energy: -183.674536
where:
bonds (distance) C4'-P energy: -35.883
bonds (distance) P-C4' energy: -44.871
flat angles C4'-P-C4' energy: -49.371
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -31.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -276.535791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.535791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.535791 (E_RNA)
where:
Base-Base interactions energy: -138.248
where: short stacking energy: -68.383
Base-Backbone interact. energy: 0.382
local terms energy: -138.669836
where:
bonds (distance) C4'-P energy: -44.883
bonds (distance) P-C4' energy: -48.252
flat angles C4'-P-C4' energy: -33.371
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: 4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -941.027310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.027310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.027310 (E_RNA)
where:
Base-Base interactions energy: -638.423
where: short stacking energy: -284.044
Base-Backbone interact. energy: -0.462
local terms energy: -302.142557
where:
bonds (distance) C4'-P energy: -51.863
bonds (distance) P-C4' energy: -52.787
flat angles C4'-P-C4' energy: -66.176
flat angles P-C4'-P energy: -46.035
tors. eta vs tors. theta energy: -85.281
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: 443
Temperature: 0.950000
Total energy: -940.600824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.600824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.600824 (E_RNA)
where:
Base-Base interactions energy: -647.845
where: short stacking energy: -287.791
Base-Backbone interact. energy: -0.360
local terms energy: -292.395225
where:
bonds (distance) C4'-P energy: -52.906
bonds (distance) P-C4' energy: -56.953
flat angles C4'-P-C4' energy: -54.250
flat angles P-C4'-P energy: -42.712
tors. eta vs tors. theta energy: -85.574
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: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -890.828698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.828698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.828698 (E_RNA)
where:
Base-Base interactions energy: -609.044
where: short stacking energy: -262.524
Base-Backbone interact. energy: -0.760
local terms energy: -281.024367
where:
bonds (distance) C4'-P energy: -51.048
bonds (distance) P-C4' energy: -54.577
flat angles C4'-P-C4' energy: -59.167
flat angles P-C4'-P energy: -37.718
tors. eta vs tors. theta energy: -78.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -837.840549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.840549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.840549 (E_RNA)
where:
Base-Base interactions energy: -558.558
where: short stacking energy: -257.838
Base-Backbone interact. energy: 0.968
local terms energy: -280.250552
where:
bonds (distance) C4'-P energy: -53.775
bonds (distance) P-C4' energy: -56.118
flat angles C4'-P-C4' energy: -62.351
flat angles P-C4'-P energy: -37.416
tors. eta vs tors. theta energy: -70.590
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: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -841.971865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.971865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.971865 (E_RNA)
where:
Base-Base interactions energy: -579.711
where: short stacking energy: -243.608
Base-Backbone interact. energy: -0.866
local terms energy: -261.394382
where:
bonds (distance) C4'-P energy: -46.376
bonds (distance) P-C4' energy: -52.518
flat angles C4'-P-C4' energy: -54.485
flat angles P-C4'-P energy: -37.611
tors. eta vs tors. theta energy: -70.404
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: 443
Temperature: 1.150000
Total energy: -765.453953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.453953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.453953 (E_RNA)
where:
Base-Base interactions energy: -508.176
where: short stacking energy: -223.447
Base-Backbone interact. energy: -0.143
local terms energy: -257.134827
where:
bonds (distance) C4'-P energy: -40.244
bonds (distance) P-C4' energy: -51.039
flat angles C4'-P-C4' energy: -51.512
flat angles P-C4'-P energy: -47.007
tors. eta vs tors. theta energy: -67.333
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: 6
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -698.078079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.078079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.078079 (E_RNA)
where:
Base-Base interactions energy: -459.955
where: short stacking energy: -218.941
Base-Backbone interact. energy: 0.748
local terms energy: -238.871415
where:
bonds (distance) C4'-P energy: -39.768
bonds (distance) P-C4' energy: -52.146
flat angles C4'-P-C4' energy: -49.660
flat angles P-C4'-P energy: -37.480
tors. eta vs tors. theta energy: -59.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -652.751739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.751739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.751739 (E_RNA)
where:
Base-Base interactions energy: -427.120
where: short stacking energy: -180.598
Base-Backbone interact. energy: -0.713
local terms energy: -224.918549
where:
bonds (distance) C4'-P energy: -50.568
bonds (distance) P-C4' energy: -47.092
flat angles C4'-P-C4' energy: -51.613
flat angles P-C4'-P energy: -30.008
tors. eta vs tors. theta energy: -45.638
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: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -525.166451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.166451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.166451 (E_RNA)
where:
Base-Base interactions energy: -329.175
where: short stacking energy: -154.954
Base-Backbone interact. energy: -0.366
local terms energy: -195.625418
where:
bonds (distance) C4'-P energy: -44.742
bonds (distance) P-C4' energy: -49.476
flat angles C4'-P-C4' energy: -44.118
flat angles P-C4'-P energy: -24.388
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: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -277.594350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.594350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.594350 (E_RNA)
where:
Base-Base interactions energy: -120.914
where: short stacking energy: -80.714
Base-Backbone interact. energy: -1.389
local terms energy: -155.291427
where:
bonds (distance) C4'-P energy: -55.259
bonds (distance) P-C4' energy: -45.869
flat angles C4'-P-C4' energy: -31.156
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -951.664615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.664615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.664615 (E_RNA)
where:
Base-Base interactions energy: -642.326
where: short stacking energy: -283.843
Base-Backbone interact. energy: 1.587
local terms energy: -310.926229
where:
bonds (distance) C4'-P energy: -50.679
bonds (distance) P-C4' energy: -60.708
flat angles C4'-P-C4' energy: -66.513
flat angles P-C4'-P energy: -43.708
tors. eta vs tors. theta energy: -89.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -937.532490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.532490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.532490 (E_RNA)
where:
Base-Base interactions energy: -652.861
where: short stacking energy: -279.928
Base-Backbone interact. energy: 0.275
local terms energy: -284.945651
where:
bonds (distance) C4'-P energy: -46.691
bonds (distance) P-C4' energy: -46.759
flat angles C4'-P-C4' energy: -60.372
flat angles P-C4'-P energy: -44.351
tors. eta vs tors. theta energy: -86.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -855.199188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.199188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.199188 (E_RNA)
where:
Base-Base interactions energy: -597.139
where: short stacking energy: -266.491
Base-Backbone interact. energy: -0.805
local terms energy: -257.255408
where:
bonds (distance) C4'-P energy: -45.235
bonds (distance) P-C4' energy: -46.993
flat angles C4'-P-C4' energy: -60.787
flat angles P-C4'-P energy: -32.968
tors. eta vs tors. theta energy: -71.273
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: 9
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -852.733918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.733918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.733918 (E_RNA)
where:
Base-Base interactions energy: -601.292
where: short stacking energy: -247.571
Base-Backbone interact. energy: -0.527
local terms energy: -250.914426
where:
bonds (distance) C4'-P energy: -43.394
bonds (distance) P-C4' energy: -46.912
flat angles C4'-P-C4' energy: -57.544
flat angles P-C4'-P energy: -39.216
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: 5, replica: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -838.944416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.944416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.944416 (E_RNA)
where:
Base-Base interactions energy: -570.877
where: short stacking energy: -247.638
Base-Backbone interact. energy: -0.686
local terms energy: -267.381681
where:
bonds (distance) C4'-P energy: -50.756
bonds (distance) P-C4' energy: -47.854
flat angles C4'-P-C4' energy: -61.118
flat angles P-C4'-P energy: -37.419
tors. eta vs tors. theta energy: -70.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -754.097939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.097939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.097939 (E_RNA)
where:
Base-Base interactions energy: -516.600
where: short stacking energy: -219.663
Base-Backbone interact. energy: -1.359
local terms energy: -236.138831
where:
bonds (distance) C4'-P energy: -41.983
bonds (distance) P-C4' energy: -44.375
flat angles C4'-P-C4' energy: -54.513
flat angles P-C4'-P energy: -34.746
tors. eta vs tors. theta energy: -60.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -710.324686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.324686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.324686 (E_RNA)
where:
Base-Base interactions energy: -482.092
where: short stacking energy: -213.571
Base-Backbone interact. energy: 0.202
local terms energy: -228.434969
where:
bonds (distance) C4'-P energy: -37.354
bonds (distance) P-C4' energy: -44.006
flat angles C4'-P-C4' energy: -53.862
flat angles P-C4'-P energy: -36.672
tors. eta vs tors. theta energy: -56.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -643.336464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.336464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.336464 (E_RNA)
where:
Base-Base interactions energy: -453.020
where: short stacking energy: -182.964
Base-Backbone interact. energy: -0.145
local terms energy: -190.170931
where:
bonds (distance) C4'-P energy: -42.125
bonds (distance) P-C4' energy: -34.828
flat angles C4'-P-C4' energy: -46.817
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: -47.429
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: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -519.729655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.729655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.729655 (E_RNA)
where:
Base-Base interactions energy: -314.653
where: short stacking energy: -143.305
Base-Backbone interact. energy: -1.695
local terms energy: -203.381365
where:
bonds (distance) C4'-P energy: -43.591
bonds (distance) P-C4' energy: -58.364
flat angles C4'-P-C4' energy: -40.356
flat angles P-C4'-P energy: -34.342
tors. eta vs tors. theta energy: -26.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -284.890378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.890378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.890378 (E_RNA)
where:
Base-Base interactions energy: -137.565
where: short stacking energy: -90.111
Base-Backbone interact. energy: 0.322
local terms energy: -147.647685
where:
bonds (distance) C4'-P energy: -35.379
bonds (distance) P-C4' energy: -50.265
flat angles C4'-P-C4' energy: -40.903
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -5.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -961.515390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.515390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.515390 (E_RNA)
where:
Base-Base interactions energy: -664.464
where: short stacking energy: -287.688
Base-Backbone interact. energy: -0.900
local terms energy: -296.152003
where:
bonds (distance) C4'-P energy: -55.321
bonds (distance) P-C4' energy: -51.823
flat angles C4'-P-C4' energy: -61.234
flat angles P-C4'-P energy: -45.723
tors. eta vs tors. theta energy: -82.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -929.864646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.864646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.864646 (E_RNA)
where:
Base-Base interactions energy: -645.421
where: short stacking energy: -269.782
Base-Backbone interact. energy: 0.116
local terms energy: -284.559318
where:
bonds (distance) C4'-P energy: -46.413
bonds (distance) P-C4' energy: -55.110
flat angles C4'-P-C4' energy: -59.078
flat angles P-C4'-P energy: -43.170
tors. eta vs tors. theta energy: -80.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -854.821102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.821102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.821102 (E_RNA)
where:
Base-Base interactions energy: -587.932
where: short stacking energy: -252.246
Base-Backbone interact. energy: -1.050
local terms energy: -265.839634
where:
bonds (distance) C4'-P energy: -54.580
bonds (distance) P-C4' energy: -51.226
flat angles C4'-P-C4' energy: -54.567
flat angles P-C4'-P energy: -39.045
tors. eta vs tors. theta energy: -66.422
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: 9
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -877.235222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.235222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.235222 (E_RNA)
where:
Base-Base interactions energy: -617.488
where: short stacking energy: -250.748
Base-Backbone interact. energy: -0.693
local terms energy: -259.054611
where:
bonds (distance) C4'-P energy: -48.100
bonds (distance) P-C4' energy: -50.584
flat angles C4'-P-C4' energy: -57.058
flat angles P-C4'-P energy: -34.546
tors. eta vs tors. theta energy: -68.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -791.329156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.329156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.329156 (E_RNA)
where:
Base-Base interactions energy: -544.812
where: short stacking energy: -236.845
Base-Backbone interact. energy: 0.349
local terms energy: -246.866257
where:
bonds (distance) C4'-P energy: -56.926
bonds (distance) P-C4' energy: -43.586
flat angles C4'-P-C4' energy: -53.104
flat angles P-C4'-P energy: -31.359
tors. eta vs tors. theta energy: -61.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -786.664832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.664832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.664832 (E_RNA)
where:
Base-Base interactions energy: -532.109
where: short stacking energy: -236.116
Base-Backbone interact. energy: -0.624
local terms energy: -253.931138
where:
bonds (distance) C4'-P energy: -42.747
bonds (distance) P-C4' energy: -50.663
flat angles C4'-P-C4' energy: -48.953
flat angles P-C4'-P energy: -37.716
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: 7, replica: 6
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -717.191675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.191675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.191675 (E_RNA)
where:
Base-Base interactions energy: -469.366
where: short stacking energy: -216.223
Base-Backbone interact. energy: 2.502
local terms energy: -250.327914
where:
bonds (distance) C4'-P energy: -51.172
bonds (distance) P-C4' energy: -52.611
flat angles C4'-P-C4' energy: -51.086
flat angles P-C4'-P energy: -38.661
tors. eta vs tors. theta energy: -56.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -650.244433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.244433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.244433 (E_RNA)
where:
Base-Base interactions energy: -444.955
where: short stacking energy: -182.686
Base-Backbone interact. energy: 1.738
local terms energy: -207.027289
where:
bonds (distance) C4'-P energy: -42.051
bonds (distance) P-C4' energy: -46.237
flat angles C4'-P-C4' energy: -37.858
flat angles P-C4'-P energy: -32.024
tors. eta vs tors. theta energy: -48.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -509.102023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.102023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.102023 (E_RNA)
where:
Base-Base interactions energy: -319.256
where: short stacking energy: -146.552
Base-Backbone interact. energy: -0.804
local terms energy: -189.041452
where:
bonds (distance) C4'-P energy: -42.767
bonds (distance) P-C4' energy: -43.245
flat angles C4'-P-C4' energy: -45.098
flat angles P-C4'-P energy: -27.067
tors. eta vs tors. theta energy: -30.865
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: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -279.581822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.581822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.581822 (E_RNA)
where:
Base-Base interactions energy: -126.630
where: short stacking energy: -90.492
Base-Backbone interact. energy: 0.740
local terms energy: -153.691791
where:
bonds (distance) C4'-P energy: -46.591
bonds (distance) P-C4' energy: -43.889
flat angles C4'-P-C4' energy: -35.293
flat angles P-C4'-P energy: -28.225
tors. eta vs tors. theta energy: 0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -964.282733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.282733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.282733 (E_RNA)
where:
Base-Base interactions energy: -674.570
where: short stacking energy: -281.355
Base-Backbone interact. energy: 2.293
local terms energy: -292.006152
where:
bonds (distance) C4'-P energy: -53.097
bonds (distance) P-C4' energy: -57.697
flat angles C4'-P-C4' energy: -59.387
flat angles P-C4'-P energy: -43.162
tors. eta vs tors. theta energy: -78.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -938.654248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.654248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.654248 (E_RNA)
where:
Base-Base interactions energy: -655.579
where: short stacking energy: -278.414
Base-Backbone interact. energy: -1.425
local terms energy: -281.650647
where:
bonds (distance) C4'-P energy: -50.091
bonds (distance) P-C4' energy: -51.376
flat angles C4'-P-C4' energy: -62.322
flat angles P-C4'-P energy: -32.262
tors. eta vs tors. theta energy: -85.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -882.301306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.301306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.301306 (E_RNA)
where:
Base-Base interactions energy: -619.882
where: short stacking energy: -252.016
Base-Backbone interact. energy: 1.161
local terms energy: -263.580802
where:
bonds (distance) C4'-P energy: -44.437
bonds (distance) P-C4' energy: -53.755
flat angles C4'-P-C4' energy: -58.846
flat angles P-C4'-P energy: -36.634
tors. eta vs tors. theta energy: -69.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -829.853431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.853431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.853431 (E_RNA)
where:
Base-Base interactions energy: -560.116
where: short stacking energy: -257.090
Base-Backbone interact. energy: -1.086
local terms energy: -268.652015
where:
bonds (distance) C4'-P energy: -50.141
bonds (distance) P-C4' energy: -53.499
flat angles C4'-P-C4' energy: -52.202
flat angles P-C4'-P energy: -40.791
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: 5, replica: 2
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -819.892643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.892643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.892643 (E_RNA)
where:
Base-Base interactions energy: -563.166
where: short stacking energy: -269.296
Base-Backbone interact. energy: -0.267
local terms energy: -256.459677
where:
bonds (distance) C4'-P energy: -39.330
bonds (distance) P-C4' energy: -39.825
flat angles C4'-P-C4' energy: -63.683
flat angles P-C4'-P energy: -36.840
tors. eta vs tors. theta energy: -76.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -788.747756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.747756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.747756 (E_RNA)
where:
Base-Base interactions energy: -565.545
where: short stacking energy: -226.044
Base-Backbone interact. energy: -1.302
local terms energy: -221.900831
where:
bonds (distance) C4'-P energy: -37.235
bonds (distance) P-C4' energy: -30.778
flat angles C4'-P-C4' energy: -57.656
flat angles P-C4'-P energy: -38.457
tors. eta vs tors. theta energy: -57.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -731.799404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.799404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.799404 (E_RNA)
where:
Base-Base interactions energy: -503.279
where: short stacking energy: -219.903
Base-Backbone interact. energy: -0.154
local terms energy: -228.366570
where:
bonds (distance) C4'-P energy: -38.694
bonds (distance) P-C4' energy: -48.464
flat angles C4'-P-C4' energy: -45.116
flat angles P-C4'-P energy: -30.967
tors. eta vs tors. theta energy: -65.126
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: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -706.326937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.326937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.326937 (E_RNA)
where:
Base-Base interactions energy: -480.429
where: short stacking energy: -201.552
Base-Backbone interact. energy: -0.058
local terms energy: -225.839508
where:
bonds (distance) C4'-P energy: -45.205
bonds (distance) P-C4' energy: -48.518
flat angles C4'-P-C4' energy: -49.840
flat angles P-C4'-P energy: -32.325
tors. eta vs tors. theta energy: -49.951
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: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -600.964949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.964949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.964949 (E_RNA)
where:
Base-Base interactions energy: -392.614
where: short stacking energy: -165.599
Base-Backbone interact. energy: -1.305
local terms energy: -207.046717
where:
bonds (distance) C4'-P energy: -45.185
bonds (distance) P-C4' energy: -49.541
flat angles C4'-P-C4' energy: -47.189
flat angles P-C4'-P energy: -24.799
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: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -286.664296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.664296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.664296 (E_RNA)
where:
Base-Base interactions energy: -139.579
where: short stacking energy: -92.933
Base-Backbone interact. energy: -0.544
local terms energy: -146.541108
where:
bonds (distance) C4'-P energy: -46.583
bonds (distance) P-C4' energy: -47.939
flat angles C4'-P-C4' energy: -25.212
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -11.272
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: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -961.581933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.581933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.581933 (E_RNA)
where:
Base-Base interactions energy: -665.538
where: short stacking energy: -291.205
Base-Backbone interact. energy: -1.547
local terms energy: -294.497339
where:
bonds (distance) C4'-P energy: -57.888
bonds (distance) P-C4' energy: -47.582
flat angles C4'-P-C4' energy: -63.007
flat angles P-C4'-P energy: -42.844
tors. eta vs tors. theta energy: -83.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -953.260948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.260948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.260948 (E_RNA)
where:
Base-Base interactions energy: -658.341
where: short stacking energy: -283.103
Base-Backbone interact. energy: -0.764
local terms energy: -294.156561
where:
bonds (distance) C4'-P energy: -49.503
bonds (distance) P-C4' energy: -55.875
flat angles C4'-P-C4' energy: -65.117
flat angles P-C4'-P energy: -40.534
tors. eta vs tors. theta energy: -83.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -858.921610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.921610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.921610 (E_RNA)
where:
Base-Base interactions energy: -604.217
where: short stacking energy: -236.000
Base-Backbone interact. energy: -0.127
local terms energy: -254.576849
where:
bonds (distance) C4'-P energy: -43.989
bonds (distance) P-C4' energy: -50.615
flat angles C4'-P-C4' energy: -55.121
flat angles P-C4'-P energy: -35.228
tors. eta vs tors. theta energy: -69.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -843.271032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.271032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.271032 (E_RNA)
where:
Base-Base interactions energy: -576.803
where: short stacking energy: -269.817
Base-Backbone interact. energy: -0.837
local terms energy: -265.631153
where:
bonds (distance) C4'-P energy: -41.265
bonds (distance) P-C4' energy: -43.978
flat angles C4'-P-C4' energy: -61.297
flat angles P-C4'-P energy: -42.592
tors. eta vs tors. theta energy: -76.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -817.284619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.284619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.284619 (E_RNA)
where:
Base-Base interactions energy: -547.394
where: short stacking energy: -243.351
Base-Backbone interact. energy: -1.126
local terms energy: -268.764809
where:
bonds (distance) C4'-P energy: -44.587
bonds (distance) P-C4' energy: -51.959
flat angles C4'-P-C4' energy: -63.657
flat angles P-C4'-P energy: -30.949
tors. eta vs tors. theta energy: -77.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -791.049665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.049665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.049665 (E_RNA)
where:
Base-Base interactions energy: -539.173
where: short stacking energy: -221.177
Base-Backbone interact. energy: -0.359
local terms energy: -251.517802
where:
bonds (distance) C4'-P energy: -45.059
bonds (distance) P-C4' energy: -52.176
flat angles C4'-P-C4' energy: -47.345
flat angles P-C4'-P energy: -40.393
tors. eta vs tors. theta energy: -66.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -701.111471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.111471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.111471 (E_RNA)
where:
Base-Base interactions energy: -485.370
where: short stacking energy: -200.239
Base-Backbone interact. energy: 0.641
local terms energy: -216.381590
where:
bonds (distance) C4'-P energy: -45.648
bonds (distance) P-C4' energy: -52.385
flat angles C4'-P-C4' energy: -49.759
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -49.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -681.049825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.049825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.049825 (E_RNA)
where:
Base-Base interactions energy: -466.166
where: short stacking energy: -211.513
Base-Backbone interact. energy: 1.166
local terms energy: -216.050010
where:
bonds (distance) C4'-P energy: -46.116
bonds (distance) P-C4' energy: -46.006
flat angles C4'-P-C4' energy: -43.138
flat angles P-C4'-P energy: -33.216
tors. eta vs tors. theta energy: -47.574
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: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -599.862890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.862890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.862890 (E_RNA)
where:
Base-Base interactions energy: -384.355
where: short stacking energy: -167.352
Base-Backbone interact. energy: -0.107
local terms energy: -215.400448
where:
bonds (distance) C4'-P energy: -46.959
bonds (distance) P-C4' energy: -47.654
flat angles C4'-P-C4' energy: -39.958
flat angles P-C4'-P energy: -31.566
tors. eta vs tors. theta energy: -49.264
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: 447
Temperature: 1.350000
Total energy: -293.566522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.566522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.566522 (E_RNA)
where:
Base-Base interactions energy: -146.829
where: short stacking energy: -94.436
Base-Backbone interact. energy: -1.580
local terms energy: -145.157344
where:
bonds (distance) C4'-P energy: -42.271
bonds (distance) P-C4' energy: -41.283
flat angles C4'-P-C4' energy: -25.309
flat angles P-C4'-P energy: -27.955
tors. eta vs tors. theta energy: -8.340
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: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -949.960411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.960411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.960411 (E_RNA)
where:
Base-Base interactions energy: -666.654
where: short stacking energy: -295.525
Base-Backbone interact. energy: -0.842
local terms energy: -282.464653
where:
bonds (distance) C4'-P energy: -59.734
bonds (distance) P-C4' energy: -48.584
flat angles C4'-P-C4' energy: -61.154
flat angles P-C4'-P energy: -35.705
tors. eta vs tors. theta energy: -77.288
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: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -919.165374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.165374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.165374 (E_RNA)
where:
Base-Base interactions energy: -629.691
where: short stacking energy: -279.449
Base-Backbone interact. energy: -1.903
local terms energy: -287.571693
where:
bonds (distance) C4'-P energy: -56.783
bonds (distance) P-C4' energy: -52.777
flat angles C4'-P-C4' energy: -57.207
flat angles P-C4'-P energy: -38.755
tors. eta vs tors. theta energy: -82.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -869.473607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.473607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.473607 (E_RNA)
where:
Base-Base interactions energy: -615.373
where: short stacking energy: -246.324
Base-Backbone interact. energy: -1.793
local terms energy: -252.307545
where:
bonds (distance) C4'-P energy: -42.666
bonds (distance) P-C4' energy: -51.280
flat angles C4'-P-C4' energy: -53.037
flat angles P-C4'-P energy: -32.837
tors. eta vs tors. theta energy: -72.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -879.084629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.084629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.084629 (E_RNA)
where:
Base-Base interactions energy: -601.510
where: short stacking energy: -255.615
Base-Backbone interact. energy: -0.852
local terms energy: -276.723456
where:
bonds (distance) C4'-P energy: -51.177
bonds (distance) P-C4' energy: -58.813
flat angles C4'-P-C4' energy: -55.733
flat angles P-C4'-P energy: -34.990
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: 5, replica: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -823.430699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.430699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.430699 (E_RNA)
where:
Base-Base interactions energy: -568.677
where: short stacking energy: -229.220
Base-Backbone interact. energy: -1.291
local terms energy: -253.462842
where:
bonds (distance) C4'-P energy: -42.401
bonds (distance) P-C4' energy: -53.448
flat angles C4'-P-C4' energy: -60.757
flat angles P-C4'-P energy: -32.543
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: 6, replica: 2
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -785.720428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.720428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.720428 (E_RNA)
where:
Base-Base interactions energy: -547.407
where: short stacking energy: -239.228
Base-Backbone interact. energy: -0.473
local terms energy: -237.839834
where:
bonds (distance) C4'-P energy: -37.092
bonds (distance) P-C4' energy: -50.084
flat angles C4'-P-C4' energy: -45.532
flat angles P-C4'-P energy: -35.679
tors. eta vs tors. theta energy: -69.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -710.990978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.990978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.990978 (E_RNA)
where:
Base-Base interactions energy: -487.172
where: short stacking energy: -194.342
Base-Backbone interact. energy: -1.259
local terms energy: -222.560081
where:
bonds (distance) C4'-P energy: -47.134
bonds (distance) P-C4' energy: -51.524
flat angles C4'-P-C4' energy: -48.209
flat angles P-C4'-P energy: -16.952
tors. eta vs tors. theta energy: -58.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -672.223613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.223613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.223613 (E_RNA)
where:
Base-Base interactions energy: -445.380
where: short stacking energy: -196.147
Base-Backbone interact. energy: -0.713
local terms energy: -226.130648
where:
bonds (distance) C4'-P energy: -57.499
bonds (distance) P-C4' energy: -39.602
flat angles C4'-P-C4' energy: -51.071
flat angles P-C4'-P energy: -24.885
tors. eta vs tors. theta energy: -53.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -534.431387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.431387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.431387 (E_RNA)
where:
Base-Base interactions energy: -338.374
where: short stacking energy: -152.338
Base-Backbone interact. energy: -0.626
local terms energy: -195.430856
where:
bonds (distance) C4'-P energy: -41.979
bonds (distance) P-C4' energy: -52.503
flat angles C4'-P-C4' energy: -43.989
flat angles P-C4'-P energy: -20.117
tors. eta vs tors. theta energy: -36.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -298.709919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.709919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.709919 (E_RNA)
where:
Base-Base interactions energy: -135.559
where: short stacking energy: -84.903
Base-Backbone interact. energy: -0.907
local terms energy: -162.243838
where:
bonds (distance) C4'-P energy: -51.562
bonds (distance) P-C4' energy: -45.103
flat angles C4'-P-C4' energy: -30.740
flat angles P-C4'-P energy: -26.028
tors. eta vs tors. theta energy: -8.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -947.036408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.036408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.036408 (E_RNA)
where:
Base-Base interactions energy: -669.019
where: short stacking energy: -285.180
Base-Backbone interact. energy: 0.424
local terms energy: -278.441438
where:
bonds (distance) C4'-P energy: -51.013
bonds (distance) P-C4' energy: -51.172
flat angles C4'-P-C4' energy: -54.765
flat angles P-C4'-P energy: -43.928
tors. eta vs tors. theta energy: -77.563
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: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -937.417255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.417255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.417255 (E_RNA)
where:
Base-Base interactions energy: -656.689
where: short stacking energy: -279.417
Base-Backbone interact. energy: -0.356
local terms energy: -280.372386
where:
bonds (distance) C4'-P energy: -50.883
bonds (distance) P-C4' energy: -53.123
flat angles C4'-P-C4' energy: -51.046
flat angles P-C4'-P energy: -48.607
tors. eta vs tors. theta energy: -76.714
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: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -875.433331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.433331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.433331 (E_RNA)
where:
Base-Base interactions energy: -615.076
where: short stacking energy: -248.047
Base-Backbone interact. energy: -0.467
local terms energy: -259.890416
where:
bonds (distance) C4'-P energy: -44.944
bonds (distance) P-C4' energy: -51.878
flat angles C4'-P-C4' energy: -50.427
flat angles P-C4'-P energy: -46.001
tors. eta vs tors. theta energy: -66.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -828.657481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.657481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.657481 (E_RNA)
where:
Base-Base interactions energy: -561.170
where: short stacking energy: -220.983
Base-Backbone interact. energy: -0.598
local terms energy: -266.889584
where:
bonds (distance) C4'-P energy: -57.437
bonds (distance) P-C4' energy: -50.123
flat angles C4'-P-C4' energy: -49.023
flat angles P-C4'-P energy: -40.859
tors. eta vs tors. theta energy: -69.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -841.513346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.513346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.513346 (E_RNA)
where:
Base-Base interactions energy: -583.894
where: short stacking energy: -253.013
Base-Backbone interact. energy: -0.687
local terms energy: -256.932814
where:
bonds (distance) C4'-P energy: -51.659
bonds (distance) P-C4' energy: -42.222
flat angles C4'-P-C4' energy: -52.720
flat angles P-C4'-P energy: -38.690
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: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -732.181196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.181196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.181196 (E_RNA)
where:
Base-Base interactions energy: -506.409
where: short stacking energy: -216.877
Base-Backbone interact. energy: 3.863
local terms energy: -229.634784
where:
bonds (distance) C4'-P energy: -42.979
bonds (distance) P-C4' energy: -48.867
flat angles C4'-P-C4' energy: -53.454
flat angles P-C4'-P energy: -24.875
tors. eta vs tors. theta energy: -59.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -761.474618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.474618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.474618 (E_RNA)
where:
Base-Base interactions energy: -528.104
where: short stacking energy: -234.377
Base-Backbone interact. energy: -0.808
local terms energy: -232.562635
where:
bonds (distance) C4'-P energy: -38.629
bonds (distance) P-C4' energy: -45.030
flat angles C4'-P-C4' energy: -52.220
flat angles P-C4'-P energy: -31.857
tors. eta vs tors. theta energy: -64.825
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: 4
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -509.048807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.048807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.048807 (E_RNA)
where:
Base-Base interactions energy: -319.698
where: short stacking energy: -131.205
Base-Backbone interact. energy: -1.324
local terms energy: -188.027360
where:
bonds (distance) C4'-P energy: -40.859
bonds (distance) P-C4' energy: -47.609
flat angles C4'-P-C4' energy: -34.944
flat angles P-C4'-P energy: -35.784
tors. eta vs tors. theta energy: -28.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -655.314942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.314942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.314942 (E_RNA)
where:
Base-Base interactions energy: -442.921
where: short stacking energy: -203.906
Base-Backbone interact. energy: -0.638
local terms energy: -211.755866
where:
bonds (distance) C4'-P energy: -47.686
bonds (distance) P-C4' energy: -45.624
flat angles C4'-P-C4' energy: -49.614
flat angles P-C4'-P energy: -21.973
tors. eta vs tors. theta energy: -46.859
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: 449
Temperature: 1.350000
Total energy: -294.902934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.902934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.902934 (E_RNA)
where:
Base-Base interactions energy: -122.814
where: short stacking energy: -74.037
Base-Backbone interact. energy: 5.221
local terms energy: -177.310399
where:
bonds (distance) C4'-P energy: -42.308
bonds (distance) P-C4' energy: -57.011
flat angles C4'-P-C4' energy: -41.475
flat angles P-C4'-P energy: -32.714
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -949.038358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.038358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.038358 (E_RNA)
where:
Base-Base interactions energy: -667.260
where: short stacking energy: -293.027
Base-Backbone interact. energy: 0.665
local terms energy: -282.443432
where:
bonds (distance) C4'-P energy: -48.671
bonds (distance) P-C4' energy: -43.791
flat angles C4'-P-C4' energy: -62.870
flat angles P-C4'-P energy: -40.505
tors. eta vs tors. theta energy: -86.606
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: 450
Temperature: 0.950000
Total energy: -940.351857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.351857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.351857 (E_RNA)
where:
Base-Base interactions energy: -644.808
where: short stacking energy: -285.795
Base-Backbone interact. energy: -1.427
local terms energy: -294.117168
where:
bonds (distance) C4'-P energy: -53.793
bonds (distance) P-C4' energy: -56.266
flat angles C4'-P-C4' energy: -51.789
flat angles P-C4'-P energy: -42.962
tors. eta vs tors. theta energy: -89.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -844.099716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.099716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.099716 (E_RNA)
where:
Base-Base interactions energy: -588.500
where: short stacking energy: -235.299
Base-Backbone interact. energy: 0.216
local terms energy: -255.815586
where:
bonds (distance) C4'-P energy: -49.903
bonds (distance) P-C4' energy: -52.219
flat angles C4'-P-C4' energy: -51.195
flat angles P-C4'-P energy: -40.010
tors. eta vs tors. theta energy: -62.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -840.119777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.119777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.119777 (E_RNA)
where:
Base-Base interactions energy: -582.962
where: short stacking energy: -255.579
Base-Backbone interact. energy: 0.807
local terms energy: -257.964429
where:
bonds (distance) C4'-P energy: -53.755
bonds (distance) P-C4' energy: -42.102
flat angles C4'-P-C4' energy: -56.787
flat angles P-C4'-P energy: -31.954
tors. eta vs tors. theta energy: -73.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -831.044549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.044549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.044549 (E_RNA)
where:
Base-Base interactions energy: -571.421
where: short stacking energy: -252.237
Base-Backbone interact. energy: -0.962
local terms energy: -258.661279
where:
bonds (distance) C4'-P energy: -54.429
bonds (distance) P-C4' energy: -46.431
flat angles C4'-P-C4' energy: -46.179
flat angles P-C4'-P energy: -39.540
tors. eta vs tors. theta energy: -72.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -735.870145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.870145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.870145 (E_RNA)
where:
Base-Base interactions energy: -497.136
where: short stacking energy: -210.682
Base-Backbone interact. energy: -1.164
local terms energy: -237.569325
where:
bonds (distance) C4'-P energy: -39.945
bonds (distance) P-C4' energy: -45.506
flat angles C4'-P-C4' energy: -58.761
flat angles P-C4'-P energy: -38.454
tors. eta vs tors. theta energy: -54.904
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: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -759.098757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.098757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.098757 (E_RNA)
where:
Base-Base interactions energy: -515.165
where: short stacking energy: -237.456
Base-Backbone interact. energy: -1.605
local terms energy: -242.328858
where:
bonds (distance) C4'-P energy: -41.395
bonds (distance) P-C4' energy: -58.763
flat angles C4'-P-C4' energy: -44.793
flat angles P-C4'-P energy: -28.100
tors. eta vs tors. theta energy: -69.278
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: 4
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -508.299444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.299444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.299444 (E_RNA)
where:
Base-Base interactions energy: -314.117
where: short stacking energy: -143.169
Base-Backbone interact. energy: -0.976
local terms energy: -193.205920
where:
bonds (distance) C4'-P energy: -40.261
bonds (distance) P-C4' energy: -41.740
flat angles C4'-P-C4' energy: -53.107
flat angles P-C4'-P energy: -32.831
tors. eta vs tors. theta energy: -25.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -653.167038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.167038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.167038 (E_RNA)
where:
Base-Base interactions energy: -428.706
where: short stacking energy: -182.091
Base-Backbone interact. energy: -0.307
local terms energy: -224.154167
where:
bonds (distance) C4'-P energy: -39.531
bonds (distance) P-C4' energy: -49.456
flat angles C4'-P-C4' energy: -57.055
flat angles P-C4'-P energy: -36.985
tors. eta vs tors. theta energy: -41.127
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: 10, replica: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -289.805881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.805881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.805881 (E_RNA)
where:
Base-Base interactions energy: -151.602
where: short stacking energy: -82.127
Base-Backbone interact. energy: -0.743
local terms energy: -137.460570
where:
bonds (distance) C4'-P energy: -39.138
bonds (distance) P-C4' energy: -48.313
flat angles C4'-P-C4' energy: -38.339
flat angles P-C4'-P energy: -19.431
tors. eta vs tors. theta energy: 7.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -955.368505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.368505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.368505 (E_RNA)
where:
Base-Base interactions energy: -668.569
where: short stacking energy: -289.277
Base-Backbone interact. energy: -1.208
local terms energy: -285.591239
where:
bonds (distance) C4'-P energy: -46.596
bonds (distance) P-C4' energy: -54.752
flat angles C4'-P-C4' energy: -61.145
flat angles P-C4'-P energy: -40.046
tors. eta vs tors. theta energy: -83.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -947.379471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.379471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.379471 (E_RNA)
where:
Base-Base interactions energy: -660.079
where: short stacking energy: -289.284
Base-Backbone interact. energy: -0.559
local terms energy: -286.741839
where:
bonds (distance) C4'-P energy: -49.541
bonds (distance) P-C4' energy: -45.642
flat angles C4'-P-C4' energy: -60.390
flat angles P-C4'-P energy: -47.543
tors. eta vs tors. theta energy: -83.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -834.017291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.017291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.017291 (E_RNA)
where:
Base-Base interactions energy: -570.263
where: short stacking energy: -245.699
Base-Backbone interact. energy: -1.500
local terms energy: -262.254560
where:
bonds (distance) C4'-P energy: -46.793
bonds (distance) P-C4' energy: -53.475
flat angles C4'-P-C4' energy: -52.555
flat angles P-C4'-P energy: -40.821
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: 4, replica: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -875.136273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.136273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.136273 (E_RNA)
where:
Base-Base interactions energy: -605.585
where: short stacking energy: -259.626
Base-Backbone interact. energy: -0.234
local terms energy: -269.316812
where:
bonds (distance) C4'-P energy: -44.807
bonds (distance) P-C4' energy: -53.724
flat angles C4'-P-C4' energy: -53.049
flat angles P-C4'-P energy: -34.947
tors. eta vs tors. theta energy: -82.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -787.451172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.451172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.451172 (E_RNA)
where:
Base-Base interactions energy: -543.101
where: short stacking energy: -240.250
Base-Backbone interact. energy: -1.280
local terms energy: -243.070221
where:
bonds (distance) C4'-P energy: -40.999
bonds (distance) P-C4' energy: -55.529
flat angles C4'-P-C4' energy: -48.887
flat angles P-C4'-P energy: -34.568
tors. eta vs tors. theta energy: -63.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -760.704699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.704699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.704699 (E_RNA)
where:
Base-Base interactions energy: -522.098
where: short stacking energy: -213.525
Base-Backbone interact. energy: -1.473
local terms energy: -237.133021
where:
bonds (distance) C4'-P energy: -45.417
bonds (distance) P-C4' energy: -39.319
flat angles C4'-P-C4' energy: -48.897
flat angles P-C4'-P energy: -40.435
tors. eta vs tors. theta energy: -63.064
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: 2
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -754.434400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.434400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.434400 (E_RNA)
where:
Base-Base interactions energy: -539.462
where: short stacking energy: -223.934
Base-Backbone interact. energy: 5.027
local terms energy: -219.999615
where:
bonds (distance) C4'-P energy: -31.369
bonds (distance) P-C4' energy: -41.915
flat angles C4'-P-C4' energy: -54.285
flat angles P-C4'-P energy: -36.133
tors. eta vs tors. theta energy: -56.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -623.747216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.747216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.747216 (E_RNA)
where:
Base-Base interactions energy: -409.473
where: short stacking energy: -179.329
Base-Backbone interact. energy: -0.529
local terms energy: -213.745535
where:
bonds (distance) C4'-P energy: -34.753
bonds (distance) P-C4' energy: -39.781
flat angles C4'-P-C4' energy: -50.435
flat angles P-C4'-P energy: -39.061
tors. eta vs tors. theta energy: -49.715
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: 9, replica: 4
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -499.643262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.643262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.643262 (E_RNA)
where:
Base-Base interactions energy: -318.675
where: short stacking energy: -153.221
Base-Backbone interact. energy: 0.748
local terms energy: -181.716108
where:
bonds (distance) C4'-P energy: -36.583
bonds (distance) P-C4' energy: -40.350
flat angles C4'-P-C4' energy: -44.720
flat angles P-C4'-P energy: -25.031
tors. eta vs tors. theta energy: -35.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -269.449278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.449278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.449278 (E_RNA)
where:
Base-Base interactions energy: -120.924
where: short stacking energy: -74.442
Base-Backbone interact. energy: -1.276
local terms energy: -147.249469
where:
bonds (distance) C4'-P energy: -45.370
bonds (distance) P-C4' energy: -43.588
flat angles C4'-P-C4' energy: -41.629
flat angles P-C4'-P energy: -25.097
tors. eta vs tors. theta energy: 8.434
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: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -942.028787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.028787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.028787 (E_RNA)
where:
Base-Base interactions energy: -653.220
where: short stacking energy: -289.155
Base-Backbone interact. energy: -0.435
local terms energy: -288.373451
where:
bonds (distance) C4'-P energy: -45.883
bonds (distance) P-C4' energy: -52.635
flat angles C4'-P-C4' energy: -65.335
flat angles P-C4'-P energy: -39.444
tors. eta vs tors. theta energy: -85.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -951.750971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.750971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.750971 (E_RNA)
where:
Base-Base interactions energy: -656.966
where: short stacking energy: -302.091
Base-Backbone interact. energy: -2.095
local terms energy: -292.689813
where:
bonds (distance) C4'-P energy: -46.340
bonds (distance) P-C4' energy: -48.898
flat angles C4'-P-C4' energy: -64.142
flat angles P-C4'-P energy: -44.881
tors. eta vs tors. theta energy: -88.428
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: 3, replica: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -883.039781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.039781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.039781 (E_RNA)
where:
Base-Base interactions energy: -609.061
where: short stacking energy: -246.804
Base-Backbone interact. energy: 0.480
local terms energy: -274.459435
where:
bonds (distance) C4'-P energy: -52.782
bonds (distance) P-C4' energy: -55.017
flat angles C4'-P-C4' energy: -55.740
flat angles P-C4'-P energy: -40.773
tors. eta vs tors. theta energy: -70.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -841.751047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.751047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.751047 (E_RNA)
where:
Base-Base interactions energy: -584.932
where: short stacking energy: -259.261
Base-Backbone interact. energy: -0.010
local terms energy: -256.808451
where:
bonds (distance) C4'-P energy: -44.370
bonds (distance) P-C4' energy: -48.423
flat angles C4'-P-C4' energy: -60.462
flat angles P-C4'-P energy: -35.346
tors. eta vs tors. theta energy: -68.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -816.130724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.130724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.130724 (E_RNA)
where:
Base-Base interactions energy: -564.258
where: short stacking energy: -232.698
Base-Backbone interact. energy: -0.659
local terms energy: -251.213337
where:
bonds (distance) C4'-P energy: -44.972
bonds (distance) P-C4' energy: -47.631
flat angles C4'-P-C4' energy: -57.033
flat angles P-C4'-P energy: -42.640
tors. eta vs tors. theta energy: -58.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -758.327687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.327687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.327687 (E_RNA)
where:
Base-Base interactions energy: -523.641
where: short stacking energy: -226.139
Base-Backbone interact. energy: 0.419
local terms energy: -235.105450
where:
bonds (distance) C4'-P energy: -52.364
bonds (distance) P-C4' energy: -41.291
flat angles C4'-P-C4' energy: -38.304
flat angles P-C4'-P energy: -35.495
tors. eta vs tors. theta energy: -67.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -736.084284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.084284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.084284 (E_RNA)
where:
Base-Base interactions energy: -514.840
where: short stacking energy: -211.656
Base-Backbone interact. energy: -1.706
local terms energy: -219.537670
where:
bonds (distance) C4'-P energy: -44.415
bonds (distance) P-C4' energy: -49.036
flat angles C4'-P-C4' energy: -43.924
flat angles P-C4'-P energy: -31.070
tors. eta vs tors. theta energy: -51.092
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: 452
Temperature: 1.250000
Total energy: -636.296839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.296839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.296839 (E_RNA)
where:
Base-Base interactions energy: -425.889
where: short stacking energy: -192.260
Base-Backbone interact. energy: 0.682
local terms energy: -211.089321
where:
bonds (distance) C4'-P energy: -45.917
bonds (distance) P-C4' energy: -46.234
flat angles C4'-P-C4' energy: -49.957
flat angles P-C4'-P energy: -18.615
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: 9, replica: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -530.336130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.336130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.336130 (E_RNA)
where:
Base-Base interactions energy: -347.804
where: short stacking energy: -150.274
Base-Backbone interact. energy: 0.056
local terms energy: -182.587657
where:
bonds (distance) C4'-P energy: -42.095
bonds (distance) P-C4' energy: -35.361
flat angles C4'-P-C4' energy: -36.606
flat angles P-C4'-P energy: -36.146
tors. eta vs tors. theta energy: -32.378
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: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -291.588767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.588767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.588767 (E_RNA)
where:
Base-Base interactions energy: -142.729
where: short stacking energy: -78.480
Base-Backbone interact. energy: 0.882
local terms energy: -149.741386
where:
bonds (distance) C4'-P energy: -43.746
bonds (distance) P-C4' energy: -44.434
flat angles C4'-P-C4' energy: -41.589
flat angles P-C4'-P energy: -20.620
tors. eta vs tors. theta energy: 0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -950.742956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.742956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.742956 (E_RNA)
where:
Base-Base interactions energy: -652.601
where: short stacking energy: -275.685
Base-Backbone interact. energy: -0.387
local terms energy: -297.755261
where:
bonds (distance) C4'-P energy: -55.549
bonds (distance) P-C4' energy: -57.805
flat angles C4'-P-C4' energy: -63.609
flat angles P-C4'-P energy: -39.564
tors. eta vs tors. theta energy: -81.227
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: 1
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -934.711489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.711489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.711489 (E_RNA)
where:
Base-Base interactions energy: -644.647
where: short stacking energy: -284.716
Base-Backbone interact. energy: -0.348
local terms energy: -289.717061
where:
bonds (distance) C4'-P energy: -44.745
bonds (distance) P-C4' energy: -60.765
flat angles C4'-P-C4' energy: -62.389
flat angles P-C4'-P energy: -29.604
tors. eta vs tors. theta energy: -92.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -885.451313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.451313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.451313 (E_RNA)
where:
Base-Base interactions energy: -612.442
where: short stacking energy: -250.492
Base-Backbone interact. energy: -0.346
local terms energy: -272.662603
where:
bonds (distance) C4'-P energy: -57.863
bonds (distance) P-C4' energy: -51.283
flat angles C4'-P-C4' energy: -56.507
flat angles P-C4'-P energy: -40.572
tors. eta vs tors. theta energy: -66.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -866.554936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.554936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.554936 (E_RNA)
where:
Base-Base interactions energy: -600.745
where: short stacking energy: -268.545
Base-Backbone interact. energy: -1.408
local terms energy: -264.401901
where:
bonds (distance) C4'-P energy: -36.473
bonds (distance) P-C4' energy: -52.795
flat angles C4'-P-C4' energy: -57.522
flat angles P-C4'-P energy: -40.536
tors. eta vs tors. theta energy: -77.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -832.402062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.402062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.402062 (E_RNA)
where:
Base-Base interactions energy: -575.760
where: short stacking energy: -239.504
Base-Backbone interact. energy: -0.077
local terms energy: -256.564753
where:
bonds (distance) C4'-P energy: -51.109
bonds (distance) P-C4' energy: -47.501
flat angles C4'-P-C4' energy: -53.467
flat angles P-C4'-P energy: -36.184
tors. eta vs tors. theta energy: -68.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -758.752513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.752513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.752513 (E_RNA)
where:
Base-Base interactions energy: -514.649
where: short stacking energy: -215.457
Base-Backbone interact. energy: 0.919
local terms energy: -245.021818
where:
bonds (distance) C4'-P energy: -51.281
bonds (distance) P-C4' energy: -52.264
flat angles C4'-P-C4' energy: -45.918
flat angles P-C4'-P energy: -34.907
tors. eta vs tors. theta energy: -60.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -737.653166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.653166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.653166 (E_RNA)
where:
Base-Base interactions energy: -511.191
where: short stacking energy: -207.735
Base-Backbone interact. energy: 2.463
local terms energy: -228.925453
where:
bonds (distance) C4'-P energy: -48.803
bonds (distance) P-C4' energy: -52.505
flat angles C4'-P-C4' energy: -50.079
flat angles P-C4'-P energy: -30.710
tors. eta vs tors. theta energy: -46.828
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: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -647.628691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.628691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.628691 (E_RNA)
where:
Base-Base interactions energy: -440.173
where: short stacking energy: -202.810
Base-Backbone interact. energy: 0.102
local terms energy: -207.557603
where:
bonds (distance) C4'-P energy: -34.903
bonds (distance) P-C4' energy: -49.402
flat angles C4'-P-C4' energy: -50.819
flat angles P-C4'-P energy: -27.897
tors. eta vs tors. theta energy: -44.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -494.738052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.738052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.738052 (E_RNA)
where:
Base-Base interactions energy: -304.157
where: short stacking energy: -147.920
Base-Backbone interact. energy: -0.741
local terms energy: -189.839700
where:
bonds (distance) C4'-P energy: -46.568
bonds (distance) P-C4' energy: -50.741
flat angles C4'-P-C4' energy: -42.901
flat angles P-C4'-P energy: -27.877
tors. eta vs tors. theta energy: -21.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -285.931195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.931195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.931195 (E_RNA)
where:
Base-Base interactions energy: -130.708
where: short stacking energy: -88.249
Base-Backbone interact. energy: 1.681
local terms energy: -156.903973
where:
bonds (distance) C4'-P energy: -40.086
bonds (distance) P-C4' energy: -46.104
flat angles C4'-P-C4' energy: -53.918
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -1.531
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: 3
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -966.124471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.124471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.124471 (E_RNA)
where:
Base-Base interactions energy: -668.675
where: short stacking energy: -288.997
Base-Backbone interact. energy: 1.467
local terms energy: -298.916071
where:
bonds (distance) C4'-P energy: -49.744
bonds (distance) P-C4' energy: -54.220
flat angles C4'-P-C4' energy: -64.143
flat angles P-C4'-P energy: -43.150
tors. eta vs tors. theta energy: -87.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -942.339539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.339539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.339539 (E_RNA)
where:
Base-Base interactions energy: -641.394
where: short stacking energy: -286.041
Base-Backbone interact. energy: -1.208
local terms energy: -299.737604
where:
bonds (distance) C4'-P energy: -50.097
bonds (distance) P-C4' energy: -55.851
flat angles C4'-P-C4' energy: -58.249
flat angles P-C4'-P energy: -43.090
tors. eta vs tors. theta energy: -92.451
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: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -883.374519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.374519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.374519 (E_RNA)
where:
Base-Base interactions energy: -613.813
where: short stacking energy: -258.751
Base-Backbone interact. energy: -0.919
local terms energy: -268.642003
where:
bonds (distance) C4'-P energy: -54.261
bonds (distance) P-C4' energy: -50.415
flat angles C4'-P-C4' energy: -49.830
flat angles P-C4'-P energy: -44.587
tors. eta vs tors. theta energy: -69.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -823.879026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.879026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.879026 (E_RNA)
where:
Base-Base interactions energy: -573.271
where: short stacking energy: -256.776
Base-Backbone interact. energy: -1.447
local terms energy: -249.160724
where:
bonds (distance) C4'-P energy: -44.259
bonds (distance) P-C4' energy: -44.371
flat angles C4'-P-C4' energy: -50.962
flat angles P-C4'-P energy: -32.394
tors. eta vs tors. theta energy: -77.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -839.492174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.492174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.492174 (E_RNA)
where:
Base-Base interactions energy: -580.615
where: short stacking energy: -242.819
Base-Backbone interact. energy: -1.353
local terms energy: -257.523853
where:
bonds (distance) C4'-P energy: -44.601
bonds (distance) P-C4' energy: -42.364
flat angles C4'-P-C4' energy: -60.107
flat angles P-C4'-P energy: -40.109
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: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -752.683095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.683095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.683095 (E_RNA)
where:
Base-Base interactions energy: -513.099
where: short stacking energy: -213.977
Base-Backbone interact. energy: -1.367
local terms energy: -238.217323
where:
bonds (distance) C4'-P energy: -37.840
bonds (distance) P-C4' energy: -47.669
flat angles C4'-P-C4' energy: -53.301
flat angles P-C4'-P energy: -32.385
tors. eta vs tors. theta energy: -67.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -662.094138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.094138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.094138 (E_RNA)
where:
Base-Base interactions energy: -447.218
where: short stacking energy: -181.744
Base-Backbone interact. energy: -1.634
local terms energy: -213.242160
where:
bonds (distance) C4'-P energy: -43.608
bonds (distance) P-C4' energy: -49.709
flat angles C4'-P-C4' energy: -44.230
flat angles P-C4'-P energy: -31.708
tors. eta vs tors. theta energy: -43.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -706.321754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.321754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.321754 (E_RNA)
where:
Base-Base interactions energy: -459.390
where: short stacking energy: -195.794
Base-Backbone interact. energy: -0.018
local terms energy: -246.913047
where:
bonds (distance) C4'-P energy: -52.109
bonds (distance) P-C4' energy: -49.652
flat angles C4'-P-C4' energy: -50.808
flat angles P-C4'-P energy: -37.757
tors. eta vs tors. theta energy: -56.586
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: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -533.576413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.576413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.576413 (E_RNA)
where:
Base-Base interactions energy: -338.628
where: short stacking energy: -161.681
Base-Backbone interact. energy: 2.363
local terms energy: -197.311701
where:
bonds (distance) C4'-P energy: -35.555
bonds (distance) P-C4' energy: -43.468
flat angles C4'-P-C4' energy: -42.787
flat angles P-C4'-P energy: -30.621
tors. eta vs tors. theta energy: -44.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -283.947996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.947996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.947996 (E_RNA)
where:
Base-Base interactions energy: -137.680
where: short stacking energy: -76.263
Base-Backbone interact. energy: -0.346
local terms energy: -145.921663
where:
bonds (distance) C4'-P energy: -39.497
bonds (distance) P-C4' energy: -40.945
flat angles C4'-P-C4' energy: -46.286
flat angles P-C4'-P energy: -20.608
tors. eta vs tors. theta energy: 1.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -946.132501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.132501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.132501 (E_RNA)
where:
Base-Base interactions energy: -659.534
where: short stacking energy: -293.608
Base-Backbone interact. energy: 3.781
local terms energy: -290.379105
where:
bonds (distance) C4'-P energy: -53.130
bonds (distance) P-C4' energy: -47.774
flat angles C4'-P-C4' energy: -58.633
flat angles P-C4'-P energy: -49.019
tors. eta vs tors. theta energy: -81.823
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: 455
Temperature: 0.950000
Total energy: -947.980090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.980090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.980090 (E_RNA)
where:
Base-Base interactions energy: -660.515
where: short stacking energy: -283.449
Base-Backbone interact. energy: -1.129
local terms energy: -286.336544
where:
bonds (distance) C4'-P energy: -39.891
bonds (distance) P-C4' energy: -51.932
flat angles C4'-P-C4' energy: -59.291
flat angles P-C4'-P energy: -43.267
tors. eta vs tors. theta energy: -91.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -879.697617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.697617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.697617 (E_RNA)
where:
Base-Base interactions energy: -606.715
where: short stacking energy: -242.074
Base-Backbone interact. energy: -0.535
local terms energy: -272.447273
where:
bonds (distance) C4'-P energy: -57.555
bonds (distance) P-C4' energy: -56.033
flat angles C4'-P-C4' energy: -46.295
flat angles P-C4'-P energy: -46.030
tors. eta vs tors. theta energy: -66.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -830.018991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.018991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.018991 (E_RNA)
where:
Base-Base interactions energy: -571.009
where: short stacking energy: -248.276
Base-Backbone interact. energy: -0.622
local terms energy: -258.387874
where:
bonds (distance) C4'-P energy: -45.317
bonds (distance) P-C4' energy: -51.502
flat angles C4'-P-C4' energy: -49.348
flat angles P-C4'-P energy: -38.753
tors. eta vs tors. theta energy: -73.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -822.416211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.416211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.416211 (E_RNA)
where:
Base-Base interactions energy: -568.258
where: short stacking energy: -234.535
Base-Backbone interact. energy: -0.729
local terms energy: -253.428970
where:
bonds (distance) C4'-P energy: -47.715
bonds (distance) P-C4' energy: -51.303
flat angles C4'-P-C4' energy: -53.617
flat angles P-C4'-P energy: -39.268
tors. eta vs tors. theta energy: -61.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -772.340117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.340117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.340117 (E_RNA)
where:
Base-Base interactions energy: -545.018
where: short stacking energy: -229.257
Base-Backbone interact. energy: -0.175
local terms energy: -227.146710
where:
bonds (distance) C4'-P energy: -41.924
bonds (distance) P-C4' energy: -47.438
flat angles C4'-P-C4' energy: -51.213
flat angles P-C4'-P energy: -28.902
tors. eta vs tors. theta energy: -57.670
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: 455
Temperature: 1.200000
Total energy: -653.485626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.485626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.485626 (E_RNA)
where:
Base-Base interactions energy: -432.345
where: short stacking energy: -196.216
Base-Backbone interact. energy: -0.279
local terms energy: -220.861348
where:
bonds (distance) C4'-P energy: -50.572
bonds (distance) P-C4' energy: -38.490
flat angles C4'-P-C4' energy: -44.466
flat angles P-C4'-P energy: -38.751
tors. eta vs tors. theta energy: -48.583
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: 8, replica: 2
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -680.668314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.668314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.668314 (E_RNA)
where:
Base-Base interactions energy: -458.246
where: short stacking energy: -188.340
Base-Backbone interact. energy: -1.118
local terms energy: -221.303731
where:
bonds (distance) C4'-P energy: -40.296
bonds (distance) P-C4' energy: -52.785
flat angles C4'-P-C4' energy: -43.572
flat angles P-C4'-P energy: -27.175
tors. eta vs tors. theta energy: -57.475
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: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -519.628236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.628236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.628236 (E_RNA)
where:
Base-Base interactions energy: -337.208
where: short stacking energy: -159.846
Base-Backbone interact. energy: -0.412
local terms energy: -182.007405
where:
bonds (distance) C4'-P energy: -44.923
bonds (distance) P-C4' energy: -40.215
flat angles C4'-P-C4' energy: -35.935
flat angles P-C4'-P energy: -26.073
tors. eta vs tors. theta energy: -34.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -279.138858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.138858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.138858 (E_RNA)
where:
Base-Base interactions energy: -121.496
where: short stacking energy: -70.803
Base-Backbone interact. energy: 0.030
local terms energy: -157.672908
where:
bonds (distance) C4'-P energy: -38.252
bonds (distance) P-C4' energy: -44.287
flat angles C4'-P-C4' energy: -49.464
flat angles P-C4'-P energy: -23.915
tors. eta vs tors. theta energy: -1.754
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: 1
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -958.636654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.636654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.636654 (E_RNA)
where:
Base-Base interactions energy: -671.222
where: short stacking energy: -299.635
Base-Backbone interact. energy: 1.124
local terms energy: -288.538795
where:
bonds (distance) C4'-P energy: -51.373
bonds (distance) P-C4' energy: -46.659
flat angles C4'-P-C4' energy: -60.770
flat angles P-C4'-P energy: -48.087
tors. eta vs tors. theta energy: -81.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -937.223122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.223122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.223122 (E_RNA)
where:
Base-Base interactions energy: -647.446
where: short stacking energy: -282.574
Base-Backbone interact. energy: -0.135
local terms energy: -289.642825
where:
bonds (distance) C4'-P energy: -52.014
bonds (distance) P-C4' energy: -44.525
flat angles C4'-P-C4' energy: -58.799
flat angles P-C4'-P energy: -49.103
tors. eta vs tors. theta energy: -85.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -897.137306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.137306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.137306 (E_RNA)
where:
Base-Base interactions energy: -628.540
where: short stacking energy: -253.011
Base-Backbone interact. energy: -0.157
local terms energy: -268.440679
where:
bonds (distance) C4'-P energy: -50.600
bonds (distance) P-C4' energy: -44.885
flat angles C4'-P-C4' energy: -56.923
flat angles P-C4'-P energy: -41.923
tors. eta vs tors. theta energy: -74.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -834.254574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.254574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.254574 (E_RNA)
where:
Base-Base interactions energy: -574.513
where: short stacking energy: -247.202
Base-Backbone interact. energy: -0.997
local terms energy: -258.745052
where:
bonds (distance) C4'-P energy: -53.619
bonds (distance) P-C4' energy: -47.159
flat angles C4'-P-C4' energy: -51.466
flat angles P-C4'-P energy: -32.560
tors. eta vs tors. theta energy: -73.942
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: 5, replica: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -822.867869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.867869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.867869 (E_RNA)
where:
Base-Base interactions energy: -566.756
where: short stacking energy: -241.951
Base-Backbone interact. energy: -2.114
local terms energy: -253.997496
where:
bonds (distance) C4'-P energy: -56.487
bonds (distance) P-C4' energy: -43.950
flat angles C4'-P-C4' energy: -54.969
flat angles P-C4'-P energy: -26.859
tors. eta vs tors. theta energy: -71.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -745.029481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.029481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.029481 (E_RNA)
where:
Base-Base interactions energy: -506.255
where: short stacking energy: -222.239
Base-Backbone interact. energy: -0.186
local terms energy: -238.588583
where:
bonds (distance) C4'-P energy: -39.113
bonds (distance) P-C4' energy: -53.244
flat angles C4'-P-C4' energy: -54.768
flat angles P-C4'-P energy: -28.206
tors. eta vs tors. theta energy: -63.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -709.828451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.828451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.828451 (E_RNA)
where:
Base-Base interactions energy: -482.189
where: short stacking energy: -197.478
Base-Backbone interact. energy: -0.472
local terms energy: -227.166789
where:
bonds (distance) C4'-P energy: -46.346
bonds (distance) P-C4' energy: -45.544
flat angles C4'-P-C4' energy: -49.612
flat angles P-C4'-P energy: -29.188
tors. eta vs tors. theta energy: -56.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -672.832741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.832741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.832741 (E_RNA)
where:
Base-Base interactions energy: -458.947
where: short stacking energy: -187.368
Base-Backbone interact. energy: -0.998
local terms energy: -212.888348
where:
bonds (distance) C4'-P energy: -50.878
bonds (distance) P-C4' energy: -22.288
flat angles C4'-P-C4' energy: -49.051
flat angles P-C4'-P energy: -38.341
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: 9, replica: 4
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -562.978167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.978167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.978167 (E_RNA)
where:
Base-Base interactions energy: -357.982
where: short stacking energy: -159.756
Base-Backbone interact. energy: -1.076
local terms energy: -203.920144
where:
bonds (distance) C4'-P energy: -40.975
bonds (distance) P-C4' energy: -45.380
flat angles C4'-P-C4' energy: -40.662
flat angles P-C4'-P energy: -40.619
tors. eta vs tors. theta energy: -36.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -281.180461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.180461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.180461 (E_RNA)
where:
Base-Base interactions energy: -128.960
where: short stacking energy: -83.252
Base-Backbone interact. energy: -0.618
local terms energy: -151.602654
where:
bonds (distance) C4'-P energy: -45.323
bonds (distance) P-C4' energy: -29.891
flat angles C4'-P-C4' energy: -41.113
flat angles P-C4'-P energy: -26.799
tors. eta vs tors. theta energy: -8.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -973.888652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.888652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.888652 (E_RNA)
where:
Base-Base interactions energy: -661.526
where: short stacking energy: -297.310
Base-Backbone interact. energy: -1.656
local terms energy: -310.706838
where:
bonds (distance) C4'-P energy: -56.869
bonds (distance) P-C4' energy: -56.746
flat angles C4'-P-C4' energy: -60.140
flat angles P-C4'-P energy: -43.607
tors. eta vs tors. theta energy: -93.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -945.172245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.172245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.172245 (E_RNA)
where:
Base-Base interactions energy: -643.215
where: short stacking energy: -280.132
Base-Backbone interact. energy: -0.267
local terms energy: -301.690053
where:
bonds (distance) C4'-P energy: -55.790
bonds (distance) P-C4' energy: -57.223
flat angles C4'-P-C4' energy: -58.590
flat angles P-C4'-P energy: -44.602
tors. eta vs tors. theta energy: -85.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -883.881394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.881394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.881394 (E_RNA)
where:
Base-Base interactions energy: -625.622
where: short stacking energy: -248.249
Base-Backbone interact. energy: -1.085
local terms energy: -257.174358
where:
bonds (distance) C4'-P energy: -52.837
bonds (distance) P-C4' energy: -47.220
flat angles C4'-P-C4' energy: -48.135
flat angles P-C4'-P energy: -38.358
tors. eta vs tors. theta energy: -70.624
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: 8
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -846.412705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.412705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.412705 (E_RNA)
where:
Base-Base interactions energy: -573.829
where: short stacking energy: -243.432
Base-Backbone interact. energy: -0.667
local terms energy: -271.917226
where:
bonds (distance) C4'-P energy: -44.134
bonds (distance) P-C4' energy: -56.504
flat angles C4'-P-C4' energy: -58.505
flat angles P-C4'-P energy: -38.632
tors. eta vs tors. theta energy: -74.143
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: 5
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -766.982524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.982524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.982524 (E_RNA)
where:
Base-Base interactions energy: -524.788
where: short stacking energy: -239.757
Base-Backbone interact. energy: -0.197
local terms energy: -241.997677
where:
bonds (distance) C4'-P energy: -38.774
bonds (distance) P-C4' energy: -47.275
flat angles C4'-P-C4' energy: -50.139
flat angles P-C4'-P energy: -38.262
tors. eta vs tors. theta energy: -67.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -755.690912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.690912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.690912 (E_RNA)
where:
Base-Base interactions energy: -520.660
where: short stacking energy: -224.289
Base-Backbone interact. energy: -0.107
local terms energy: -234.924344
where:
bonds (distance) C4'-P energy: -37.247
bonds (distance) P-C4' energy: -48.186
flat angles C4'-P-C4' energy: -53.887
flat angles P-C4'-P energy: -37.393
tors. eta vs tors. theta energy: -58.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -678.891785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.891785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.891785 (E_RNA)
where:
Base-Base interactions energy: -466.266
where: short stacking energy: -185.293
Base-Backbone interact. energy: 0.556
local terms energy: -213.182348
where:
bonds (distance) C4'-P energy: -39.394
bonds (distance) P-C4' energy: -48.281
flat angles C4'-P-C4' energy: -49.929
flat angles P-C4'-P energy: -30.838
tors. eta vs tors. theta energy: -44.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -660.716350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.716350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.716350 (E_RNA)
where:
Base-Base interactions energy: -443.363
where: short stacking energy: -193.569
Base-Backbone interact. energy: -0.852
local terms energy: -216.500639
where:
bonds (distance) C4'-P energy: -47.285
bonds (distance) P-C4' energy: -53.088
flat angles C4'-P-C4' energy: -49.027
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -47.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -573.598205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.598205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.598205 (E_RNA)
where:
Base-Base interactions energy: -375.361
where: short stacking energy: -173.231
Base-Backbone interact. energy: 3.274
local terms energy: -201.511842
where:
bonds (distance) C4'-P energy: -36.861
bonds (distance) P-C4' energy: -37.516
flat angles C4'-P-C4' energy: -52.098
flat angles P-C4'-P energy: -30.060
tors. eta vs tors. theta energy: -44.976
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: 457
Temperature: 1.350000
Total energy: -298.492157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.492157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.492157 (E_RNA)
where:
Base-Base interactions energy: -149.945
where: short stacking energy: -89.178
Base-Backbone interact. energy: -0.693
local terms energy: -147.854672
where:
bonds (distance) C4'-P energy: -30.096
bonds (distance) P-C4' energy: -50.423
flat angles C4'-P-C4' energy: -47.533
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -3.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -950.594260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.594260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.594260 (E_RNA)
where:
Base-Base interactions energy: -674.930
where: short stacking energy: -303.819
Base-Backbone interact. energy: 1.182
local terms energy: -276.846428
where:
bonds (distance) C4'-P energy: -49.536
bonds (distance) P-C4' energy: -45.190
flat angles C4'-P-C4' energy: -60.182
flat angles P-C4'-P energy: -36.209
tors. eta vs tors. theta energy: -85.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -936.306329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.306329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.306329 (E_RNA)
where:
Base-Base interactions energy: -640.657
where: short stacking energy: -271.815
Base-Backbone interact. energy: -0.727
local terms energy: -294.922782
where:
bonds (distance) C4'-P energy: -53.085
bonds (distance) P-C4' energy: -48.298
flat angles C4'-P-C4' energy: -61.647
flat angles P-C4'-P energy: -46.669
tors. eta vs tors. theta energy: -85.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -896.940213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.940213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.940213 (E_RNA)
where:
Base-Base interactions energy: -633.139
where: short stacking energy: -262.159
Base-Backbone interact. energy: 0.022
local terms energy: -263.823427
where:
bonds (distance) C4'-P energy: -46.105
bonds (distance) P-C4' energy: -48.274
flat angles C4'-P-C4' energy: -58.397
flat angles P-C4'-P energy: -39.379
tors. eta vs tors. theta energy: -71.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -858.005364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.005364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.005364 (E_RNA)
where:
Base-Base interactions energy: -593.231
where: short stacking energy: -241.990
Base-Backbone interact. energy: -0.795
local terms energy: -263.979504
where:
bonds (distance) C4'-P energy: -45.281
bonds (distance) P-C4' energy: -47.378
flat angles C4'-P-C4' energy: -56.988
flat angles P-C4'-P energy: -40.748
tors. eta vs tors. theta energy: -73.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -776.012750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.012750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.012750 (E_RNA)
where:
Base-Base interactions energy: -540.081
where: short stacking energy: -220.797
Base-Backbone interact. energy: 0.621
local terms energy: -236.553498
where:
bonds (distance) C4'-P energy: -37.498
bonds (distance) P-C4' energy: -48.912
flat angles C4'-P-C4' energy: -51.000
flat angles P-C4'-P energy: -31.154
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: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -742.085974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.085974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.085974 (E_RNA)
where:
Base-Base interactions energy: -529.209
where: short stacking energy: -213.671
Base-Backbone interact. energy: -0.793
local terms energy: -212.083493
where:
bonds (distance) C4'-P energy: -42.105
bonds (distance) P-C4' energy: -33.021
flat angles C4'-P-C4' energy: -52.069
flat angles P-C4'-P energy: -32.468
tors. eta vs tors. theta energy: -52.421
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: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -729.842522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.842522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.842522 (E_RNA)
where:
Base-Base interactions energy: -490.228
where: short stacking energy: -214.245
Base-Backbone interact. energy: 1.578
local terms energy: -241.193050
where:
bonds (distance) C4'-P energy: -43.437
bonds (distance) P-C4' energy: -53.018
flat angles C4'-P-C4' energy: -50.484
flat angles P-C4'-P energy: -31.774
tors. eta vs tors. theta energy: -62.481
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: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -677.907356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.907356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.907356 (E_RNA)
where:
Base-Base interactions energy: -463.461
where: short stacking energy: -194.654
Base-Backbone interact. energy: -1.191
local terms energy: -213.255606
where:
bonds (distance) C4'-P energy: -48.198
bonds (distance) P-C4' energy: -41.836
flat angles C4'-P-C4' energy: -47.179
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -52.755
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: 4
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -540.412794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.412794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.412794 (E_RNA)
where:
Base-Base interactions energy: -348.069
where: short stacking energy: -155.834
Base-Backbone interact. energy: 2.279
local terms energy: -194.622832
where:
bonds (distance) C4'-P energy: -35.558
bonds (distance) P-C4' energy: -38.288
flat angles C4'-P-C4' energy: -42.781
flat angles P-C4'-P energy: -33.219
tors. eta vs tors. theta energy: -44.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -289.128638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.128638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.128638 (E_RNA)
where:
Base-Base interactions energy: -112.587
where: short stacking energy: -74.185
Base-Backbone interact. energy: -0.826
local terms energy: -175.715295
where:
bonds (distance) C4'-P energy: -47.066
bonds (distance) P-C4' energy: -49.573
flat angles C4'-P-C4' energy: -43.590
flat angles P-C4'-P energy: -26.895
tors. eta vs tors. theta energy: -8.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -949.888471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.888471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.888471 (E_RNA)
where:
Base-Base interactions energy: -662.817
where: short stacking energy: -289.844
Base-Backbone interact. energy: -1.074
local terms energy: -285.997524
where:
bonds (distance) C4'-P energy: -46.197
bonds (distance) P-C4' energy: -56.904
flat angles C4'-P-C4' energy: -61.501
flat angles P-C4'-P energy: -38.636
tors. eta vs tors. theta energy: -82.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -959.902228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.902228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.902228 (E_RNA)
where:
Base-Base interactions energy: -661.855
where: short stacking energy: -289.412
Base-Backbone interact. energy: -0.601
local terms energy: -297.446507
where:
bonds (distance) C4'-P energy: -53.065
bonds (distance) P-C4' energy: -49.484
flat angles C4'-P-C4' energy: -61.444
flat angles P-C4'-P energy: -41.366
tors. eta vs tors. theta energy: -92.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -887.397465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.397465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.397465 (E_RNA)
where:
Base-Base interactions energy: -622.952
where: short stacking energy: -248.519
Base-Backbone interact. energy: -0.635
local terms energy: -263.810907
where:
bonds (distance) C4'-P energy: -54.062
bonds (distance) P-C4' energy: -52.302
flat angles C4'-P-C4' energy: -56.206
flat angles P-C4'-P energy: -31.693
tors. eta vs tors. theta energy: -69.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -847.747575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.747575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.747575 (E_RNA)
where:
Base-Base interactions energy: -588.554
where: short stacking energy: -241.640
Base-Backbone interact. energy: -0.101
local terms energy: -259.092068
where:
bonds (distance) C4'-P energy: -42.629
bonds (distance) P-C4' energy: -51.397
flat angles C4'-P-C4' energy: -56.539
flat angles P-C4'-P energy: -33.918
tors. eta vs tors. theta energy: -74.609
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: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -764.347232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.347232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.347232 (E_RNA)
where:
Base-Base interactions energy: -524.221
where: short stacking energy: -219.979
Base-Backbone interact. energy: -0.468
local terms energy: -239.657642
where:
bonds (distance) C4'-P energy: -48.724
bonds (distance) P-C4' energy: -47.239
flat angles C4'-P-C4' energy: -47.005
flat angles P-C4'-P energy: -39.892
tors. eta vs tors. theta energy: -56.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -769.248815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.248815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.248815 (E_RNA)
where:
Base-Base interactions energy: -525.649
where: short stacking energy: -216.012
Base-Backbone interact. energy: 3.964
local terms energy: -247.564178
where:
bonds (distance) C4'-P energy: -48.816
bonds (distance) P-C4' energy: -48.651
flat angles C4'-P-C4' energy: -54.820
flat angles P-C4'-P energy: -38.176
tors. eta vs tors. theta energy: -57.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -722.540656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.540656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.540656 (E_RNA)
where:
Base-Base interactions energy: -489.351
where: short stacking energy: -217.138
Base-Backbone interact. energy: 0.191
local terms energy: -233.380405
where:
bonds (distance) C4'-P energy: -48.140
bonds (distance) P-C4' energy: -45.096
flat angles C4'-P-C4' energy: -44.316
flat angles P-C4'-P energy: -38.103
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: 8, replica: 7
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -716.326178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.326178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.326178 (E_RNA)
where:
Base-Base interactions energy: -482.992
where: short stacking energy: -184.944
Base-Backbone interact. energy: -1.177
local terms energy: -232.156993
where:
bonds (distance) C4'-P energy: -38.613
bonds (distance) P-C4' energy: -48.840
flat angles C4'-P-C4' energy: -48.627
flat angles P-C4'-P energy: -43.819
tors. eta vs tors. theta energy: -52.259
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: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -545.713733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.713733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.713733 (E_RNA)
where:
Base-Base interactions energy: -354.375
where: short stacking energy: -146.874
Base-Backbone interact. energy: -0.533
local terms energy: -190.806597
where:
bonds (distance) C4'-P energy: -35.764
bonds (distance) P-C4' energy: -44.899
flat angles C4'-P-C4' energy: -44.550
flat angles P-C4'-P energy: -33.653
tors. eta vs tors. theta energy: -31.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -295.546825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.546825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.546825 (E_RNA)
where:
Base-Base interactions energy: -136.810
where: short stacking energy: -90.045
Base-Backbone interact. energy: -0.719
local terms energy: -158.018116
where:
bonds (distance) C4'-P energy: -39.322
bonds (distance) P-C4' energy: -49.192
flat angles C4'-P-C4' energy: -38.393
flat angles P-C4'-P energy: -24.017
tors. eta vs tors. theta energy: -7.094
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: 1, replica: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -952.387452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.387452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.387452 (E_RNA)
where:
Base-Base interactions energy: -663.058
where: short stacking energy: -283.763
Base-Backbone interact. energy: -0.440
local terms energy: -288.888938
where:
bonds (distance) C4'-P energy: -52.566
bonds (distance) P-C4' energy: -49.131
flat angles C4'-P-C4' energy: -59.607
flat angles P-C4'-P energy: -44.331
tors. eta vs tors. theta energy: -83.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -940.061535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.061535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.061535 (E_RNA)
where:
Base-Base interactions energy: -651.370
where: short stacking energy: -269.196
Base-Backbone interact. energy: -2.035
local terms energy: -286.656235
where:
bonds (distance) C4'-P energy: -50.698
bonds (distance) P-C4' energy: -54.640
flat angles C4'-P-C4' energy: -58.163
flat angles P-C4'-P energy: -43.045
tors. eta vs tors. theta energy: -80.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -904.199687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.199687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.199687 (E_RNA)
where:
Base-Base interactions energy: -633.132
where: short stacking energy: -258.887
Base-Backbone interact. energy: -0.593
local terms energy: -270.475101
where:
bonds (distance) C4'-P energy: -55.179
bonds (distance) P-C4' energy: -47.612
flat angles C4'-P-C4' energy: -54.714
flat angles P-C4'-P energy: -37.754
tors. eta vs tors. theta energy: -75.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -849.081417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.081417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.081417 (E_RNA)
where:
Base-Base interactions energy: -604.562
where: short stacking energy: -250.778
Base-Backbone interact. energy: -0.965
local terms energy: -243.554427
where:
bonds (distance) C4'-P energy: -48.436
bonds (distance) P-C4' energy: -39.971
flat angles C4'-P-C4' energy: -55.833
flat angles P-C4'-P energy: -36.840
tors. eta vs tors. theta energy: -62.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -817.686555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.686555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.686555 (E_RNA)
where:
Base-Base interactions energy: -553.462
where: short stacking energy: -244.037
Base-Backbone interact. energy: -0.777
local terms energy: -263.448224
where:
bonds (distance) C4'-P energy: -51.754
bonds (distance) P-C4' energy: -48.500
flat angles C4'-P-C4' energy: -55.548
flat angles P-C4'-P energy: -39.471
tors. eta vs tors. theta energy: -68.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -759.638400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.638400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.638400 (E_RNA)
where:
Base-Base interactions energy: -530.431
where: short stacking energy: -210.895
Base-Backbone interact. energy: -0.533
local terms energy: -228.674783
where:
bonds (distance) C4'-P energy: -49.150
bonds (distance) P-C4' energy: -42.389
flat angles C4'-P-C4' energy: -42.990
flat angles P-C4'-P energy: -37.344
tors. eta vs tors. theta energy: -56.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -725.351975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.351975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.351975 (E_RNA)
where:
Base-Base interactions energy: -496.634
where: short stacking energy: -200.153
Base-Backbone interact. energy: -0.233
local terms energy: -228.485391
where:
bonds (distance) C4'-P energy: -43.239
bonds (distance) P-C4' energy: -48.364
flat angles C4'-P-C4' energy: -50.027
flat angles P-C4'-P energy: -33.744
tors. eta vs tors. theta energy: -53.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -726.842004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.842004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.842004 (E_RNA)
where:
Base-Base interactions energy: -504.063
where: short stacking energy: -197.707
Base-Backbone interact. energy: -1.548
local terms energy: -221.230970
where:
bonds (distance) C4'-P energy: -45.438
bonds (distance) P-C4' energy: -41.495
flat angles C4'-P-C4' energy: -39.279
flat angles P-C4'-P energy: -32.414
tors. eta vs tors. theta energy: -62.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -543.866972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.866972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.866972 (E_RNA)
where:
Base-Base interactions energy: -350.995
where: short stacking energy: -147.580
Base-Backbone interact. energy: 3.142
local terms energy: -196.014525
where:
bonds (distance) C4'-P energy: -45.616
bonds (distance) P-C4' energy: -31.809
flat angles C4'-P-C4' energy: -51.435
flat angles P-C4'-P energy: -27.972
tors. eta vs tors. theta energy: -39.182
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: 460
Temperature: 1.350000
Total energy: -280.037181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.037181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.037181 (E_RNA)
where:
Base-Base interactions energy: -132.840
where: short stacking energy: -71.826
Base-Backbone interact. energy: 0.808
local terms energy: -148.004583
where:
bonds (distance) C4'-P energy: -47.474
bonds (distance) P-C4' energy: -51.043
flat angles C4'-P-C4' energy: -43.408
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: 2.070
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: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -957.652787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.652787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.652787 (E_RNA)
where:
Base-Base interactions energy: -662.352
where: short stacking energy: -291.339
Base-Backbone interact. energy: -0.511
local terms energy: -294.789448
where:
bonds (distance) C4'-P energy: -49.477
bonds (distance) P-C4' energy: -52.505
flat angles C4'-P-C4' energy: -67.056
flat angles P-C4'-P energy: -41.168
tors. eta vs tors. theta energy: -84.583
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: 9
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -922.565340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.565340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.565340 (E_RNA)
where:
Base-Base interactions energy: -644.763
where: short stacking energy: -270.989
Base-Backbone interact. energy: 6.028
local terms energy: -283.830261
where:
bonds (distance) C4'-P energy: -48.809
bonds (distance) P-C4' energy: -55.667
flat angles C4'-P-C4' energy: -57.722
flat angles P-C4'-P energy: -42.641
tors. eta vs tors. theta energy: -78.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -913.598334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.598334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.598334 (E_RNA)
where:
Base-Base interactions energy: -632.530
where: short stacking energy: -278.008
Base-Backbone interact. energy: -0.642
local terms energy: -280.426941
where:
bonds (distance) C4'-P energy: -43.171
bonds (distance) P-C4' energy: -53.321
flat angles C4'-P-C4' energy: -58.614
flat angles P-C4'-P energy: -44.118
tors. eta vs tors. theta energy: -81.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -831.829065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.829065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.829065 (E_RNA)
where:
Base-Base interactions energy: -572.418
where: short stacking energy: -254.663
Base-Backbone interact. energy: -0.000
local terms energy: -259.410807
where:
bonds (distance) C4'-P energy: -50.638
bonds (distance) P-C4' energy: -47.821
flat angles C4'-P-C4' energy: -54.060
flat angles P-C4'-P energy: -39.324
tors. eta vs tors. theta energy: -67.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -846.034256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.034256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.034256 (E_RNA)
where:
Base-Base interactions energy: -586.180
where: short stacking energy: -242.395
Base-Backbone interact. energy: -1.728
local terms energy: -258.126877
where:
bonds (distance) C4'-P energy: -42.448
bonds (distance) P-C4' energy: -46.927
flat angles C4'-P-C4' energy: -51.249
flat angles P-C4'-P energy: -45.046
tors. eta vs tors. theta energy: -72.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -747.680135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.680135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.680135 (E_RNA)
where:
Base-Base interactions energy: -515.035
where: short stacking energy: -203.084
Base-Backbone interact. energy: 1.418
local terms energy: -234.063695
where:
bonds (distance) C4'-P energy: -40.395
bonds (distance) P-C4' energy: -50.141
flat angles C4'-P-C4' energy: -49.257
flat angles P-C4'-P energy: -42.620
tors. eta vs tors. theta energy: -51.650
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: 5
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -709.206813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.206813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.206813 (E_RNA)
where:
Base-Base interactions energy: -484.797
where: short stacking energy: -201.959
Base-Backbone interact. energy: 2.839
local terms energy: -227.248631
where:
bonds (distance) C4'-P energy: -43.393
bonds (distance) P-C4' energy: -54.076
flat angles C4'-P-C4' energy: -53.785
flat angles P-C4'-P energy: -21.443
tors. eta vs tors. theta energy: -54.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -711.363843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.363843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.363843 (E_RNA)
where:
Base-Base interactions energy: -478.782
where: short stacking energy: -201.087
Base-Backbone interact. energy: -0.999
local terms energy: -231.583303
where:
bonds (distance) C4'-P energy: -53.401
bonds (distance) P-C4' energy: -39.502
flat angles C4'-P-C4' energy: -47.551
flat angles P-C4'-P energy: -33.110
tors. eta vs tors. theta energy: -58.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -531.392183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.392183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.392183 (E_RNA)
where:
Base-Base interactions energy: -321.188
where: short stacking energy: -144.691
Base-Backbone interact. energy: -0.501
local terms energy: -209.703148
where:
bonds (distance) C4'-P energy: -49.023
bonds (distance) P-C4' energy: -46.317
flat angles C4'-P-C4' energy: -52.662
flat angles P-C4'-P energy: -27.544
tors. eta vs tors. theta energy: -34.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -278.922727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.922727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.922727 (E_RNA)
where:
Base-Base interactions energy: -139.775
where: short stacking energy: -93.273
Base-Backbone interact. energy: 6.434
local terms energy: -145.582433
where:
bonds (distance) C4'-P energy: -34.802
bonds (distance) P-C4' energy: -44.205
flat angles C4'-P-C4' energy: -42.167
flat angles P-C4'-P energy: -24.804
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: 1, replica: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -961.397868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.397868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.397868 (E_RNA)
where:
Base-Base interactions energy: -673.768
where: short stacking energy: -293.641
Base-Backbone interact. energy: -1.230
local terms energy: -286.399840
where:
bonds (distance) C4'-P energy: -37.097
bonds (distance) P-C4' energy: -54.666
flat angles C4'-P-C4' energy: -65.343
flat angles P-C4'-P energy: -42.966
tors. eta vs tors. theta energy: -86.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -937.679785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.679785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.679785 (E_RNA)
where:
Base-Base interactions energy: -663.964
where: short stacking energy: -256.235
Base-Backbone interact. energy: -0.556
local terms energy: -273.159949
where:
bonds (distance) C4'-P energy: -57.787
bonds (distance) P-C4' energy: -49.109
flat angles C4'-P-C4' energy: -55.476
flat angles P-C4'-P energy: -36.468
tors. eta vs tors. theta energy: -74.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -916.531503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.531503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.531503 (E_RNA)
where:
Base-Base interactions energy: -638.071
where: short stacking energy: -273.187
Base-Backbone interact. energy: 0.957
local terms energy: -279.417136
where:
bonds (distance) C4'-P energy: -46.040
bonds (distance) P-C4' energy: -52.092
flat angles C4'-P-C4' energy: -60.866
flat angles P-C4'-P energy: -45.287
tors. eta vs tors. theta energy: -75.132
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: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -833.656823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.656823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.656823 (E_RNA)
where:
Base-Base interactions energy: -569.194
where: short stacking energy: -236.307
Base-Backbone interact. energy: -0.043
local terms energy: -264.420121
where:
bonds (distance) C4'-P energy: -55.138
bonds (distance) P-C4' energy: -48.375
flat angles C4'-P-C4' energy: -59.117
flat angles P-C4'-P energy: -34.801
tors. eta vs tors. theta energy: -66.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -824.103491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.103491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.103491 (E_RNA)
where:
Base-Base interactions energy: -576.859
where: short stacking energy: -245.585
Base-Backbone interact. energy: 1.404
local terms energy: -248.648724
where:
bonds (distance) C4'-P energy: -42.850
bonds (distance) P-C4' energy: -52.095
flat angles C4'-P-C4' energy: -55.777
flat angles P-C4'-P energy: -30.663
tors. eta vs tors. theta energy: -67.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -746.839936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.839936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.839936 (E_RNA)
where:
Base-Base interactions energy: -510.679
where: short stacking energy: -211.016
Base-Backbone interact. energy: -0.204
local terms energy: -235.956400
where:
bonds (distance) C4'-P energy: -49.395
bonds (distance) P-C4' energy: -40.914
flat angles C4'-P-C4' energy: -45.120
flat angles P-C4'-P energy: -41.903
tors. eta vs tors. theta energy: -58.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -735.313380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.313380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.313380 (E_RNA)
where:
Base-Base interactions energy: -500.214
where: short stacking energy: -204.730
Base-Backbone interact. energy: -0.203
local terms energy: -234.896544
where:
bonds (distance) C4'-P energy: -45.717
bonds (distance) P-C4' energy: -42.051
flat angles C4'-P-C4' energy: -53.107
flat angles P-C4'-P energy: -40.412
tors. eta vs tors. theta energy: -53.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -690.327302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.327302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.327302 (E_RNA)
where:
Base-Base interactions energy: -461.579
where: short stacking energy: -178.172
Base-Backbone interact. energy: -1.899
local terms energy: -226.848993
where:
bonds (distance) C4'-P energy: -48.605
bonds (distance) P-C4' energy: -37.855
flat angles C4'-P-C4' energy: -54.488
flat angles P-C4'-P energy: -33.825
tors. eta vs tors. theta energy: -52.076
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: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -481.185935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.185935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.185935 (E_RNA)
where:
Base-Base interactions energy: -293.964
where: short stacking energy: -128.178
Base-Backbone interact. energy: -1.027
local terms energy: -186.194689
where:
bonds (distance) C4'-P energy: -40.935
bonds (distance) P-C4' energy: -46.573
flat angles C4'-P-C4' energy: -46.050
flat angles P-C4'-P energy: -32.285
tors. eta vs tors. theta energy: -20.352
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: 10, replica: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -288.359620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.359620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.359620 (E_RNA)
where:
Base-Base interactions energy: -144.603
where: short stacking energy: -81.428
Base-Backbone interact. energy: 1.325
local terms energy: -145.081667
where:
bonds (distance) C4'-P energy: -43.801
bonds (distance) P-C4' energy: -42.952
flat angles C4'-P-C4' energy: -36.146
flat angles P-C4'-P energy: -20.108
tors. eta vs tors. theta energy: -2.075
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: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -962.713408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.713408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.713408 (E_RNA)
where:
Base-Base interactions energy: -673.183
where: short stacking energy: -286.342
Base-Backbone interact. energy: 2.963
local terms energy: -292.493462
where:
bonds (distance) C4'-P energy: -55.601
bonds (distance) P-C4' energy: -53.627
flat angles C4'-P-C4' energy: -54.180
flat angles P-C4'-P energy: -44.589
tors. eta vs tors. theta energy: -84.497
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: 2, replica: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -927.958427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.958427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.958427 (E_RNA)
where:
Base-Base interactions energy: -649.288
where: short stacking energy: -260.157
Base-Backbone interact. energy: -1.299
local terms energy: -277.371684
where:
bonds (distance) C4'-P energy: -59.487
bonds (distance) P-C4' energy: -44.918
flat angles C4'-P-C4' energy: -54.118
flat angles P-C4'-P energy: -35.962
tors. eta vs tors. theta energy: -82.887
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: 1
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -917.290959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.290959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.290959 (E_RNA)
where:
Base-Base interactions energy: -646.403
where: short stacking energy: -280.755
Base-Backbone interact. energy: -1.230
local terms energy: -269.657654
where:
bonds (distance) C4'-P energy: -46.447
bonds (distance) P-C4' energy: -52.582
flat angles C4'-P-C4' energy: -50.518
flat angles P-C4'-P energy: -38.784
tors. eta vs tors. theta energy: -81.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -853.388865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.388865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.388865 (E_RNA)
where:
Base-Base interactions energy: -595.644
where: short stacking energy: -250.570
Base-Backbone interact. energy: 0.897
local terms energy: -258.642402
where:
bonds (distance) C4'-P energy: -46.603
bonds (distance) P-C4' energy: -55.513
flat angles C4'-P-C4' energy: -49.157
flat angles P-C4'-P energy: -36.478
tors. eta vs tors. theta energy: -70.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -786.988394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.988394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.988394 (E_RNA)
where:
Base-Base interactions energy: -534.229
where: short stacking energy: -229.456
Base-Backbone interact. energy: -1.289
local terms energy: -251.470398
where:
bonds (distance) C4'-P energy: -43.341
bonds (distance) P-C4' energy: -44.561
flat angles C4'-P-C4' energy: -59.788
flat angles P-C4'-P energy: -38.729
tors. eta vs tors. theta energy: -65.051
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: 463
Temperature: 1.150000
Total energy: -750.326835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.326835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.326835 (E_RNA)
where:
Base-Base interactions energy: -511.102
where: short stacking energy: -204.038
Base-Backbone interact. energy: -0.879
local terms energy: -238.345324
where:
bonds (distance) C4'-P energy: -42.561
bonds (distance) P-C4' energy: -58.526
flat angles C4'-P-C4' energy: -56.008
flat angles P-C4'-P energy: -23.844
tors. eta vs tors. theta energy: -57.407
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: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -739.527847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.527847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.527847 (E_RNA)
where:
Base-Base interactions energy: -513.266
where: short stacking energy: -201.294
Base-Backbone interact. energy: -1.414
local terms energy: -224.847130
where:
bonds (distance) C4'-P energy: -44.667
bonds (distance) P-C4' energy: -49.436
flat angles C4'-P-C4' energy: -52.470
flat angles P-C4'-P energy: -28.537
tors. eta vs tors. theta energy: -49.737
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: 5
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -746.543058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.543058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.543058 (E_RNA)
where:
Base-Base interactions energy: -517.182
where: short stacking energy: -223.307
Base-Backbone interact. energy: 0.052
local terms energy: -229.413025
where:
bonds (distance) C4'-P energy: -46.818
bonds (distance) P-C4' energy: -46.698
flat angles C4'-P-C4' energy: -41.619
flat angles P-C4'-P energy: -35.393
tors. eta vs tors. theta energy: -58.885
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: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -470.069833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.069833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.069833 (E_RNA)
where:
Base-Base interactions energy: -292.185
where: short stacking energy: -129.095
Base-Backbone interact. energy: 0.751
local terms energy: -178.636060
where:
bonds (distance) C4'-P energy: -40.191
bonds (distance) P-C4' energy: -42.858
flat angles C4'-P-C4' energy: -43.791
flat angles P-C4'-P energy: -27.444
tors. eta vs tors. theta energy: -24.352
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: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -294.841895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.841895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.841895 (E_RNA)
where:
Base-Base interactions energy: -143.532
where: short stacking energy: -89.849
Base-Backbone interact. energy: 1.293
local terms energy: -152.603577
where:
bonds (distance) C4'-P energy: -39.909
bonds (distance) P-C4' energy: -48.118
flat angles C4'-P-C4' energy: -39.793
flat angles P-C4'-P energy: -25.392
tors. eta vs tors. theta energy: 0.608
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: 464
Temperature: 0.900000
Total energy: -948.414336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.414336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.414336 (E_RNA)
where:
Base-Base interactions energy: -663.647
where: short stacking energy: -286.865
Base-Backbone interact. energy: -1.827
local terms energy: -282.940293
where:
bonds (distance) C4'-P energy: -56.254
bonds (distance) P-C4' energy: -44.353
flat angles C4'-P-C4' energy: -55.679
flat angles P-C4'-P energy: -45.259
tors. eta vs tors. theta energy: -81.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -921.719224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.719224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.719224 (E_RNA)
where:
Base-Base interactions energy: -655.609
where: short stacking energy: -261.712
Base-Backbone interact. energy: -1.451
local terms energy: -264.659051
where:
bonds (distance) C4'-P energy: -46.120
bonds (distance) P-C4' energy: -53.530
flat angles C4'-P-C4' energy: -57.938
flat angles P-C4'-P energy: -39.714
tors. eta vs tors. theta energy: -67.356
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: 464
Temperature: 1.000000
Total energy: -915.786899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.786899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.786899 (E_RNA)
where:
Base-Base interactions energy: -630.827
where: short stacking energy: -261.665
Base-Backbone interact. energy: -0.716
local terms energy: -284.244489
where:
bonds (distance) C4'-P energy: -50.017
bonds (distance) P-C4' energy: -54.500
flat angles C4'-P-C4' energy: -56.809
flat angles P-C4'-P energy: -37.061
tors. eta vs tors. theta energy: -85.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -840.279836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.279836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.279836 (E_RNA)
where:
Base-Base interactions energy: -572.192
where: short stacking energy: -237.545
Base-Backbone interact. energy: -1.660
local terms energy: -266.427676
where:
bonds (distance) C4'-P energy: -54.307
bonds (distance) P-C4' energy: -54.197
flat angles C4'-P-C4' energy: -55.372
flat angles P-C4'-P energy: -33.565
tors. eta vs tors. theta energy: -68.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -798.992430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.992430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.992430 (E_RNA)
where:
Base-Base interactions energy: -538.335
where: short stacking energy: -240.036
Base-Backbone interact. energy: -0.350
local terms energy: -260.306829
where:
bonds (distance) C4'-P energy: -55.450
bonds (distance) P-C4' energy: -50.881
flat angles C4'-P-C4' energy: -53.466
flat angles P-C4'-P energy: -34.819
tors. eta vs tors. theta energy: -65.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -744.891252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.891252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.891252 (E_RNA)
where:
Base-Base interactions energy: -511.706
where: short stacking energy: -205.988
Base-Backbone interact. energy: -1.096
local terms energy: -232.090071
where:
bonds (distance) C4'-P energy: -43.479
bonds (distance) P-C4' energy: -54.725
flat angles C4'-P-C4' energy: -45.230
flat angles P-C4'-P energy: -40.294
tors. eta vs tors. theta energy: -48.363
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: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -754.850982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.850982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.850982 (E_RNA)
where:
Base-Base interactions energy: -515.536
where: short stacking energy: -199.959
Base-Backbone interact. energy: 6.328
local terms energy: -245.642299
where:
bonds (distance) C4'-P energy: -50.993
bonds (distance) P-C4' energy: -41.993
flat angles C4'-P-C4' energy: -51.846
flat angles P-C4'-P energy: -40.534
tors. eta vs tors. theta energy: -60.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -706.481542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.481542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.481542 (E_RNA)
where:
Base-Base interactions energy: -469.631
where: short stacking energy: -193.475
Base-Backbone interact. energy: -0.399
local terms energy: -236.451534
where:
bonds (distance) C4'-P energy: -47.920
bonds (distance) P-C4' energy: -46.848
flat angles C4'-P-C4' energy: -52.542
flat angles P-C4'-P energy: -30.605
tors. eta vs tors. theta energy: -58.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -462.860032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.860032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.860032 (E_RNA)
where:
Base-Base interactions energy: -262.903
where: short stacking energy: -124.169
Base-Backbone interact. energy: 0.291
local terms energy: -200.247831
where:
bonds (distance) C4'-P energy: -49.687
bonds (distance) P-C4' energy: -45.671
flat angles C4'-P-C4' energy: -41.855
flat angles P-C4'-P energy: -33.038
tors. eta vs tors. theta energy: -29.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -288.571113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.571113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.571113 (E_RNA)
where:
Base-Base interactions energy: -134.638
where: short stacking energy: -87.211
Base-Backbone interact. energy: -0.212
local terms energy: -153.721361
where:
bonds (distance) C4'-P energy: -34.251
bonds (distance) P-C4' energy: -49.666
flat angles C4'-P-C4' energy: -39.846
flat angles P-C4'-P energy: -25.155
tors. eta vs tors. theta energy: -4.803
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: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -944.640305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.640305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.640305 (E_RNA)
where:
Base-Base interactions energy: -651.956
where: short stacking energy: -292.927
Base-Backbone interact. energy: -0.681
local terms energy: -292.003546
where:
bonds (distance) C4'-P energy: -46.817
bonds (distance) P-C4' energy: -57.302
flat angles C4'-P-C4' energy: -57.247
flat angles P-C4'-P energy: -43.243
tors. eta vs tors. theta energy: -87.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -920.120064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.120064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.120064 (E_RNA)
where:
Base-Base interactions energy: -648.001
where: short stacking energy: -252.992
Base-Backbone interact. energy: -1.140
local terms energy: -270.979590
where:
bonds (distance) C4'-P energy: -47.897
bonds (distance) P-C4' energy: -57.064
flat angles C4'-P-C4' energy: -54.122
flat angles P-C4'-P energy: -39.140
tors. eta vs tors. theta energy: -72.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -923.413801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.413801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.413801 (E_RNA)
where:
Base-Base interactions energy: -649.089
where: short stacking energy: -272.314
Base-Backbone interact. energy: 2.263
local terms energy: -276.587159
where:
bonds (distance) C4'-P energy: -42.783
bonds (distance) P-C4' energy: -44.847
flat angles C4'-P-C4' energy: -60.701
flat angles P-C4'-P energy: -40.729
tors. eta vs tors. theta energy: -87.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -848.611232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.611232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.611232 (E_RNA)
where:
Base-Base interactions energy: -590.871
where: short stacking energy: -251.451
Base-Backbone interact. energy: -2.019
local terms energy: -255.721455
where:
bonds (distance) C4'-P energy: -49.528
bonds (distance) P-C4' energy: -42.579
flat angles C4'-P-C4' energy: -49.179
flat angles P-C4'-P energy: -40.365
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: 5, replica: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -824.876591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.876591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.876591 (E_RNA)
where:
Base-Base interactions energy: -559.189
where: short stacking energy: -254.070
Base-Backbone interact. energy: -0.284
local terms energy: -265.403389
where:
bonds (distance) C4'-P energy: -37.599
bonds (distance) P-C4' energy: -51.871
flat angles C4'-P-C4' energy: -61.719
flat angles P-C4'-P energy: -36.648
tors. eta vs tors. theta energy: -77.567
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: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -772.846580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.846580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.846580 (E_RNA)
where:
Base-Base interactions energy: -531.786
where: short stacking energy: -224.886
Base-Backbone interact. energy: -0.544
local terms energy: -240.516654
where:
bonds (distance) C4'-P energy: -42.017
bonds (distance) P-C4' energy: -47.530
flat angles C4'-P-C4' energy: -50.065
flat angles P-C4'-P energy: -35.916
tors. eta vs tors. theta energy: -64.988
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: 7
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -724.430400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.430400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.430400 (E_RNA)
where:
Base-Base interactions energy: -491.443
where: short stacking energy: -205.981
Base-Backbone interact. energy: -1.622
local terms energy: -231.365939
where:
bonds (distance) C4'-P energy: -41.687
bonds (distance) P-C4' energy: -42.696
flat angles C4'-P-C4' energy: -48.877
flat angles P-C4'-P energy: -43.193
tors. eta vs tors. theta energy: -54.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -702.527838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.527838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.527838 (E_RNA)
where:
Base-Base interactions energy: -472.825
where: short stacking energy: -190.333
Base-Backbone interact. energy: -0.272
local terms energy: -229.430899
where:
bonds (distance) C4'-P energy: -40.121
bonds (distance) P-C4' energy: -50.791
flat angles C4'-P-C4' energy: -48.803
flat angles P-C4'-P energy: -33.678
tors. eta vs tors. theta energy: -56.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -447.034228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.034228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.034228 (E_RNA)
where:
Base-Base interactions energy: -279.234
where: short stacking energy: -143.673
Base-Backbone interact. energy: -0.767
local terms energy: -167.032887
where:
bonds (distance) C4'-P energy: -39.450
bonds (distance) P-C4' energy: -40.544
flat angles C4'-P-C4' energy: -34.770
flat angles P-C4'-P energy: -20.451
tors. eta vs tors. theta energy: -31.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -270.901556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.901556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.901556 (E_RNA)
where:
Base-Base interactions energy: -151.964
where: short stacking energy: -88.821
Base-Backbone interact. energy: -0.672
local terms energy: -118.265308
where:
bonds (distance) C4'-P energy: -42.639
bonds (distance) P-C4' energy: -43.497
flat angles C4'-P-C4' energy: -30.187
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: 10.162
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: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -955.176431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.176431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.176431 (E_RNA)
where:
Base-Base interactions energy: -666.253
where: short stacking energy: -285.723
Base-Backbone interact. energy: -0.222
local terms energy: -288.702178
where:
bonds (distance) C4'-P energy: -51.259
bonds (distance) P-C4' energy: -54.179
flat angles C4'-P-C4' energy: -60.189
flat angles P-C4'-P energy: -35.907
tors. eta vs tors. theta energy: -87.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -933.616083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.616083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.616083 (E_RNA)
where:
Base-Base interactions energy: -650.568
where: short stacking energy: -271.537
Base-Backbone interact. energy: 2.384
local terms energy: -285.431763
where:
bonds (distance) C4'-P energy: -59.788
bonds (distance) P-C4' energy: -48.656
flat angles C4'-P-C4' energy: -55.701
flat angles P-C4'-P energy: -45.379
tors. eta vs tors. theta energy: -75.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -920.925502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.925502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.925502 (E_RNA)
where:
Base-Base interactions energy: -640.346
where: short stacking energy: -294.754
Base-Backbone interact. energy: -0.597
local terms energy: -279.982713
where:
bonds (distance) C4'-P energy: -48.166
bonds (distance) P-C4' energy: -54.515
flat angles C4'-P-C4' energy: -54.880
flat angles P-C4'-P energy: -34.552
tors. eta vs tors. theta energy: -87.869
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: 8
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -855.189089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.189089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.189089 (E_RNA)
where:
Base-Base interactions energy: -592.725
where: short stacking energy: -263.758
Base-Backbone interact. energy: -0.158
local terms energy: -262.305662
where:
bonds (distance) C4'-P energy: -47.989
bonds (distance) P-C4' energy: -46.878
flat angles C4'-P-C4' energy: -58.386
flat angles P-C4'-P energy: -35.257
tors. eta vs tors. theta energy: -73.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -799.133939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.133939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.133939 (E_RNA)
where:
Base-Base interactions energy: -549.211
where: short stacking energy: -229.932
Base-Backbone interact. energy: -1.854
local terms energy: -248.069334
where:
bonds (distance) C4'-P energy: -46.864
bonds (distance) P-C4' energy: -49.656
flat angles C4'-P-C4' energy: -54.460
flat angles P-C4'-P energy: -39.124
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: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -741.537956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.537956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.537956 (E_RNA)
where:
Base-Base interactions energy: -514.500
where: short stacking energy: -216.480
Base-Backbone interact. energy: -0.797
local terms energy: -226.241662
where:
bonds (distance) C4'-P energy: -47.232
bonds (distance) P-C4' energy: -47.202
flat angles C4'-P-C4' energy: -47.887
flat angles P-C4'-P energy: -24.374
tors. eta vs tors. theta energy: -59.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -749.413011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.413011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.413011 (E_RNA)
where:
Base-Base interactions energy: -511.148
where: short stacking energy: -221.253
Base-Backbone interact. energy: -0.511
local terms energy: -237.754232
where:
bonds (distance) C4'-P energy: -50.283
bonds (distance) P-C4' energy: -41.440
flat angles C4'-P-C4' energy: -53.944
flat angles P-C4'-P energy: -33.982
tors. eta vs tors. theta energy: -58.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -700.691211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.691211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.691211 (E_RNA)
where:
Base-Base interactions energy: -481.961
where: short stacking energy: -193.132
Base-Backbone interact. energy: -0.977
local terms energy: -217.753273
where:
bonds (distance) C4'-P energy: -48.825
bonds (distance) P-C4' energy: -38.916
flat angles C4'-P-C4' energy: -54.136
flat angles P-C4'-P energy: -26.532
tors. eta vs tors. theta energy: -49.345
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: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -429.979997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.979997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.979997 (E_RNA)
where:
Base-Base interactions energy: -248.277
where: short stacking energy: -108.711
Base-Backbone interact. energy: -1.181
local terms energy: -180.521397
where:
bonds (distance) C4'-P energy: -46.525
bonds (distance) P-C4' energy: -43.895
flat angles C4'-P-C4' energy: -48.296
flat angles P-C4'-P energy: -26.335
tors. eta vs tors. theta energy: -15.471
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: 466
Temperature: 1.350000
Total energy: -225.843452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.843452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.843452 (E_RNA)
where:
Base-Base interactions energy: -89.164
where: short stacking energy: -63.228
Base-Backbone interact. energy: -0.107
local terms energy: -136.572603
where:
bonds (distance) C4'-P energy: -37.860
bonds (distance) P-C4' energy: -34.624
flat angles C4'-P-C4' energy: -49.025
flat angles P-C4'-P energy: -24.441
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: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -959.272500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.272500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.272500 (E_RNA)
where:
Base-Base interactions energy: -672.078
where: short stacking energy: -292.492
Base-Backbone interact. energy: -1.223
local terms energy: -285.971944
where:
bonds (distance) C4'-P energy: -53.037
bonds (distance) P-C4' energy: -48.926
flat angles C4'-P-C4' energy: -61.857
flat angles P-C4'-P energy: -37.991
tors. eta vs tors. theta energy: -84.161
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: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -942.554612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.554612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.554612 (E_RNA)
where:
Base-Base interactions energy: -653.658
where: short stacking energy: -294.563
Base-Backbone interact. energy: 2.621
local terms energy: -291.517412
where:
bonds (distance) C4'-P energy: -49.877
bonds (distance) P-C4' energy: -50.687
flat angles C4'-P-C4' energy: -57.843
flat angles P-C4'-P energy: -43.159
tors. eta vs tors. theta energy: -89.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -909.579274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.579274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.579274 (E_RNA)
where:
Base-Base interactions energy: -630.885
where: short stacking energy: -262.988
Base-Backbone interact. energy: -1.647
local terms energy: -277.047607
where:
bonds (distance) C4'-P energy: -51.112
bonds (distance) P-C4' energy: -52.477
flat angles C4'-P-C4' energy: -57.508
flat angles P-C4'-P energy: -38.295
tors. eta vs tors. theta energy: -77.654
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: 4, replica: 8
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -856.002125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.002125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.002125 (E_RNA)
where:
Base-Base interactions energy: -599.053
where: short stacking energy: -253.308
Base-Backbone interact. energy: -1.224
local terms energy: -255.724623
where:
bonds (distance) C4'-P energy: -42.931
bonds (distance) P-C4' energy: -45.776
flat angles C4'-P-C4' energy: -61.723
flat angles P-C4'-P energy: -27.348
tors. eta vs tors. theta energy: -77.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -811.748434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.748434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.748434 (E_RNA)
where:
Base-Base interactions energy: -555.708
where: short stacking energy: -236.648
Base-Backbone interact. energy: -0.723
local terms energy: -255.317719
where:
bonds (distance) C4'-P energy: -51.081
bonds (distance) P-C4' energy: -51.830
flat angles C4'-P-C4' energy: -50.795
flat angles P-C4'-P energy: -34.721
tors. eta vs tors. theta energy: -66.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -772.765259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.765259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.765259 (E_RNA)
where:
Base-Base interactions energy: -537.823
where: short stacking energy: -229.609
Base-Backbone interact. energy: -0.314
local terms energy: -234.628335
where:
bonds (distance) C4'-P energy: -40.491
bonds (distance) P-C4' energy: -48.946
flat angles C4'-P-C4' energy: -53.913
flat angles P-C4'-P energy: -28.410
tors. eta vs tors. theta energy: -62.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -699.909501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.909501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.909501 (E_RNA)
where:
Base-Base interactions energy: -483.469
where: short stacking energy: -213.774
Base-Backbone interact. energy: -0.373
local terms energy: -216.067807
where:
bonds (distance) C4'-P energy: -39.766
bonds (distance) P-C4' energy: -45.622
flat angles C4'-P-C4' energy: -47.200
flat angles P-C4'-P energy: -32.414
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: 8, replica: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -692.579846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.579846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.579846 (E_RNA)
where:
Base-Base interactions energy: -494.979
where: short stacking energy: -207.154
Base-Backbone interact. energy: -0.532
local terms energy: -197.068698
where:
bonds (distance) C4'-P energy: -47.698
bonds (distance) P-C4' energy: -29.523
flat angles C4'-P-C4' energy: -37.302
flat angles P-C4'-P energy: -39.643
tors. eta vs tors. theta energy: -42.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -452.141315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.141315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.141315 (E_RNA)
where:
Base-Base interactions energy: -265.608
where: short stacking energy: -130.021
Base-Backbone interact. energy: 1.266
local terms energy: -187.799813
where:
bonds (distance) C4'-P energy: -50.963
bonds (distance) P-C4' energy: -38.714
flat angles C4'-P-C4' energy: -43.295
flat angles P-C4'-P energy: -28.580
tors. eta vs tors. theta energy: -26.247
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: 467
Temperature: 1.350000
Total energy: -212.396125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.396125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.396125 (E_RNA)
where:
Base-Base interactions energy: -74.328
where: short stacking energy: -54.301
Base-Backbone interact. energy: 1.285
local terms energy: -139.353397
where:
bonds (distance) C4'-P energy: -45.545
bonds (distance) P-C4' energy: -49.406
flat angles C4'-P-C4' energy: -27.806
flat angles P-C4'-P energy: -19.916
tors. eta vs tors. theta energy: 3.320
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: 3
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -951.772037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.772037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.772037 (E_RNA)
where:
Base-Base interactions energy: -652.519
where: short stacking energy: -292.076
Base-Backbone interact. energy: -0.820
local terms energy: -298.433279
where:
bonds (distance) C4'-P energy: -50.359
bonds (distance) P-C4' energy: -56.258
flat angles C4'-P-C4' energy: -57.711
flat angles P-C4'-P energy: -47.626
tors. eta vs tors. theta energy: -86.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -929.876688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.876688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.876688 (E_RNA)
where:
Base-Base interactions energy: -642.414
where: short stacking energy: -296.007
Base-Backbone interact. energy: -1.063
local terms energy: -286.399404
where:
bonds (distance) C4'-P energy: -41.576
bonds (distance) P-C4' energy: -49.493
flat angles C4'-P-C4' energy: -64.431
flat angles P-C4'-P energy: -40.790
tors. eta vs tors. theta energy: -90.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -918.344412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.344412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.344412 (E_RNA)
where:
Base-Base interactions energy: -648.615
where: short stacking energy: -268.386
Base-Backbone interact. energy: 0.066
local terms energy: -269.795526
where:
bonds (distance) C4'-P energy: -43.443
bonds (distance) P-C4' energy: -54.530
flat angles C4'-P-C4' energy: -57.279
flat angles P-C4'-P energy: -32.881
tors. eta vs tors. theta energy: -81.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -858.753868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.753868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.753868 (E_RNA)
where:
Base-Base interactions energy: -598.751
where: short stacking energy: -254.018
Base-Backbone interact. energy: -1.153
local terms energy: -258.849304
where:
bonds (distance) C4'-P energy: -49.987
bonds (distance) P-C4' energy: -52.696
flat angles C4'-P-C4' energy: -52.044
flat angles P-C4'-P energy: -33.389
tors. eta vs tors. theta energy: -70.733
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: 468
Temperature: 1.100000
Total energy: -828.797669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.797669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.797669 (E_RNA)
where:
Base-Base interactions energy: -564.545
where: short stacking energy: -247.730
Base-Backbone interact. energy: 0.356
local terms energy: -264.609078
where:
bonds (distance) C4'-P energy: -45.370
bonds (distance) P-C4' energy: -54.240
flat angles C4'-P-C4' energy: -46.209
flat angles P-C4'-P energy: -41.421
tors. eta vs tors. theta energy: -77.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -765.801783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.801783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.801783 (E_RNA)
where:
Base-Base interactions energy: -526.570
where: short stacking energy: -224.379
Base-Backbone interact. energy: 1.008
local terms energy: -240.240137
where:
bonds (distance) C4'-P energy: -45.900
bonds (distance) P-C4' energy: -52.877
flat angles C4'-P-C4' energy: -52.243
flat angles P-C4'-P energy: -26.448
tors. eta vs tors. theta energy: -62.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -740.299026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.299026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.299026 (E_RNA)
where:
Base-Base interactions energy: -513.707
where: short stacking energy: -199.008
Base-Backbone interact. energy: -0.839
local terms energy: -225.752870
where:
bonds (distance) C4'-P energy: -52.170
bonds (distance) P-C4' energy: -43.448
flat angles C4'-P-C4' energy: -49.392
flat angles P-C4'-P energy: -27.270
tors. eta vs tors. theta energy: -53.472
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: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -714.742550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.742550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.742550 (E_RNA)
where:
Base-Base interactions energy: -486.040
where: short stacking energy: -207.236
Base-Backbone interact. energy: -0.799
local terms energy: -227.903054
where:
bonds (distance) C4'-P energy: -37.727
bonds (distance) P-C4' energy: -48.023
flat angles C4'-P-C4' energy: -59.042
flat angles P-C4'-P energy: -27.335
tors. eta vs tors. theta energy: -55.776
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: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -420.557268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.557268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.557268 (E_RNA)
where:
Base-Base interactions energy: -254.464
where: short stacking energy: -113.342
Base-Backbone interact. energy: 1.209
local terms energy: -167.302795
where:
bonds (distance) C4'-P energy: -49.761
bonds (distance) P-C4' energy: -54.211
flat angles C4'-P-C4' energy: -29.907
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: -13.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -213.063572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.063572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.063572 (E_RNA)
where:
Base-Base interactions energy: -68.470
where: short stacking energy: -59.868
Base-Backbone interact. energy: 6.099
local terms energy: -150.692407
where:
bonds (distance) C4'-P energy: -48.453
bonds (distance) P-C4' energy: -51.909
flat angles C4'-P-C4' energy: -34.805
flat angles P-C4'-P energy: -26.897
tors. eta vs tors. theta energy: 11.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -945.396878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.396878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.396878 (E_RNA)
where:
Base-Base interactions energy: -654.716
where: short stacking energy: -292.608
Base-Backbone interact. energy: -0.497
local terms energy: -290.183767
where:
bonds (distance) C4'-P energy: -53.343
bonds (distance) P-C4' energy: -53.346
flat angles C4'-P-C4' energy: -60.101
flat angles P-C4'-P energy: -40.573
tors. eta vs tors. theta energy: -82.821
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: 9
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -946.912132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.912132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.912132 (E_RNA)
where:
Base-Base interactions energy: -665.788
where: short stacking energy: -274.757
Base-Backbone interact. energy: -1.519
local terms energy: -279.604783
where:
bonds (distance) C4'-P energy: -58.820
bonds (distance) P-C4' energy: -57.187
flat angles C4'-P-C4' energy: -53.213
flat angles P-C4'-P energy: -30.220
tors. eta vs tors. theta energy: -80.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -910.099466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.099466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.099466 (E_RNA)
where:
Base-Base interactions energy: -640.155
where: short stacking energy: -274.551
Base-Backbone interact. energy: -1.565
local terms energy: -268.380006
where:
bonds (distance) C4'-P energy: -47.716
bonds (distance) P-C4' energy: -47.539
flat angles C4'-P-C4' energy: -52.182
flat angles P-C4'-P energy: -38.335
tors. eta vs tors. theta energy: -82.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -834.067136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.067136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.067136 (E_RNA)
where:
Base-Base interactions energy: -577.168
where: short stacking energy: -243.651
Base-Backbone interact. energy: 0.083
local terms energy: -256.981974
where:
bonds (distance) C4'-P energy: -51.101
bonds (distance) P-C4' energy: -37.963
flat angles C4'-P-C4' energy: -61.569
flat angles P-C4'-P energy: -36.021
tors. eta vs tors. theta energy: -70.327
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: 8
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -849.166076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.166076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.166076 (E_RNA)
where:
Base-Base interactions energy: -582.658
where: short stacking energy: -254.195
Base-Backbone interact. energy: -2.032
local terms energy: -264.475714
where:
bonds (distance) C4'-P energy: -56.670
bonds (distance) P-C4' energy: -45.644
flat angles C4'-P-C4' energy: -48.258
flat angles P-C4'-P energy: -36.424
tors. eta vs tors. theta energy: -77.479
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: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -788.285122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.285122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.285122 (E_RNA)
where:
Base-Base interactions energy: -533.604
where: short stacking energy: -234.610
Base-Backbone interact. energy: -0.222
local terms energy: -254.458671
where:
bonds (distance) C4'-P energy: -42.996
bonds (distance) P-C4' energy: -42.932
flat angles C4'-P-C4' energy: -56.083
flat angles P-C4'-P energy: -41.390
tors. eta vs tors. theta energy: -71.058
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: 469
Temperature: 1.200000
Total energy: -736.158788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.158788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.158788 (E_RNA)
where:
Base-Base interactions energy: -495.713
where: short stacking energy: -201.618
Base-Backbone interact. energy: -2.524
local terms energy: -237.922398
where:
bonds (distance) C4'-P energy: -49.592
bonds (distance) P-C4' energy: -39.711
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -40.308
tors. eta vs tors. theta energy: -55.447
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: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -676.711383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.711383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.711383 (E_RNA)
where:
Base-Base interactions energy: -461.356
where: short stacking energy: -188.087
Base-Backbone interact. energy: -0.666
local terms energy: -214.688576
where:
bonds (distance) C4'-P energy: -34.243
bonds (distance) P-C4' energy: -53.854
flat angles C4'-P-C4' energy: -47.480
flat angles P-C4'-P energy: -27.392
tors. eta vs tors. theta energy: -51.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -472.348902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.348902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.348902 (E_RNA)
where:
Base-Base interactions energy: -285.734
where: short stacking energy: -146.961
Base-Backbone interact. energy: 0.487
local terms energy: -187.102206
where:
bonds (distance) C4'-P energy: -45.254
bonds (distance) P-C4' energy: -48.450
flat angles C4'-P-C4' energy: -39.742
flat angles P-C4'-P energy: -23.623
tors. eta vs tors. theta energy: -30.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -247.460804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.460804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.460804 (E_RNA)
where:
Base-Base interactions energy: -86.942
where: short stacking energy: -47.169
Base-Backbone interact. energy: -0.059
local terms energy: -160.459781
where:
bonds (distance) C4'-P energy: -49.013
bonds (distance) P-C4' energy: -48.403
flat angles C4'-P-C4' energy: -46.672
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: 4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -957.375615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.375615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.375615 (E_RNA)
where:
Base-Base interactions energy: -665.165
where: short stacking energy: -264.818
Base-Backbone interact. energy: -1.879
local terms energy: -290.331375
where:
bonds (distance) C4'-P energy: -57.674
bonds (distance) P-C4' energy: -50.997
flat angles C4'-P-C4' energy: -54.901
flat angles P-C4'-P energy: -47.806
tors. eta vs tors. theta energy: -78.953
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: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -939.364816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.364816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.364816 (E_RNA)
where:
Base-Base interactions energy: -648.119
where: short stacking energy: -290.942
Base-Backbone interact. energy: -1.161
local terms energy: -290.084810
where:
bonds (distance) C4'-P energy: -57.585
bonds (distance) P-C4' energy: -48.657
flat angles C4'-P-C4' energy: -61.436
flat angles P-C4'-P energy: -43.548
tors. eta vs tors. theta energy: -78.859
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: 3, replica: 1
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -930.414551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.414551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.414551 (E_RNA)
where:
Base-Base interactions energy: -630.735
where: short stacking energy: -288.704
Base-Backbone interact. energy: -0.380
local terms energy: -299.299797
where:
bonds (distance) C4'-P energy: -53.202
bonds (distance) P-C4' energy: -49.927
flat angles C4'-P-C4' energy: -62.630
flat angles P-C4'-P energy: -40.222
tors. eta vs tors. theta energy: -93.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -833.565709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.565709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.565709 (E_RNA)
where:
Base-Base interactions energy: -571.459
where: short stacking energy: -241.101
Base-Backbone interact. energy: 0.254
local terms energy: -262.360216
where:
bonds (distance) C4'-P energy: -52.874
bonds (distance) P-C4' energy: -48.608
flat angles C4'-P-C4' energy: -54.506
flat angles P-C4'-P energy: -36.375
tors. eta vs tors. theta energy: -69.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -810.699468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.699468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.699468 (E_RNA)
where:
Base-Base interactions energy: -549.151
where: short stacking energy: -241.237
Base-Backbone interact. energy: -1.177
local terms energy: -260.371170
where:
bonds (distance) C4'-P energy: -53.996
bonds (distance) P-C4' energy: -41.174
flat angles C4'-P-C4' energy: -54.749
flat angles P-C4'-P energy: -41.113
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: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -767.272351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.272351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.272351 (E_RNA)
where:
Base-Base interactions energy: -507.276
where: short stacking energy: -226.678
Base-Backbone interact. energy: -0.449
local terms energy: -259.547383
where:
bonds (distance) C4'-P energy: -51.619
bonds (distance) P-C4' energy: -49.055
flat angles C4'-P-C4' energy: -56.445
flat angles P-C4'-P energy: -34.347
tors. eta vs tors. theta energy: -68.081
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: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -743.950498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.950498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.950498 (E_RNA)
where:
Base-Base interactions energy: -514.549
where: short stacking energy: -215.603
Base-Backbone interact. energy: -0.234
local terms energy: -229.167639
where:
bonds (distance) C4'-P energy: -44.325
bonds (distance) P-C4' energy: -48.120
flat angles C4'-P-C4' energy: -50.031
flat angles P-C4'-P energy: -32.364
tors. eta vs tors. theta energy: -54.327
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: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -638.177426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.177426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.177426 (E_RNA)
where:
Base-Base interactions energy: -428.314
where: short stacking energy: -186.137
Base-Backbone interact. energy: -0.646
local terms energy: -209.216893
where:
bonds (distance) C4'-P energy: -48.780
bonds (distance) P-C4' energy: -44.695
flat angles C4'-P-C4' energy: -39.741
flat angles P-C4'-P energy: -34.127
tors. eta vs tors. theta energy: -41.874
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: 9, replica: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -443.554352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.554352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.554352 (E_RNA)
where:
Base-Base interactions energy: -276.722
where: short stacking energy: -126.979
Base-Backbone interact. energy: 0.953
local terms energy: -167.784892
where:
bonds (distance) C4'-P energy: -40.225
bonds (distance) P-C4' energy: -47.176
flat angles C4'-P-C4' energy: -39.403
flat angles P-C4'-P energy: -23.722
tors. eta vs tors. theta energy: -17.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -297.736845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.736845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.736845 (E_RNA)
where:
Base-Base interactions energy: -154.863
where: short stacking energy: -97.629
Base-Backbone interact. energy: 0.552
local terms energy: -143.425405
where:
bonds (distance) C4'-P energy: -38.509
bonds (distance) P-C4' energy: -50.661
flat angles C4'-P-C4' energy: -33.056
flat angles P-C4'-P energy: -18.259
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: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -949.612068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.612068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.612068 (E_RNA)
where:
Base-Base interactions energy: -673.233
where: short stacking energy: -279.569
Base-Backbone interact. energy: -0.533
local terms energy: -275.845424
where:
bonds (distance) C4'-P energy: -58.713
bonds (distance) P-C4' energy: -51.573
flat angles C4'-P-C4' energy: -59.238
flat angles P-C4'-P energy: -33.961
tors. eta vs tors. theta energy: -72.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -932.740796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.740796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.740796 (E_RNA)
where:
Base-Base interactions energy: -633.665
where: short stacking energy: -282.283
Base-Backbone interact. energy: -1.615
local terms energy: -297.460835
where:
bonds (distance) C4'-P energy: -61.309
bonds (distance) P-C4' energy: -51.765
flat angles C4'-P-C4' energy: -57.051
flat angles P-C4'-P energy: -46.117
tors. eta vs tors. theta energy: -81.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -914.249010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.249010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.249010 (E_RNA)
where:
Base-Base interactions energy: -631.929
where: short stacking energy: -271.782
Base-Backbone interact. energy: 0.598
local terms energy: -282.917462
where:
bonds (distance) C4'-P energy: -53.728
bonds (distance) P-C4' energy: -55.823
flat angles C4'-P-C4' energy: -55.106
flat angles P-C4'-P energy: -37.292
tors. eta vs tors. theta energy: -80.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -835.383518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.383518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.383518 (E_RNA)
where:
Base-Base interactions energy: -571.908
where: short stacking energy: -229.462
Base-Backbone interact. energy: -0.971
local terms energy: -262.504112
where:
bonds (distance) C4'-P energy: -48.959
bonds (distance) P-C4' energy: -46.480
flat angles C4'-P-C4' energy: -58.621
flat angles P-C4'-P energy: -39.888
tors. eta vs tors. theta energy: -68.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -819.210758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.210758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.210758 (E_RNA)
where:
Base-Base interactions energy: -560.641
where: short stacking energy: -238.392
Base-Backbone interact. energy: -1.629
local terms energy: -256.940622
where:
bonds (distance) C4'-P energy: -48.996
bonds (distance) P-C4' energy: -42.438
flat angles C4'-P-C4' energy: -50.598
flat angles P-C4'-P energy: -39.220
tors. eta vs tors. theta energy: -75.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -767.527348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.527348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.527348 (E_RNA)
where:
Base-Base interactions energy: -518.839
where: short stacking energy: -227.247
Base-Backbone interact. energy: 0.073
local terms energy: -248.761677
where:
bonds (distance) C4'-P energy: -35.238
bonds (distance) P-C4' energy: -56.935
flat angles C4'-P-C4' energy: -56.486
flat angles P-C4'-P energy: -28.767
tors. eta vs tors. theta energy: -71.336
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: 7
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -720.152872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.152872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.152872 (E_RNA)
where:
Base-Base interactions energy: -499.137
where: short stacking energy: -209.676
Base-Backbone interact. energy: 0.157
local terms energy: -221.172237
where:
bonds (distance) C4'-P energy: -45.893
bonds (distance) P-C4' energy: -45.936
flat angles C4'-P-C4' energy: -45.523
flat angles P-C4'-P energy: -32.462
tors. eta vs tors. theta energy: -51.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -594.760059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.760059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.760059 (E_RNA)
where:
Base-Base interactions energy: -368.933
where: short stacking energy: -151.186
Base-Backbone interact. energy: 0.173
local terms energy: -225.999609
where:
bonds (distance) C4'-P energy: -56.300
bonds (distance) P-C4' energy: -42.006
flat angles C4'-P-C4' energy: -55.807
flat angles P-C4'-P energy: -36.681
tors. eta vs tors. theta energy: -35.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -442.571643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.571643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.571643 (E_RNA)
where:
Base-Base interactions energy: -296.313
where: short stacking energy: -131.228
Base-Backbone interact. energy: 0.824
local terms energy: -147.083040
where:
bonds (distance) C4'-P energy: -39.580
bonds (distance) P-C4' energy: -36.896
flat angles C4'-P-C4' energy: -38.093
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -279.530585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.530585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.530585 (E_RNA)
where:
Base-Base interactions energy: -125.174
where: short stacking energy: -81.100
Base-Backbone interact. energy: -0.992
local terms energy: -153.364267
where:
bonds (distance) C4'-P energy: -47.248
bonds (distance) P-C4' energy: -52.408
flat angles C4'-P-C4' energy: -40.472
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -2.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -955.341322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.341322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.341322 (E_RNA)
where:
Base-Base interactions energy: -677.914
where: short stacking energy: -267.785
Base-Backbone interact. energy: -0.221
local terms energy: -277.206335
where:
bonds (distance) C4'-P energy: -57.926
bonds (distance) P-C4' energy: -55.462
flat angles C4'-P-C4' energy: -53.635
flat angles P-C4'-P energy: -35.407
tors. eta vs tors. theta energy: -74.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -929.901504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.901504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.901504 (E_RNA)
where:
Base-Base interactions energy: -634.099
where: short stacking energy: -258.943
Base-Backbone interact. energy: -0.727
local terms energy: -295.075878
where:
bonds (distance) C4'-P energy: -56.932
bonds (distance) P-C4' energy: -56.116
flat angles C4'-P-C4' energy: -61.126
flat angles P-C4'-P energy: -40.349
tors. eta vs tors. theta energy: -80.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -920.905580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.905580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.905580 (E_RNA)
where:
Base-Base interactions energy: -636.850
where: short stacking energy: -275.686
Base-Backbone interact. energy: 0.489
local terms energy: -284.544237
where:
bonds (distance) C4'-P energy: -48.290
bonds (distance) P-C4' energy: -51.663
flat angles C4'-P-C4' energy: -56.821
flat angles P-C4'-P energy: -43.508
tors. eta vs tors. theta energy: -84.262
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: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -820.233259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.233259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.233259 (E_RNA)
where:
Base-Base interactions energy: -553.552
where: short stacking energy: -238.136
Base-Backbone interact. energy: 3.753
local terms energy: -270.434495
where:
bonds (distance) C4'-P energy: -58.058
bonds (distance) P-C4' energy: -52.344
flat angles C4'-P-C4' energy: -56.524
flat angles P-C4'-P energy: -33.777
tors. eta vs tors. theta energy: -69.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -774.272057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.272057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.272057 (E_RNA)
where:
Base-Base interactions energy: -532.771
where: short stacking energy: -231.703
Base-Backbone interact. energy: 0.814
local terms energy: -242.314925
where:
bonds (distance) C4'-P energy: -43.524
bonds (distance) P-C4' energy: -45.161
flat angles C4'-P-C4' energy: -59.808
flat angles P-C4'-P energy: -29.950
tors. eta vs tors. theta energy: -63.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -771.880542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.880542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.880542 (E_RNA)
where:
Base-Base interactions energy: -528.266
where: short stacking energy: -230.514
Base-Backbone interact. energy: -1.190
local terms energy: -242.424749
where:
bonds (distance) C4'-P energy: -48.076
bonds (distance) P-C4' energy: -41.904
flat angles C4'-P-C4' energy: -50.817
flat angles P-C4'-P energy: -30.663
tors. eta vs tors. theta energy: -70.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -707.186552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.186552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.186552 (E_RNA)
where:
Base-Base interactions energy: -477.887
where: short stacking energy: -201.652
Base-Backbone interact. energy: -0.188
local terms energy: -229.111579
where:
bonds (distance) C4'-P energy: -48.076
bonds (distance) P-C4' energy: -49.207
flat angles C4'-P-C4' energy: -46.877
flat angles P-C4'-P energy: -25.926
tors. eta vs tors. theta energy: -59.026
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: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -649.491086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.491086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.491086 (E_RNA)
where:
Base-Base interactions energy: -441.170
where: short stacking energy: -172.714
Base-Backbone interact. energy: -1.260
local terms energy: -207.061274
where:
bonds (distance) C4'-P energy: -44.011
bonds (distance) P-C4' energy: -39.378
flat angles C4'-P-C4' energy: -52.922
flat angles P-C4'-P energy: -31.955
tors. eta vs tors. theta energy: -38.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -468.988338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.988338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.988338 (E_RNA)
where:
Base-Base interactions energy: -301.168
where: short stacking energy: -128.064
Base-Backbone interact. energy: 1.099
local terms energy: -168.918825
where:
bonds (distance) C4'-P energy: -31.286
bonds (distance) P-C4' energy: -42.955
flat angles C4'-P-C4' energy: -47.551
flat angles P-C4'-P energy: -27.956
tors. eta vs tors. theta energy: -19.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -252.317154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.317154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.317154 (E_RNA)
where:
Base-Base interactions energy: -110.065
where: short stacking energy: -81.380
Base-Backbone interact. energy: -0.410
local terms energy: -141.842708
where:
bonds (distance) C4'-P energy: -42.091
bonds (distance) P-C4' energy: -43.991
flat angles C4'-P-C4' energy: -40.707
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -0.589
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: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -936.652922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.652922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.652922 (E_RNA)
where:
Base-Base interactions energy: -666.026
where: short stacking energy: -282.182
Base-Backbone interact. energy: 0.222
local terms energy: -270.849342
where:
bonds (distance) C4'-P energy: -42.712
bonds (distance) P-C4' energy: -48.422
flat angles C4'-P-C4' energy: -51.620
flat angles P-C4'-P energy: -45.803
tors. eta vs tors. theta energy: -82.292
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: 3
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -948.934574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.934574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.934574 (E_RNA)
where:
Base-Base interactions energy: -667.276
where: short stacking energy: -297.578
Base-Backbone interact. energy: 0.781
local terms energy: -282.439437
where:
bonds (distance) C4'-P energy: -44.668
bonds (distance) P-C4' energy: -53.502
flat angles C4'-P-C4' energy: -62.193
flat angles P-C4'-P energy: -43.238
tors. eta vs tors. theta energy: -78.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -932.350283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.350283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.350283 (E_RNA)
where:
Base-Base interactions energy: -640.164
where: short stacking energy: -292.465
Base-Backbone interact. energy: -1.162
local terms energy: -291.024370
where:
bonds (distance) C4'-P energy: -45.993
bonds (distance) P-C4' energy: -51.650
flat angles C4'-P-C4' energy: -62.403
flat angles P-C4'-P energy: -40.980
tors. eta vs tors. theta energy: -89.998
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: 473
Temperature: 1.050000
Total energy: -781.625621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.625621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.625621 (E_RNA)
where:
Base-Base interactions energy: -520.015
where: short stacking energy: -225.244
Base-Backbone interact. energy: -1.509
local terms energy: -260.101825
where:
bonds (distance) C4'-P energy: -51.390
bonds (distance) P-C4' energy: -46.864
flat angles C4'-P-C4' energy: -51.627
flat angles P-C4'-P energy: -41.588
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: 8
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -782.249419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.249419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.249419 (E_RNA)
where:
Base-Base interactions energy: -534.880
where: short stacking energy: -236.198
Base-Backbone interact. energy: -0.512
local terms energy: -246.857201
where:
bonds (distance) C4'-P energy: -45.518
bonds (distance) P-C4' energy: -47.674
flat angles C4'-P-C4' energy: -48.491
flat angles P-C4'-P energy: -36.990
tors. eta vs tors. theta energy: -68.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -730.082068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.082068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.082068 (E_RNA)
where:
Base-Base interactions energy: -505.145
where: short stacking energy: -197.705
Base-Backbone interact. energy: -1.944
local terms energy: -222.993312
where:
bonds (distance) C4'-P energy: -48.838
bonds (distance) P-C4' energy: -42.006
flat angles C4'-P-C4' energy: -53.442
flat angles P-C4'-P energy: -23.550
tors. eta vs tors. theta energy: -55.158
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: 2
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -765.837365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.837365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.837365 (E_RNA)
where:
Base-Base interactions energy: -517.290
where: short stacking energy: -230.745
Base-Backbone interact. energy: -0.075
local terms energy: -248.472808
where:
bonds (distance) C4'-P energy: -41.703
bonds (distance) P-C4' energy: -57.288
flat angles C4'-P-C4' energy: -47.632
flat angles P-C4'-P energy: -33.170
tors. eta vs tors. theta energy: -68.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -621.765567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.765567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.765567 (E_RNA)
where:
Base-Base interactions energy: -423.669
where: short stacking energy: -179.275
Base-Backbone interact. energy: 1.343
local terms energy: -199.439895
where:
bonds (distance) C4'-P energy: -47.405
bonds (distance) P-C4' energy: -37.585
flat angles C4'-P-C4' energy: -37.323
flat angles P-C4'-P energy: -29.467
tors. eta vs tors. theta energy: -47.661
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: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -488.710306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.710306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.710306 (E_RNA)
where:
Base-Base interactions energy: -324.730
where: short stacking energy: -145.146
Base-Backbone interact. energy: -0.199
local terms energy: -163.781698
where:
bonds (distance) C4'-P energy: -32.375
bonds (distance) P-C4' energy: -37.701
flat angles C4'-P-C4' energy: -42.408
flat angles P-C4'-P energy: -24.455
tors. eta vs tors. theta energy: -26.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -215.687858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.687858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.687858 (E_RNA)
where:
Base-Base interactions energy: -73.072
where: short stacking energy: -63.646
Base-Backbone interact. energy: -1.650
local terms energy: -140.966310
where:
bonds (distance) C4'-P energy: -32.706
bonds (distance) P-C4' energy: -58.325
flat angles C4'-P-C4' energy: -41.910
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: 2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -953.623046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.623046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.623046 (E_RNA)
where:
Base-Base interactions energy: -657.467
where: short stacking energy: -272.921
Base-Backbone interact. energy: 0.478
local terms energy: -296.634142
where:
bonds (distance) C4'-P energy: -49.487
bonds (distance) P-C4' energy: -59.964
flat angles C4'-P-C4' energy: -58.921
flat angles P-C4'-P energy: -47.215
tors. eta vs tors. theta energy: -81.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -926.847416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.847416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.847416 (E_RNA)
where:
Base-Base interactions energy: -651.724
where: short stacking energy: -279.323
Base-Backbone interact. energy: 0.162
local terms energy: -275.285554
where:
bonds (distance) C4'-P energy: -47.317
bonds (distance) P-C4' energy: -47.516
flat angles C4'-P-C4' energy: -55.783
flat angles P-C4'-P energy: -39.796
tors. eta vs tors. theta energy: -84.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -933.313700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.313700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.313700 (E_RNA)
where:
Base-Base interactions energy: -653.883
where: short stacking energy: -311.140
Base-Backbone interact. energy: -0.470
local terms energy: -278.960630
where:
bonds (distance) C4'-P energy: -43.716
bonds (distance) P-C4' energy: -34.310
flat angles C4'-P-C4' energy: -64.461
flat angles P-C4'-P energy: -47.302
tors. eta vs tors. theta energy: -89.172
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: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -781.053743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.053743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.053743 (E_RNA)
where:
Base-Base interactions energy: -517.002
where: short stacking energy: -224.060
Base-Backbone interact. energy: -0.522
local terms energy: -263.529247
where:
bonds (distance) C4'-P energy: -52.628
bonds (distance) P-C4' energy: -53.181
flat angles C4'-P-C4' energy: -52.143
flat angles P-C4'-P energy: -42.497
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: 5, replica: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -818.083297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.083297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.083297 (E_RNA)
where:
Base-Base interactions energy: -565.890
where: short stacking energy: -231.325
Base-Backbone interact. energy: -0.508
local terms energy: -251.684987
where:
bonds (distance) C4'-P energy: -46.236
bonds (distance) P-C4' energy: -40.312
flat angles C4'-P-C4' energy: -57.273
flat angles P-C4'-P energy: -39.565
tors. eta vs tors. theta energy: -68.299
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: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -758.174455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.174455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.174455 (E_RNA)
where:
Base-Base interactions energy: -513.563
where: short stacking energy: -229.867
Base-Backbone interact. energy: -0.880
local terms energy: -243.730913
where:
bonds (distance) C4'-P energy: -37.568
bonds (distance) P-C4' energy: -45.604
flat angles C4'-P-C4' energy: -52.411
flat angles P-C4'-P energy: -41.321
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: 7, replica: 2
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -753.649410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.649410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.649410 (E_RNA)
where:
Base-Base interactions energy: -522.297
where: short stacking energy: -224.570
Base-Backbone interact. energy: -0.968
local terms energy: -230.385065
where:
bonds (distance) C4'-P energy: -35.220
bonds (distance) P-C4' energy: -52.394
flat angles C4'-P-C4' energy: -47.229
flat angles P-C4'-P energy: -32.553
tors. eta vs tors. theta energy: -62.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -686.573653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.573653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.573653 (E_RNA)
where:
Base-Base interactions energy: -448.430
where: short stacking energy: -191.541
Base-Backbone interact. energy: -0.076
local terms energy: -238.067482
where:
bonds (distance) C4'-P energy: -40.756
bonds (distance) P-C4' energy: -50.998
flat angles C4'-P-C4' energy: -51.280
flat angles P-C4'-P energy: -39.597
tors. eta vs tors. theta energy: -55.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -515.291232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.291232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.291232 (E_RNA)
where:
Base-Base interactions energy: -342.473
where: short stacking energy: -158.367
Base-Backbone interact. energy: -0.172
local terms energy: -172.646393
where:
bonds (distance) C4'-P energy: -25.936
bonds (distance) P-C4' energy: -37.564
flat angles C4'-P-C4' energy: -50.757
flat angles P-C4'-P energy: -28.416
tors. eta vs tors. theta energy: -29.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -244.971091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.971091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.971091 (E_RNA)
where:
Base-Base interactions energy: -93.125
where: short stacking energy: -86.775
Base-Backbone interact. energy: -0.703
local terms energy: -151.143449
where:
bonds (distance) C4'-P energy: -33.431
bonds (distance) P-C4' energy: -46.011
flat angles C4'-P-C4' energy: -36.620
flat angles P-C4'-P energy: -31.737
tors. eta vs tors. theta energy: -3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -951.121397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.121397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.121397 (E_RNA)
where:
Base-Base interactions energy: -666.429
where: short stacking energy: -276.768
Base-Backbone interact. energy: -1.829
local terms energy: -282.863559
where:
bonds (distance) C4'-P energy: -50.240
bonds (distance) P-C4' energy: -51.481
flat angles C4'-P-C4' energy: -60.435
flat angles P-C4'-P energy: -39.881
tors. eta vs tors. theta energy: -80.827
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: 475
Temperature: 0.950000
Total energy: -929.434368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.434368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.434368 (E_RNA)
where:
Base-Base interactions energy: -651.444
where: short stacking energy: -282.740
Base-Backbone interact. energy: 2.738
local terms energy: -280.728006
where:
bonds (distance) C4'-P energy: -47.871
bonds (distance) P-C4' energy: -54.987
flat angles C4'-P-C4' energy: -59.920
flat angles P-C4'-P energy: -34.754
tors. eta vs tors. theta energy: -83.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -912.983540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.983540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.983540 (E_RNA)
where:
Base-Base interactions energy: -650.259
where: short stacking energy: -280.406
Base-Backbone interact. energy: -1.074
local terms energy: -261.650835
where:
bonds (distance) C4'-P energy: -33.770
bonds (distance) P-C4' energy: -40.904
flat angles C4'-P-C4' energy: -58.066
flat angles P-C4'-P energy: -37.467
tors. eta vs tors. theta energy: -91.444
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: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -847.908013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.908013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.908013 (E_RNA)
where:
Base-Base interactions energy: -589.883
where: short stacking energy: -249.206
Base-Backbone interact. energy: -1.032
local terms energy: -256.992681
where:
bonds (distance) C4'-P energy: -37.013
bonds (distance) P-C4' energy: -57.928
flat angles C4'-P-C4' energy: -58.942
flat angles P-C4'-P energy: -40.163
tors. eta vs tors. theta energy: -62.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -776.242361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.242361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.242361 (E_RNA)
where:
Base-Base interactions energy: -519.788
where: short stacking energy: -236.999
Base-Backbone interact. energy: -0.268
local terms energy: -256.186529
where:
bonds (distance) C4'-P energy: -45.396
bonds (distance) P-C4' energy: -54.261
flat angles C4'-P-C4' energy: -54.612
flat angles P-C4'-P energy: -35.857
tors. eta vs tors. theta energy: -66.062
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: 6, replica: 7
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -728.384224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.384224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.384224 (E_RNA)
where:
Base-Base interactions energy: -497.457
where: short stacking energy: -214.833
Base-Backbone interact. energy: -0.437
local terms energy: -230.489588
where:
bonds (distance) C4'-P energy: -44.092
bonds (distance) P-C4' energy: -49.579
flat angles C4'-P-C4' energy: -42.256
flat angles P-C4'-P energy: -38.155
tors. eta vs tors. theta energy: -56.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -733.302144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.302144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.302144 (E_RNA)
where:
Base-Base interactions energy: -502.512
where: short stacking energy: -196.367
Base-Backbone interact. energy: -0.391
local terms energy: -230.398821
where:
bonds (distance) C4'-P energy: -49.669
bonds (distance) P-C4' energy: -35.337
flat angles C4'-P-C4' energy: -49.205
flat angles P-C4'-P energy: -37.404
tors. eta vs tors. theta energy: -58.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -667.095706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.095706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.095706 (E_RNA)
where:
Base-Base interactions energy: -443.586
where: short stacking energy: -197.449
Base-Backbone interact. energy: 0.224
local terms energy: -223.734078
where:
bonds (distance) C4'-P energy: -44.245
bonds (distance) P-C4' energy: -49.083
flat angles C4'-P-C4' energy: -44.197
flat angles P-C4'-P energy: -34.783
tors. eta vs tors. theta energy: -51.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -533.260915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.260915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.260915 (E_RNA)
where:
Base-Base interactions energy: -349.149
where: short stacking energy: -145.678
Base-Backbone interact. energy: 0.236
local terms energy: -184.348362
where:
bonds (distance) C4'-P energy: -35.251
bonds (distance) P-C4' energy: -49.446
flat angles C4'-P-C4' energy: -43.047
flat angles P-C4'-P energy: -25.559
tors. eta vs tors. theta energy: -31.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -218.516485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.516485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.516485 (E_RNA)
where:
Base-Base interactions energy: -85.032
where: short stacking energy: -75.399
Base-Backbone interact. energy: -0.190
local terms energy: -133.294337
where:
bonds (distance) C4'-P energy: -46.176
bonds (distance) P-C4' energy: -31.259
flat angles C4'-P-C4' energy: -29.172
flat angles P-C4'-P energy: -23.731
tors. eta vs tors. theta energy: -2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -959.279447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.279447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.279447 (E_RNA)
where:
Base-Base interactions energy: -671.968
where: short stacking energy: -280.027
Base-Backbone interact. energy: 4.734
local terms energy: -292.045032
where:
bonds (distance) C4'-P energy: -55.593
bonds (distance) P-C4' energy: -53.130
flat angles C4'-P-C4' energy: -53.969
flat angles P-C4'-P energy: -44.588
tors. eta vs tors. theta energy: -84.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -937.485495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.485495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.485495 (E_RNA)
where:
Base-Base interactions energy: -643.458
where: short stacking energy: -281.542
Base-Backbone interact. energy: -1.412
local terms energy: -292.615549
where:
bonds (distance) C4'-P energy: -46.996
bonds (distance) P-C4' energy: -56.769
flat angles C4'-P-C4' energy: -57.745
flat angles P-C4'-P energy: -44.687
tors. eta vs tors. theta energy: -86.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -861.718413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.718413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.718413 (E_RNA)
where:
Base-Base interactions energy: -602.469
where: short stacking energy: -250.273
Base-Backbone interact. energy: -0.390
local terms energy: -258.859050
where:
bonds (distance) C4'-P energy: -50.695
bonds (distance) P-C4' energy: -54.327
flat angles C4'-P-C4' energy: -49.467
flat angles P-C4'-P energy: -37.759
tors. eta vs tors. theta energy: -66.612
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: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -880.230758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.230758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.230758 (E_RNA)
where:
Base-Base interactions energy: -621.426
where: short stacking energy: -262.240
Base-Backbone interact. energy: -1.168
local terms energy: -257.637043
where:
bonds (distance) C4'-P energy: -44.818
bonds (distance) P-C4' energy: -42.388
flat angles C4'-P-C4' energy: -48.867
flat angles P-C4'-P energy: -43.062
tors. eta vs tors. theta energy: -78.502
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: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -766.634724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.634724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.634724 (E_RNA)
where:
Base-Base interactions energy: -526.337
where: short stacking energy: -243.258
Base-Backbone interact. energy: 2.323
local terms energy: -242.619946
where:
bonds (distance) C4'-P energy: -41.516
bonds (distance) P-C4' energy: -49.007
flat angles C4'-P-C4' energy: -49.348
flat angles P-C4'-P energy: -38.688
tors. eta vs tors. theta energy: -64.062
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: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -723.273907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.273907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.273907 (E_RNA)
where:
Base-Base interactions energy: -494.019
where: short stacking energy: -213.813
Base-Backbone interact. energy: -0.254
local terms energy: -229.000335
where:
bonds (distance) C4'-P energy: -49.655
bonds (distance) P-C4' energy: -39.429
flat angles C4'-P-C4' energy: -47.079
flat angles P-C4'-P energy: -29.964
tors. eta vs tors. theta energy: -62.874
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: 2
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -774.772860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.772860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.772860 (E_RNA)
where:
Base-Base interactions energy: -528.056
where: short stacking energy: -226.605
Base-Backbone interact. energy: 1.437
local terms energy: -248.153646
where:
bonds (distance) C4'-P energy: -42.392
bonds (distance) P-C4' energy: -51.505
flat angles C4'-P-C4' energy: -55.893
flat angles P-C4'-P energy: -36.497
tors. eta vs tors. theta energy: -61.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -679.827885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.827885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.827885 (E_RNA)
where:
Base-Base interactions energy: -449.248
where: short stacking energy: -188.948
Base-Backbone interact. energy: 2.826
local terms energy: -233.405587
where:
bonds (distance) C4'-P energy: -46.600
bonds (distance) P-C4' energy: -47.540
flat angles C4'-P-C4' energy: -45.196
flat angles P-C4'-P energy: -36.282
tors. eta vs tors. theta energy: -57.787
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: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -602.817646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.817646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.817646 (E_RNA)
where:
Base-Base interactions energy: -370.685
where: short stacking energy: -171.633
Base-Backbone interact. energy: 0.372
local terms energy: -232.504595
where:
bonds (distance) C4'-P energy: -53.840
bonds (distance) P-C4' energy: -56.004
flat angles C4'-P-C4' energy: -37.264
flat angles P-C4'-P energy: -32.845
tors. eta vs tors. theta energy: -52.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -254.046115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.046115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.046115 (E_RNA)
where:
Base-Base interactions energy: -118.662
where: short stacking energy: -83.480
Base-Backbone interact. energy: 0.339
local terms energy: -135.722842
where:
bonds (distance) C4'-P energy: -39.167
bonds (distance) P-C4' energy: -37.788
flat angles C4'-P-C4' energy: -37.043
flat angles P-C4'-P energy: -24.502
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: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -957.823763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.823763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.823763 (E_RNA)
where:
Base-Base interactions energy: -669.212
where: short stacking energy: -282.131
Base-Backbone interact. energy: -0.627
local terms energy: -287.984755
where:
bonds (distance) C4'-P energy: -50.467
bonds (distance) P-C4' energy: -53.281
flat angles C4'-P-C4' energy: -59.837
flat angles P-C4'-P energy: -40.647
tors. eta vs tors. theta energy: -83.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -954.085704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.085704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.085704 (E_RNA)
where:
Base-Base interactions energy: -650.211
where: short stacking energy: -299.161
Base-Backbone interact. energy: -0.006
local terms energy: -303.868990
where:
bonds (distance) C4'-P energy: -52.867
bonds (distance) P-C4' energy: -59.836
flat angles C4'-P-C4' energy: -51.227
flat angles P-C4'-P energy: -47.955
tors. eta vs tors. theta energy: -91.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -852.006760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.006760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.006760 (E_RNA)
where:
Base-Base interactions energy: -584.541
where: short stacking energy: -241.637
Base-Backbone interact. energy: 0.785
local terms energy: -268.250439
where:
bonds (distance) C4'-P energy: -51.718
bonds (distance) P-C4' energy: -55.460
flat angles C4'-P-C4' energy: -53.833
flat angles P-C4'-P energy: -37.385
tors. eta vs tors. theta energy: -69.854
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: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -892.269252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.269252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.269252 (E_RNA)
where:
Base-Base interactions energy: -628.720
where: short stacking energy: -282.172
Base-Backbone interact. energy: -0.878
local terms energy: -262.671629
where:
bonds (distance) C4'-P energy: -37.292
bonds (distance) P-C4' energy: -46.576
flat angles C4'-P-C4' energy: -58.915
flat angles P-C4'-P energy: -35.698
tors. eta vs tors. theta energy: -84.190
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: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -767.158453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.158453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.158453 (E_RNA)
where:
Base-Base interactions energy: -518.339
where: short stacking energy: -223.990
Base-Backbone interact. energy: -0.087
local terms energy: -248.732968
where:
bonds (distance) C4'-P energy: -51.388
bonds (distance) P-C4' energy: -51.791
flat angles C4'-P-C4' energy: -52.145
flat angles P-C4'-P energy: -32.420
tors. eta vs tors. theta energy: -60.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -778.281069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.281069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.281069 (E_RNA)
where:
Base-Base interactions energy: -523.472
where: short stacking energy: -233.562
Base-Backbone interact. energy: -0.830
local terms energy: -253.980025
where:
bonds (distance) C4'-P energy: -50.213
bonds (distance) P-C4' energy: -44.757
flat angles C4'-P-C4' energy: -50.626
flat angles P-C4'-P energy: -41.843
tors. eta vs tors. theta energy: -66.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -715.292100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.292100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.292100 (E_RNA)
where:
Base-Base interactions energy: -483.456
where: short stacking energy: -202.375
Base-Backbone interact. energy: 0.182
local terms energy: -232.018415
where:
bonds (distance) C4'-P energy: -48.023
bonds (distance) P-C4' energy: -35.196
flat angles C4'-P-C4' energy: -53.849
flat angles P-C4'-P energy: -37.765
tors. eta vs tors. theta energy: -57.186
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: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -681.144679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.144679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.144679 (E_RNA)
where:
Base-Base interactions energy: -474.203
where: short stacking energy: -195.735
Base-Backbone interact. energy: 4.043
local terms energy: -210.984450
where:
bonds (distance) C4'-P energy: -40.504
bonds (distance) P-C4' energy: -44.395
flat angles C4'-P-C4' energy: -48.091
flat angles P-C4'-P energy: -25.743
tors. eta vs tors. theta energy: -52.252
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: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -543.722974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.722974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.722974 (E_RNA)
where:
Base-Base interactions energy: -343.784
where: short stacking energy: -153.494
Base-Backbone interact. energy: 1.697
local terms energy: -201.635633
where:
bonds (distance) C4'-P energy: -47.865
bonds (distance) P-C4' energy: -49.795
flat angles C4'-P-C4' energy: -51.548
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: -32.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -252.801844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.801844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.801844 (E_RNA)
where:
Base-Base interactions energy: -122.627
where: short stacking energy: -64.924
Base-Backbone interact. energy: 3.674
local terms energy: -133.848148
where:
bonds (distance) C4'-P energy: -47.221
bonds (distance) P-C4' energy: -43.649
flat angles C4'-P-C4' energy: -34.731
flat angles P-C4'-P energy: -20.908
tors. eta vs tors. theta energy: 12.661
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: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -974.345753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.345753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.345753 (E_RNA)
where:
Base-Base interactions energy: -663.033
where: short stacking energy: -301.714
Base-Backbone interact. energy: -1.056
local terms energy: -310.256699
where:
bonds (distance) C4'-P energy: -56.406
bonds (distance) P-C4' energy: -52.632
flat angles C4'-P-C4' energy: -65.166
flat angles P-C4'-P energy: -44.792
tors. eta vs tors. theta energy: -91.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -920.684437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.684437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.684437 (E_RNA)
where:
Base-Base interactions energy: -636.261
where: short stacking energy: -258.993
Base-Backbone interact. energy: -0.115
local terms energy: -284.308536
where:
bonds (distance) C4'-P energy: -57.134
bonds (distance) P-C4' energy: -45.067
flat angles C4'-P-C4' energy: -65.152
flat angles P-C4'-P energy: -43.218
tors. eta vs tors. theta energy: -73.738
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: 3, replica: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -856.981008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.981008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.981008 (E_RNA)
where:
Base-Base interactions energy: -599.971
where: short stacking energy: -248.134
Base-Backbone interact. energy: -0.808
local terms energy: -256.202154
where:
bonds (distance) C4'-P energy: -50.872
bonds (distance) P-C4' energy: -46.360
flat angles C4'-P-C4' energy: -50.218
flat angles P-C4'-P energy: -34.976
tors. eta vs tors. theta energy: -73.776
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: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -890.755372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.755372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.755372 (E_RNA)
where:
Base-Base interactions energy: -612.692
where: short stacking energy: -273.665
Base-Backbone interact. energy: -1.691
local terms energy: -276.372572
where:
bonds (distance) C4'-P energy: -46.546
bonds (distance) P-C4' energy: -55.515
flat angles C4'-P-C4' energy: -57.242
flat angles P-C4'-P energy: -31.271
tors. eta vs tors. theta energy: -85.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -811.411091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.411091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.411091 (E_RNA)
where:
Base-Base interactions energy: -547.471
where: short stacking energy: -243.563
Base-Backbone interact. energy: 0.019
local terms energy: -263.959086
where:
bonds (distance) C4'-P energy: -55.783
bonds (distance) P-C4' energy: -49.275
flat angles C4'-P-C4' energy: -51.949
flat angles P-C4'-P energy: -38.509
tors. eta vs tors. theta energy: -68.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -760.292097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.292097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.292097 (E_RNA)
where:
Base-Base interactions energy: -515.653
where: short stacking energy: -226.238
Base-Backbone interact. energy: -0.377
local terms energy: -244.261623
where:
bonds (distance) C4'-P energy: -34.676
bonds (distance) P-C4' energy: -56.792
flat angles C4'-P-C4' energy: -50.650
flat angles P-C4'-P energy: -38.690
tors. eta vs tors. theta energy: -63.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -721.637969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.637969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.637969 (E_RNA)
where:
Base-Base interactions energy: -495.001
where: short stacking energy: -199.757
Base-Backbone interact. energy: -0.709
local terms energy: -225.928837
where:
bonds (distance) C4'-P energy: -45.506
bonds (distance) P-C4' energy: -43.129
flat angles C4'-P-C4' energy: -48.520
flat angles P-C4'-P energy: -33.295
tors. eta vs tors. theta energy: -55.480
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: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -690.509287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.509287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.509287 (E_RNA)
where:
Base-Base interactions energy: -474.525
where: short stacking energy: -186.672
Base-Backbone interact. energy: -0.893
local terms energy: -215.091217
where:
bonds (distance) C4'-P energy: -37.283
bonds (distance) P-C4' energy: -39.623
flat angles C4'-P-C4' energy: -41.489
flat angles P-C4'-P energy: -33.913
tors. eta vs tors. theta energy: -62.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -533.964809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.964809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.964809 (E_RNA)
where:
Base-Base interactions energy: -343.972
where: short stacking energy: -150.322
Base-Backbone interact. energy: 0.164
local terms energy: -190.157099
where:
bonds (distance) C4'-P energy: -50.986
bonds (distance) P-C4' energy: -40.661
flat angles C4'-P-C4' energy: -48.902
flat angles P-C4'-P energy: -14.036
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: 10, replica: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -261.288563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.288563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.288563 (E_RNA)
where:
Base-Base interactions energy: -121.146
where: short stacking energy: -72.772
Base-Backbone interact. energy: -1.600
local terms energy: -138.542830
where:
bonds (distance) C4'-P energy: -31.733
bonds (distance) P-C4' energy: -59.033
flat angles C4'-P-C4' energy: -38.630
flat angles P-C4'-P energy: -24.579
tors. eta vs tors. theta energy: 15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -970.537519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.537519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.537519 (E_RNA)
where:
Base-Base interactions energy: -668.619
where: short stacking energy: -300.576
Base-Backbone interact. energy: -1.020
local terms energy: -300.898053
where:
bonds (distance) C4'-P energy: -53.299
bonds (distance) P-C4' energy: -58.806
flat angles C4'-P-C4' energy: -62.715
flat angles P-C4'-P energy: -41.898
tors. eta vs tors. theta energy: -84.180
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: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -944.355126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.355126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.355126 (E_RNA)
where:
Base-Base interactions energy: -645.238
where: short stacking energy: -271.830
Base-Backbone interact. energy: -1.450
local terms energy: -297.667092
where:
bonds (distance) C4'-P energy: -53.163
bonds (distance) P-C4' energy: -57.470
flat angles C4'-P-C4' energy: -58.202
flat angles P-C4'-P energy: -45.034
tors. eta vs tors. theta energy: -83.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -839.825075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.825075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.825075 (E_RNA)
where:
Base-Base interactions energy: -588.179
where: short stacking energy: -254.947
Base-Backbone interact. energy: -0.893
local terms energy: -250.753336
where:
bonds (distance) C4'-P energy: -49.019
bonds (distance) P-C4' energy: -45.870
flat angles C4'-P-C4' energy: -48.072
flat angles P-C4'-P energy: -32.154
tors. eta vs tors. theta energy: -75.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -892.723870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.723870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.723870 (E_RNA)
where:
Base-Base interactions energy: -625.612
where: short stacking energy: -266.571
Base-Backbone interact. energy: -0.738
local terms energy: -266.373760
where:
bonds (distance) C4'-P energy: -46.386
bonds (distance) P-C4' energy: -40.614
flat angles C4'-P-C4' energy: -61.667
flat angles P-C4'-P energy: -38.675
tors. eta vs tors. theta energy: -79.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -806.615081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.615081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.615081 (E_RNA)
where:
Base-Base interactions energy: -546.390
where: short stacking energy: -241.688
Base-Backbone interact. energy: 0.011
local terms energy: -260.236145
where:
bonds (distance) C4'-P energy: -52.786
bonds (distance) P-C4' energy: -48.295
flat angles C4'-P-C4' energy: -47.929
flat angles P-C4'-P energy: -38.098
tors. eta vs tors. theta energy: -73.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -779.618169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.618169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.618169 (E_RNA)
where:
Base-Base interactions energy: -534.172
where: short stacking energy: -239.276
Base-Backbone interact. energy: 1.319
local terms energy: -246.764844
where:
bonds (distance) C4'-P energy: -52.037
bonds (distance) P-C4' energy: -41.870
flat angles C4'-P-C4' energy: -58.018
flat angles P-C4'-P energy: -32.267
tors. eta vs tors. theta energy: -62.572
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: 479
Temperature: 1.200000
Total energy: -714.606969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.606969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.606969 (E_RNA)
where:
Base-Base interactions energy: -482.086
where: short stacking energy: -198.661
Base-Backbone interact. energy: -1.141
local terms energy: -231.379863
where:
bonds (distance) C4'-P energy: -41.822
bonds (distance) P-C4' energy: -51.283
flat angles C4'-P-C4' energy: -48.743
flat angles P-C4'-P energy: -32.918
tors. eta vs tors. theta energy: -56.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -691.613447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.613447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.613447 (E_RNA)
where:
Base-Base interactions energy: -488.425
where: short stacking energy: -199.890
Base-Backbone interact. energy: 4.847
local terms energy: -208.035224
where:
bonds (distance) C4'-P energy: -40.131
bonds (distance) P-C4' energy: -38.305
flat angles C4'-P-C4' energy: -51.150
flat angles P-C4'-P energy: -24.686
tors. eta vs tors. theta energy: -53.763
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: 9, replica: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -571.321179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.321179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.321179 (E_RNA)
where:
Base-Base interactions energy: -339.313
where: short stacking energy: -157.558
Base-Backbone interact. energy: -0.634
local terms energy: -231.374230
where:
bonds (distance) C4'-P energy: -37.554
bonds (distance) P-C4' energy: -59.811
flat angles C4'-P-C4' energy: -50.190
flat angles P-C4'-P energy: -41.227
tors. eta vs tors. theta energy: -42.592
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: 479
Temperature: 1.350000
Total energy: -226.828722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.828722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.828722 (E_RNA)
where:
Base-Base interactions energy: -78.767
where: short stacking energy: -63.943
Base-Backbone interact. energy: 1.000
local terms energy: -149.061335
where:
bonds (distance) C4'-P energy: -49.884
bonds (distance) P-C4' energy: -40.557
flat angles C4'-P-C4' energy: -30.468
flat angles P-C4'-P energy: -25.966
tors. eta vs tors. theta energy: -2.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -961.833160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.833160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.833160 (E_RNA)
where:
Base-Base interactions energy: -669.420
where: short stacking energy: -289.319
Base-Backbone interact. energy: -1.864
local terms energy: -290.549890
where:
bonds (distance) C4'-P energy: -47.192
bonds (distance) P-C4' energy: -56.827
flat angles C4'-P-C4' energy: -62.038
flat angles P-C4'-P energy: -42.568
tors. eta vs tors. theta energy: -81.925
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: 3
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -949.186228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.186228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.186228 (E_RNA)
where:
Base-Base interactions energy: -655.506
where: short stacking energy: -288.054
Base-Backbone interact. energy: -1.448
local terms energy: -292.232251
where:
bonds (distance) C4'-P energy: -51.681
bonds (distance) P-C4' energy: -51.891
flat angles C4'-P-C4' energy: -65.289
flat angles P-C4'-P energy: -38.141
tors. eta vs tors. theta energy: -85.231
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: 480
Temperature: 1.000000
Total energy: -915.827489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.827489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.827489 (E_RNA)
where:
Base-Base interactions energy: -633.597
where: short stacking energy: -275.341
Base-Backbone interact. energy: 0.406
local terms energy: -282.636287
where:
bonds (distance) C4'-P energy: -45.977
bonds (distance) P-C4' energy: -50.854
flat angles C4'-P-C4' energy: -62.693
flat angles P-C4'-P energy: -43.166
tors. eta vs tors. theta energy: -79.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -853.519380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.519380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.519380 (E_RNA)
where:
Base-Base interactions energy: -588.819
where: short stacking energy: -260.296
Base-Backbone interact. energy: 0.447
local terms energy: -265.147619
where:
bonds (distance) C4'-P energy: -46.849
bonds (distance) P-C4' energy: -54.720
flat angles C4'-P-C4' energy: -53.248
flat angles P-C4'-P energy: -37.463
tors. eta vs tors. theta energy: -72.868
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: 480
Temperature: 1.100000
Total energy: -819.857745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.857745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.857745 (E_RNA)
where:
Base-Base interactions energy: -563.507
where: short stacking energy: -256.156
Base-Backbone interact. energy: 0.639
local terms energy: -256.989856
where:
bonds (distance) C4'-P energy: -45.715
bonds (distance) P-C4' energy: -44.866
flat angles C4'-P-C4' energy: -53.061
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -73.568
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: 5
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -777.745108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.745108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.745108 (E_RNA)
where:
Base-Base interactions energy: -543.613
where: short stacking energy: -218.616
Base-Backbone interact. energy: -0.424
local terms energy: -233.708261
where:
bonds (distance) C4'-P energy: -45.840
bonds (distance) P-C4' energy: -51.677
flat angles C4'-P-C4' energy: -40.115
flat angles P-C4'-P energy: -35.874
tors. eta vs tors. theta energy: -60.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -731.014845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.014845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.014845 (E_RNA)
where:
Base-Base interactions energy: -501.839
where: short stacking energy: -220.584
Base-Backbone interact. energy: -0.214
local terms energy: -228.961614
where:
bonds (distance) C4'-P energy: -29.135
bonds (distance) P-C4' energy: -47.838
flat angles C4'-P-C4' energy: -55.066
flat angles P-C4'-P energy: -38.614
tors. eta vs tors. theta energy: -58.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -699.487913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.487913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.487913 (E_RNA)
where:
Base-Base interactions energy: -469.243
where: short stacking energy: -189.615
Base-Backbone interact. energy: -0.362
local terms energy: -229.882120
where:
bonds (distance) C4'-P energy: -46.523
bonds (distance) P-C4' energy: -48.178
flat angles C4'-P-C4' energy: -54.140
flat angles P-C4'-P energy: -35.035
tors. eta vs tors. theta energy: -46.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -547.399280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.399280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.399280 (E_RNA)
where:
Base-Base interactions energy: -354.410
where: short stacking energy: -154.048
Base-Backbone interact. energy: -0.665
local terms energy: -192.324859
where:
bonds (distance) C4'-P energy: -47.329
bonds (distance) P-C4' energy: -43.495
flat angles C4'-P-C4' energy: -41.095
flat angles P-C4'-P energy: -32.034
tors. eta vs tors. theta energy: -28.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -223.084700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.084700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.084700 (E_RNA)
where:
Base-Base interactions energy: -83.608
where: short stacking energy: -54.285
Base-Backbone interact. energy: -3.596
local terms energy: -135.880490
where:
bonds (distance) C4'-P energy: -42.863
bonds (distance) P-C4' energy: -48.718
flat angles C4'-P-C4' energy: -39.373
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: 9.001
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: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -954.751226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.751226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.751226 (E_RNA)
where:
Base-Base interactions energy: -664.558
where: short stacking energy: -293.416
Base-Backbone interact. energy: -1.256
local terms energy: -288.937241
where:
bonds (distance) C4'-P energy: -50.130
bonds (distance) P-C4' energy: -51.701
flat angles C4'-P-C4' energy: -59.431
flat angles P-C4'-P energy: -41.685
tors. eta vs tors. theta energy: -85.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -933.766491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.766491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.766491 (E_RNA)
where:
Base-Base interactions energy: -647.729
where: short stacking energy: -278.756
Base-Backbone interact. energy: -1.014
local terms energy: -285.023171
where:
bonds (distance) C4'-P energy: -56.138
bonds (distance) P-C4' energy: -44.052
flat angles C4'-P-C4' energy: -59.182
flat angles P-C4'-P energy: -45.032
tors. eta vs tors. theta energy: -80.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -922.532045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.532045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.532045 (E_RNA)
where:
Base-Base interactions energy: -638.623
where: short stacking energy: -278.089
Base-Backbone interact. energy: 0.212
local terms energy: -284.120818
where:
bonds (distance) C4'-P energy: -50.485
bonds (distance) P-C4' energy: -46.592
flat angles C4'-P-C4' energy: -63.452
flat angles P-C4'-P energy: -41.392
tors. eta vs tors. theta energy: -82.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -837.713525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.713525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.713525 (E_RNA)
where:
Base-Base interactions energy: -577.649
where: short stacking energy: -235.086
Base-Backbone interact. energy: -0.782
local terms energy: -259.281772
where:
bonds (distance) C4'-P energy: -47.040
bonds (distance) P-C4' energy: -50.291
flat angles C4'-P-C4' energy: -61.981
flat angles P-C4'-P energy: -32.696
tors. eta vs tors. theta energy: -67.273
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: 2
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -817.515787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.515787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.515787 (E_RNA)
where:
Base-Base interactions energy: -551.503
where: short stacking energy: -248.150
Base-Backbone interact. energy: -0.700
local terms energy: -265.312234
where:
bonds (distance) C4'-P energy: -52.641
bonds (distance) P-C4' energy: -47.212
flat angles C4'-P-C4' energy: -50.768
flat angles P-C4'-P energy: -41.404
tors. eta vs tors. theta energy: -73.287
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: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -756.837292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.837292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.837292 (E_RNA)
where:
Base-Base interactions energy: -501.064
where: short stacking energy: -230.335
Base-Backbone interact. energy: -1.456
local terms energy: -254.317779
where:
bonds (distance) C4'-P energy: -50.323
bonds (distance) P-C4' energy: -51.361
flat angles C4'-P-C4' energy: -56.527
flat angles P-C4'-P energy: -31.065
tors. eta vs tors. theta energy: -65.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -720.467097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.467097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.467097 (E_RNA)
where:
Base-Base interactions energy: -495.261
where: short stacking energy: -217.266
Base-Backbone interact. energy: -1.639
local terms energy: -223.567751
where:
bonds (distance) C4'-P energy: -47.545
bonds (distance) P-C4' energy: -40.998
flat angles C4'-P-C4' energy: -54.225
flat angles P-C4'-P energy: -32.358
tors. eta vs tors. theta energy: -48.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -689.492325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.492325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.492325 (E_RNA)
where:
Base-Base interactions energy: -459.054
where: short stacking energy: -198.084
Base-Backbone interact. energy: -2.341
local terms energy: -228.097260
where:
bonds (distance) C4'-P energy: -47.534
bonds (distance) P-C4' energy: -47.614
flat angles C4'-P-C4' energy: -48.979
flat angles P-C4'-P energy: -32.963
tors. eta vs tors. theta energy: -51.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -538.888291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.888291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.888291 (E_RNA)
where:
Base-Base interactions energy: -333.190
where: short stacking energy: -155.545
Base-Backbone interact. energy: -0.242
local terms energy: -205.455903
where:
bonds (distance) C4'-P energy: -43.826
bonds (distance) P-C4' energy: -40.780
flat angles C4'-P-C4' energy: -49.991
flat angles P-C4'-P energy: -34.135
tors. eta vs tors. theta energy: -36.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -230.887234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.887234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.887234 (E_RNA)
where:
Base-Base interactions energy: -79.777
where: short stacking energy: -65.938
Base-Backbone interact. energy: -0.610
local terms energy: -150.500284
where:
bonds (distance) C4'-P energy: -52.820
bonds (distance) P-C4' energy: -36.049
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -29.376
tors. eta vs tors. theta energy: 1.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -958.689800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.689800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.689800 (E_RNA)
where:
Base-Base interactions energy: -664.914
where: short stacking energy: -294.345
Base-Backbone interact. energy: -1.066
local terms energy: -292.710340
where:
bonds (distance) C4'-P energy: -53.517
bonds (distance) P-C4' energy: -57.652
flat angles C4'-P-C4' energy: -59.698
flat angles P-C4'-P energy: -35.656
tors. eta vs tors. theta energy: -86.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -937.165216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.165216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.165216 (E_RNA)
where:
Base-Base interactions energy: -645.640
where: short stacking energy: -293.306
Base-Backbone interact. energy: -0.482
local terms energy: -291.043026
where:
bonds (distance) C4'-P energy: -49.591
bonds (distance) P-C4' energy: -48.650
flat angles C4'-P-C4' energy: -60.187
flat angles P-C4'-P energy: -44.312
tors. eta vs tors. theta energy: -88.303
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: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -896.395807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.395807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.395807 (E_RNA)
where:
Base-Base interactions energy: -623.751
where: short stacking energy: -280.394
Base-Backbone interact. energy: -0.311
local terms energy: -272.334041
where:
bonds (distance) C4'-P energy: -50.245
bonds (distance) P-C4' energy: -45.768
flat angles C4'-P-C4' energy: -51.879
flat angles P-C4'-P energy: -41.616
tors. eta vs tors. theta energy: -82.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -844.376791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.376791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.376791 (E_RNA)
where:
Base-Base interactions energy: -591.295
where: short stacking energy: -238.599
Base-Backbone interact. energy: -0.718
local terms energy: -252.363515
where:
bonds (distance) C4'-P energy: -44.689
bonds (distance) P-C4' energy: -56.700
flat angles C4'-P-C4' energy: -56.676
flat angles P-C4'-P energy: -34.108
tors. eta vs tors. theta energy: -60.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -819.802853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.802853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.802853 (E_RNA)
where:
Base-Base interactions energy: -561.389
where: short stacking energy: -254.570
Base-Backbone interact. energy: -0.685
local terms energy: -257.728688
where:
bonds (distance) C4'-P energy: -46.036
bonds (distance) P-C4' energy: -52.516
flat angles C4'-P-C4' energy: -58.331
flat angles P-C4'-P energy: -30.297
tors. eta vs tors. theta energy: -70.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -731.093304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.093304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.093304 (E_RNA)
where:
Base-Base interactions energy: -497.634
where: short stacking energy: -216.638
Base-Backbone interact. energy: 0.003
local terms energy: -233.462313
where:
bonds (distance) C4'-P energy: -45.213
bonds (distance) P-C4' energy: -43.640
flat angles C4'-P-C4' energy: -45.311
flat angles P-C4'-P energy: -35.913
tors. eta vs tors. theta energy: -63.386
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: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -695.555959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.555959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.555959 (E_RNA)
where:
Base-Base interactions energy: -469.469
where: short stacking energy: -205.336
Base-Backbone interact. energy: -0.979
local terms energy: -225.108059
where:
bonds (distance) C4'-P energy: -48.428
bonds (distance) P-C4' energy: -45.397
flat angles C4'-P-C4' energy: -54.863
flat angles P-C4'-P energy: -21.086
tors. eta vs tors. theta energy: -55.334
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: 7
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -713.991603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.991603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.991603 (E_RNA)
where:
Base-Base interactions energy: -505.507
where: short stacking energy: -210.141
Base-Backbone interact. energy: -0.048
local terms energy: -208.436424
where:
bonds (distance) C4'-P energy: -37.775
bonds (distance) P-C4' energy: -39.245
flat angles C4'-P-C4' energy: -42.989
flat angles P-C4'-P energy: -34.021
tors. eta vs tors. theta energy: -54.407
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: 4
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -539.112268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.112268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.112268 (E_RNA)
where:
Base-Base interactions energy: -340.448
where: short stacking energy: -165.157
Base-Backbone interact. energy: -0.318
local terms energy: -198.345951
where:
bonds (distance) C4'-P energy: -42.342
bonds (distance) P-C4' energy: -49.752
flat angles C4'-P-C4' energy: -47.751
flat angles P-C4'-P energy: -24.052
tors. eta vs tors. theta energy: -34.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -232.641320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.641320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.641320 (E_RNA)
where:
Base-Base interactions energy: -78.617
where: short stacking energy: -70.067
Base-Backbone interact. energy: -1.055
local terms energy: -152.969176
where:
bonds (distance) C4'-P energy: -37.785
bonds (distance) P-C4' energy: -42.847
flat angles C4'-P-C4' energy: -44.449
flat angles P-C4'-P energy: -24.367
tors. eta vs tors. theta energy: -3.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -961.784755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.784755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.784755 (E_RNA)
where:
Base-Base interactions energy: -671.616
where: short stacking energy: -283.651
Base-Backbone interact. energy: -0.285
local terms energy: -289.883271
where:
bonds (distance) C4'-P energy: -56.304
bonds (distance) P-C4' energy: -55.585
flat angles C4'-P-C4' energy: -57.608
flat angles P-C4'-P energy: -34.888
tors. eta vs tors. theta energy: -85.497
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: 2, replica: 1
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -924.989463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.989463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.989463 (E_RNA)
where:
Base-Base interactions energy: -644.768
where: short stacking energy: -296.774
Base-Backbone interact. energy: 0.606
local terms energy: -280.827995
where:
bonds (distance) C4'-P energy: -52.381
bonds (distance) P-C4' energy: -49.996
flat angles C4'-P-C4' energy: -52.189
flat angles P-C4'-P energy: -41.061
tors. eta vs tors. theta energy: -85.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -926.764387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.764387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.764387 (E_RNA)
where:
Base-Base interactions energy: -645.556
where: short stacking energy: -283.535
Base-Backbone interact. energy: -1.719
local terms energy: -279.489187
where:
bonds (distance) C4'-P energy: -49.503
bonds (distance) P-C4' energy: -53.898
flat angles C4'-P-C4' energy: -57.160
flat angles P-C4'-P energy: -37.280
tors. eta vs tors. theta energy: -81.649
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: 8
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -859.667815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.667815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.667815 (E_RNA)
where:
Base-Base interactions energy: -606.644
where: short stacking energy: -265.452
Base-Backbone interact. energy: -0.919
local terms energy: -252.104381
where:
bonds (distance) C4'-P energy: -45.517
bonds (distance) P-C4' energy: -46.256
flat angles C4'-P-C4' energy: -50.754
flat angles P-C4'-P energy: -37.278
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: 5, replica: 2
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -813.476622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.476622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.476622 (E_RNA)
where:
Base-Base interactions energy: -552.216
where: short stacking energy: -244.413
Base-Backbone interact. energy: 1.182
local terms energy: -262.442265
where:
bonds (distance) C4'-P energy: -53.347
bonds (distance) P-C4' energy: -44.024
flat angles C4'-P-C4' energy: -56.651
flat angles P-C4'-P energy: -37.708
tors. eta vs tors. theta energy: -70.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -749.013480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.013480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.013480 (E_RNA)
where:
Base-Base interactions energy: -506.197
where: short stacking energy: -228.399
Base-Backbone interact. energy: -1.272
local terms energy: -241.544298
where:
bonds (distance) C4'-P energy: -42.975
bonds (distance) P-C4' energy: -45.783
flat angles C4'-P-C4' energy: -46.575
flat angles P-C4'-P energy: -41.488
tors. eta vs tors. theta energy: -64.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -722.521921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.521921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.521921 (E_RNA)
where:
Base-Base interactions energy: -508.039
where: short stacking energy: -228.141
Base-Backbone interact. energy: -0.304
local terms energy: -214.179036
where:
bonds (distance) C4'-P energy: -40.566
bonds (distance) P-C4' energy: -36.751
flat angles C4'-P-C4' energy: -50.170
flat angles P-C4'-P energy: -30.907
tors. eta vs tors. theta energy: -55.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -695.254094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.254094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.254094 (E_RNA)
where:
Base-Base interactions energy: -472.829
where: short stacking energy: -192.166
Base-Backbone interact. energy: 0.981
local terms energy: -223.405908
where:
bonds (distance) C4'-P energy: -46.955
bonds (distance) P-C4' energy: -39.818
flat angles C4'-P-C4' energy: -46.177
flat angles P-C4'-P energy: -41.488
tors. eta vs tors. theta energy: -48.968
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: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -562.895971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.895971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.895971 (E_RNA)
where:
Base-Base interactions energy: -361.135
where: short stacking energy: -159.300
Base-Backbone interact. energy: -0.670
local terms energy: -201.090130
where:
bonds (distance) C4'-P energy: -37.041
bonds (distance) P-C4' energy: -42.388
flat angles C4'-P-C4' energy: -52.449
flat angles P-C4'-P energy: -19.520
tors. eta vs tors. theta energy: -49.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -233.208590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.208590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.208590 (E_RNA)
where:
Base-Base interactions energy: -87.512
where: short stacking energy: -83.307
Base-Backbone interact. energy: 1.179
local terms energy: -146.875587
where:
bonds (distance) C4'-P energy: -46.885
bonds (distance) P-C4' energy: -44.331
flat angles C4'-P-C4' energy: -32.908
flat angles P-C4'-P energy: -20.976
tors. eta vs tors. theta energy: -1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -955.841211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.841211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.841211 (E_RNA)
where:
Base-Base interactions energy: -657.956
where: short stacking energy: -296.022
Base-Backbone interact. energy: -0.942
local terms energy: -296.943037
where:
bonds (distance) C4'-P energy: -47.886
bonds (distance) P-C4' energy: -51.066
flat angles C4'-P-C4' energy: -64.104
flat angles P-C4'-P energy: -44.559
tors. eta vs tors. theta energy: -89.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -932.171945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.171945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.171945 (E_RNA)
where:
Base-Base interactions energy: -649.512
where: short stacking energy: -277.895
Base-Backbone interact. energy: -1.720
local terms energy: -280.939999
where:
bonds (distance) C4'-P energy: -44.622
bonds (distance) P-C4' energy: -53.601
flat angles C4'-P-C4' energy: -58.720
flat angles P-C4'-P energy: -38.079
tors. eta vs tors. theta energy: -85.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -906.114836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.114836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.114836 (E_RNA)
where:
Base-Base interactions energy: -620.134
where: short stacking energy: -281.703
Base-Backbone interact. energy: -1.634
local terms energy: -284.346812
where:
bonds (distance) C4'-P energy: -58.469
bonds (distance) P-C4' energy: -44.246
flat angles C4'-P-C4' energy: -57.341
flat angles P-C4'-P energy: -40.951
tors. eta vs tors. theta energy: -83.339
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: 8
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -871.224757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.224757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.224757 (E_RNA)
where:
Base-Base interactions energy: -602.185
where: short stacking energy: -263.105
Base-Backbone interact. energy: -0.208
local terms energy: -268.831655
where:
bonds (distance) C4'-P energy: -48.625
bonds (distance) P-C4' energy: -54.854
flat angles C4'-P-C4' energy: -54.223
flat angles P-C4'-P energy: -31.641
tors. eta vs tors. theta energy: -79.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -809.770390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.770390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.770390 (E_RNA)
where:
Base-Base interactions energy: -550.320
where: short stacking energy: -262.378
Base-Backbone interact. energy: -0.497
local terms energy: -258.953435
where:
bonds (distance) C4'-P energy: -45.265
bonds (distance) P-C4' energy: -44.661
flat angles C4'-P-C4' energy: -54.092
flat angles P-C4'-P energy: -43.674
tors. eta vs tors. theta energy: -71.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -744.777817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.777817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.777817 (E_RNA)
where:
Base-Base interactions energy: -527.618
where: short stacking energy: -214.554
Base-Backbone interact. energy: -1.512
local terms energy: -215.648342
where:
bonds (distance) C4'-P energy: -41.802
bonds (distance) P-C4' energy: -34.181
flat angles C4'-P-C4' energy: -58.460
flat angles P-C4'-P energy: -31.964
tors. eta vs tors. theta energy: -49.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -732.893457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.893457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.893457 (E_RNA)
where:
Base-Base interactions energy: -492.101
where: short stacking energy: -211.018
Base-Backbone interact. energy: -1.501
local terms energy: -239.292094
where:
bonds (distance) C4'-P energy: -47.341
bonds (distance) P-C4' energy: -55.580
flat angles C4'-P-C4' energy: -51.812
flat angles P-C4'-P energy: -21.316
tors. eta vs tors. theta energy: -63.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -698.167006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.167006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.167006 (E_RNA)
where:
Base-Base interactions energy: -496.244
where: short stacking energy: -211.173
Base-Backbone interact. energy: -0.340
local terms energy: -201.583211
where:
bonds (distance) C4'-P energy: -36.148
bonds (distance) P-C4' energy: -45.710
flat angles C4'-P-C4' energy: -40.255
flat angles P-C4'-P energy: -19.282
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: 9, replica: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -563.026997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.026997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.026997 (E_RNA)
where:
Base-Base interactions energy: -351.332
where: short stacking energy: -167.762
Base-Backbone interact. energy: -1.300
local terms energy: -210.395335
where:
bonds (distance) C4'-P energy: -47.323
bonds (distance) P-C4' energy: -52.812
flat angles C4'-P-C4' energy: -40.903
flat angles P-C4'-P energy: -34.533
tors. eta vs tors. theta energy: -34.824
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: 484
Temperature: 1.350000
Total energy: -235.167346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.167346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.167346 (E_RNA)
where:
Base-Base interactions energy: -84.271
where: short stacking energy: -81.062
Base-Backbone interact. energy: 1.995
local terms energy: -152.890772
where:
bonds (distance) C4'-P energy: -34.925
bonds (distance) P-C4' energy: -46.117
flat angles C4'-P-C4' energy: -41.514
flat angles P-C4'-P energy: -22.680
tors. eta vs tors. theta energy: -7.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -963.412155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.412155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.412155 (E_RNA)
where:
Base-Base interactions energy: -666.998
where: short stacking energy: -291.722
Base-Backbone interact. energy: -0.727
local terms energy: -295.687624
where:
bonds (distance) C4'-P energy: -57.041
bonds (distance) P-C4' energy: -49.886
flat angles C4'-P-C4' energy: -60.101
flat angles P-C4'-P energy: -39.222
tors. eta vs tors. theta energy: -89.438
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: 9
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -940.962271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.962271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.962271 (E_RNA)
where:
Base-Base interactions energy: -655.115
where: short stacking energy: -270.720
Base-Backbone interact. energy: 0.174
local terms energy: -286.021546
where:
bonds (distance) C4'-P energy: -50.010
bonds (distance) P-C4' energy: -57.255
flat angles C4'-P-C4' energy: -56.442
flat angles P-C4'-P energy: -39.588
tors. eta vs tors. theta energy: -82.726
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: 3
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -923.118023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.118023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.118023 (E_RNA)
where:
Base-Base interactions energy: -621.619
where: short stacking energy: -275.566
Base-Backbone interact. energy: -2.274
local terms energy: -299.225560
where:
bonds (distance) C4'-P energy: -52.908
bonds (distance) P-C4' energy: -54.869
flat angles C4'-P-C4' energy: -64.011
flat angles P-C4'-P energy: -36.481
tors. eta vs tors. theta energy: -90.956
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: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -870.354500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.354500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.354500 (E_RNA)
where:
Base-Base interactions energy: -597.214
where: short stacking energy: -265.473
Base-Backbone interact. energy: -2.384
local terms energy: -270.756050
where:
bonds (distance) C4'-P energy: -46.032
bonds (distance) P-C4' energy: -53.669
flat angles C4'-P-C4' energy: -60.208
flat angles P-C4'-P energy: -34.850
tors. eta vs tors. theta energy: -75.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -815.627107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.627107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.627107 (E_RNA)
where:
Base-Base interactions energy: -570.108
where: short stacking energy: -255.086
Base-Backbone interact. energy: -0.181
local terms energy: -245.338321
where:
bonds (distance) C4'-P energy: -45.704
bonds (distance) P-C4' energy: -39.231
flat angles C4'-P-C4' energy: -45.485
flat angles P-C4'-P energy: -41.652
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: 6, replica: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -758.947706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.947706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.947706 (E_RNA)
where:
Base-Base interactions energy: -542.760
where: short stacking energy: -225.604
Base-Backbone interact. energy: 0.370
local terms energy: -216.556953
where:
bonds (distance) C4'-P energy: -37.761
bonds (distance) P-C4' energy: -40.011
flat angles C4'-P-C4' energy: -46.989
flat angles P-C4'-P energy: -26.145
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: 7, replica: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -730.293968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.293968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.293968 (E_RNA)
where:
Base-Base interactions energy: -501.696
where: short stacking energy: -229.550
Base-Backbone interact. energy: 2.567
local terms energy: -231.165158
where:
bonds (distance) C4'-P energy: -51.829
bonds (distance) P-C4' energy: -33.212
flat angles C4'-P-C4' energy: -58.515
flat angles P-C4'-P energy: -33.427
tors. eta vs tors. theta energy: -54.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -708.363456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.363456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.363456 (E_RNA)
where:
Base-Base interactions energy: -485.110
where: short stacking energy: -209.820
Base-Backbone interact. energy: 0.414
local terms energy: -223.667965
where:
bonds (distance) C4'-P energy: -40.484
bonds (distance) P-C4' energy: -48.034
flat angles C4'-P-C4' energy: -51.532
flat angles P-C4'-P energy: -31.253
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: 9, replica: 4
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -548.166704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.166704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.166704 (E_RNA)
where:
Base-Base interactions energy: -366.503
where: short stacking energy: -159.680
Base-Backbone interact. energy: -0.816
local terms energy: -180.847858
where:
bonds (distance) C4'-P energy: -34.238
bonds (distance) P-C4' energy: -44.759
flat angles C4'-P-C4' energy: -39.672
flat angles P-C4'-P energy: -27.902
tors. eta vs tors. theta energy: -34.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -215.503068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.503068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.503068 (E_RNA)
where:
Base-Base interactions energy: -60.932
where: short stacking energy: -57.565
Base-Backbone interact. energy: -0.196
local terms energy: -154.375115
where:
bonds (distance) C4'-P energy: -47.898
bonds (distance) P-C4' energy: -47.589
flat angles C4'-P-C4' energy: -39.665
flat angles P-C4'-P energy: -30.401
tors. eta vs tors. theta energy: 11.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -957.997416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.997416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.997416 (E_RNA)
where:
Base-Base interactions energy: -657.380
where: short stacking energy: -293.157
Base-Backbone interact. energy: -2.163
local terms energy: -298.454035
where:
bonds (distance) C4'-P energy: -54.237
bonds (distance) P-C4' energy: -52.707
flat angles C4'-P-C4' energy: -56.739
flat angles P-C4'-P energy: -44.275
tors. eta vs tors. theta energy: -90.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -937.286129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.286129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.286129 (E_RNA)
where:
Base-Base interactions energy: -649.501
where: short stacking energy: -277.277
Base-Backbone interact. energy: -1.631
local terms energy: -286.154513
where:
bonds (distance) C4'-P energy: -51.492
bonds (distance) P-C4' energy: -55.344
flat angles C4'-P-C4' energy: -62.510
flat angles P-C4'-P energy: -38.631
tors. eta vs tors. theta energy: -78.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -911.259496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.259496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.259496 (E_RNA)
where:
Base-Base interactions energy: -622.267
where: short stacking energy: -276.776
Base-Backbone interact. energy: -0.616
local terms energy: -288.376210
where:
bonds (distance) C4'-P energy: -45.868
bonds (distance) P-C4' energy: -54.285
flat angles C4'-P-C4' energy: -63.188
flat angles P-C4'-P energy: -35.513
tors. eta vs tors. theta energy: -89.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -846.833807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.833807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.833807 (E_RNA)
where:
Base-Base interactions energy: -586.363
where: short stacking energy: -242.270
Base-Backbone interact. energy: 0.157
local terms energy: -260.628087
where:
bonds (distance) C4'-P energy: -50.942
bonds (distance) P-C4' energy: -47.984
flat angles C4'-P-C4' energy: -53.400
flat angles P-C4'-P energy: -37.740
tors. eta vs tors. theta energy: -70.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -768.638246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.638246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.638246 (E_RNA)
where:
Base-Base interactions energy: -518.468
where: short stacking energy: -215.267
Base-Backbone interact. energy: -0.814
local terms energy: -249.356490
where:
bonds (distance) C4'-P energy: -44.801
bonds (distance) P-C4' energy: -51.796
flat angles C4'-P-C4' energy: -49.243
flat angles P-C4'-P energy: -36.685
tors. eta vs tors. theta energy: -66.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -803.920458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.920458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.920458 (E_RNA)
where:
Base-Base interactions energy: -550.882
where: short stacking energy: -232.256
Base-Backbone interact. energy: -0.564
local terms energy: -252.474276
where:
bonds (distance) C4'-P energy: -49.781
bonds (distance) P-C4' energy: -51.038
flat angles C4'-P-C4' energy: -56.345
flat angles P-C4'-P energy: -32.127
tors. eta vs tors. theta energy: -63.184
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: 486
Temperature: 1.200000
Total energy: -737.883678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.883678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.883678 (E_RNA)
where:
Base-Base interactions energy: -502.026
where: short stacking energy: -206.382
Base-Backbone interact. energy: 1.897
local terms energy: -237.754269
where:
bonds (distance) C4'-P energy: -46.354
bonds (distance) P-C4' energy: -51.281
flat angles C4'-P-C4' energy: -48.990
flat angles P-C4'-P energy: -37.840
tors. eta vs tors. theta energy: -53.290
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: 5
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -702.383226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.383226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.383226 (E_RNA)
where:
Base-Base interactions energy: -488.765
where: short stacking energy: -204.236
Base-Backbone interact. energy: -0.747
local terms energy: -212.872003
where:
bonds (distance) C4'-P energy: -40.069
bonds (distance) P-C4' energy: -29.691
flat angles C4'-P-C4' energy: -44.266
flat angles P-C4'-P energy: -36.709
tors. eta vs tors. theta energy: -62.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -543.823142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.823142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.823142 (E_RNA)
where:
Base-Base interactions energy: -326.043
where: short stacking energy: -146.746
Base-Backbone interact. energy: -0.773
local terms energy: -217.007041
where:
bonds (distance) C4'-P energy: -50.943
bonds (distance) P-C4' energy: -49.785
flat angles C4'-P-C4' energy: -46.583
flat angles P-C4'-P energy: -39.523
tors. eta vs tors. theta energy: -30.173
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: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -221.435804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.435804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.435804 (E_RNA)
where:
Base-Base interactions energy: -100.158
where: short stacking energy: -69.337
Base-Backbone interact. energy: -0.581
local terms energy: -120.696975
where:
bonds (distance) C4'-P energy: -37.766
bonds (distance) P-C4' energy: -45.030
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -25.085
tors. eta vs tors. theta energy: 4.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -956.110771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.110771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.110771 (E_RNA)
where:
Base-Base interactions energy: -653.240
where: short stacking energy: -296.602
Base-Backbone interact. energy: -1.683
local terms energy: -301.187839
where:
bonds (distance) C4'-P energy: -44.722
bonds (distance) P-C4' energy: -55.165
flat angles C4'-P-C4' energy: -67.339
flat angles P-C4'-P energy: -42.510
tors. eta vs tors. theta energy: -91.452
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: 3
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -943.169900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.169900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.169900 (E_RNA)
where:
Base-Base interactions energy: -647.516
where: short stacking energy: -278.356
Base-Backbone interact. energy: -1.239
local terms energy: -294.415251
where:
bonds (distance) C4'-P energy: -52.578
bonds (distance) P-C4' energy: -53.264
flat angles C4'-P-C4' energy: -55.642
flat angles P-C4'-P energy: -41.159
tors. eta vs tors. theta energy: -91.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -910.966423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.966423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.966423 (E_RNA)
where:
Base-Base interactions energy: -626.094
where: short stacking energy: -273.894
Base-Backbone interact. energy: -0.054
local terms energy: -284.818738
where:
bonds (distance) C4'-P energy: -51.628
bonds (distance) P-C4' energy: -52.926
flat angles C4'-P-C4' energy: -54.594
flat angles P-C4'-P energy: -40.403
tors. eta vs tors. theta energy: -85.267
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: 4, replica: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -832.867601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.867601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.867601 (E_RNA)
where:
Base-Base interactions energy: -579.674
where: short stacking energy: -245.698
Base-Backbone interact. energy: -1.402
local terms energy: -251.791854
where:
bonds (distance) C4'-P energy: -52.039
bonds (distance) P-C4' energy: -48.072
flat angles C4'-P-C4' energy: -54.206
flat angles P-C4'-P energy: -32.844
tors. eta vs tors. theta energy: -64.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -793.640311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.640311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.640311 (E_RNA)
where:
Base-Base interactions energy: -540.903
where: short stacking energy: -223.767
Base-Backbone interact. energy: -0.666
local terms energy: -252.071704
where:
bonds (distance) C4'-P energy: -47.469
bonds (distance) P-C4' energy: -56.373
flat angles C4'-P-C4' energy: -53.856
flat angles P-C4'-P energy: -32.288
tors. eta vs tors. theta energy: -62.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -776.617083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.617083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.617083 (E_RNA)
where:
Base-Base interactions energy: -523.316
where: short stacking energy: -238.528
Base-Backbone interact. energy: 0.524
local terms energy: -253.825196
where:
bonds (distance) C4'-P energy: -38.253
bonds (distance) P-C4' energy: -51.655
flat angles C4'-P-C4' energy: -57.422
flat angles P-C4'-P energy: -30.027
tors. eta vs tors. theta energy: -76.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -737.615095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.615095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.615095 (E_RNA)
where:
Base-Base interactions energy: -513.265
where: short stacking energy: -209.991
Base-Backbone interact. energy: 0.811
local terms energy: -225.161340
where:
bonds (distance) C4'-P energy: -43.481
bonds (distance) P-C4' energy: -42.442
flat angles C4'-P-C4' energy: -50.381
flat angles P-C4'-P energy: -31.334
tors. eta vs tors. theta energy: -57.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -680.352623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.352623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.352623 (E_RNA)
where:
Base-Base interactions energy: -466.389
where: short stacking energy: -181.905
Base-Backbone interact. energy: -0.721
local terms energy: -213.242571
where:
bonds (distance) C4'-P energy: -38.734
bonds (distance) P-C4' energy: -51.709
flat angles C4'-P-C4' energy: -42.234
flat angles P-C4'-P energy: -33.467
tors. eta vs tors. theta energy: -47.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -513.618849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.618849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.618849 (E_RNA)
where:
Base-Base interactions energy: -295.888
where: short stacking energy: -146.027
Base-Backbone interact. energy: -0.256
local terms energy: -217.475153
where:
bonds (distance) C4'-P energy: -47.041
bonds (distance) P-C4' energy: -49.195
flat angles C4'-P-C4' energy: -56.472
flat angles P-C4'-P energy: -27.071
tors. eta vs tors. theta energy: -37.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -220.703525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.703525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.703525 (E_RNA)
where:
Base-Base interactions energy: -66.709
where: short stacking energy: -60.086
Base-Backbone interact. energy: 5.625
local terms energy: -159.619906
where:
bonds (distance) C4'-P energy: -43.142
bonds (distance) P-C4' energy: -46.329
flat angles C4'-P-C4' energy: -49.186
flat angles P-C4'-P energy: -28.322
tors. eta vs tors. theta energy: 7.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -955.160467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.160467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.160467 (E_RNA)
where:
Base-Base interactions energy: -659.979
where: short stacking energy: -291.210
Base-Backbone interact. energy: -2.447
local terms energy: -292.735206
where:
bonds (distance) C4'-P energy: -57.790
bonds (distance) P-C4' energy: -53.857
flat angles C4'-P-C4' energy: -56.240
flat angles P-C4'-P energy: -39.562
tors. eta vs tors. theta energy: -85.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -940.101811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.101811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.101811 (E_RNA)
where:
Base-Base interactions energy: -650.121
where: short stacking energy: -280.772
Base-Backbone interact. energy: -2.031
local terms energy: -287.949669
where:
bonds (distance) C4'-P energy: -45.181
bonds (distance) P-C4' energy: -48.850
flat angles C4'-P-C4' energy: -64.344
flat angles P-C4'-P energy: -46.592
tors. eta vs tors. theta energy: -82.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -934.126907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.126907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.126907 (E_RNA)
where:
Base-Base interactions energy: -654.298
where: short stacking energy: -290.087
Base-Backbone interact. energy: -0.984
local terms energy: -278.845009
where:
bonds (distance) C4'-P energy: -51.237
bonds (distance) P-C4' energy: -44.933
flat angles C4'-P-C4' energy: -56.294
flat angles P-C4'-P energy: -36.127
tors. eta vs tors. theta energy: -90.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -833.892218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.892218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.892218 (E_RNA)
where:
Base-Base interactions energy: -569.883
where: short stacking energy: -245.791
Base-Backbone interact. energy: 0.053
local terms energy: -264.062075
where:
bonds (distance) C4'-P energy: -49.795
bonds (distance) P-C4' energy: -47.297
flat angles C4'-P-C4' energy: -57.492
flat angles P-C4'-P energy: -38.519
tors. eta vs tors. theta energy: -70.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -795.430894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.430894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.430894 (E_RNA)
where:
Base-Base interactions energy: -547.828
where: short stacking energy: -239.086
Base-Backbone interact. energy: 4.344
local terms energy: -251.946636
where:
bonds (distance) C4'-P energy: -43.256
bonds (distance) P-C4' energy: -47.245
flat angles C4'-P-C4' energy: -53.528
flat angles P-C4'-P energy: -40.594
tors. eta vs tors. theta energy: -67.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -738.207259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.207259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.207259 (E_RNA)
where:
Base-Base interactions energy: -496.964
where: short stacking energy: -213.081
Base-Backbone interact. energy: 1.878
local terms energy: -243.121359
where:
bonds (distance) C4'-P energy: -49.527
bonds (distance) P-C4' energy: -52.089
flat angles C4'-P-C4' energy: -46.451
flat angles P-C4'-P energy: -38.254
tors. eta vs tors. theta energy: -56.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -738.532327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.532327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.532327 (E_RNA)
where:
Base-Base interactions energy: -516.702
where: short stacking energy: -205.886
Base-Backbone interact. energy: 1.278
local terms energy: -223.108902
where:
bonds (distance) C4'-P energy: -38.074
bonds (distance) P-C4' energy: -33.695
flat angles C4'-P-C4' energy: -61.544
flat angles P-C4'-P energy: -35.842
tors. eta vs tors. theta energy: -53.955
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: 5
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -675.451508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.451508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.451508 (E_RNA)
where:
Base-Base interactions energy: -470.879
where: short stacking energy: -177.587
Base-Backbone interact. energy: -0.783
local terms energy: -203.789133
where:
bonds (distance) C4'-P energy: -40.882
bonds (distance) P-C4' energy: -47.151
flat angles C4'-P-C4' energy: -49.193
flat angles P-C4'-P energy: -19.221
tors. eta vs tors. theta energy: -47.342
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: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -519.229752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.229752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.229752 (E_RNA)
where:
Base-Base interactions energy: -330.939
where: short stacking energy: -151.400
Base-Backbone interact. energy: 0.140
local terms energy: -188.430772
where:
bonds (distance) C4'-P energy: -38.568
bonds (distance) P-C4' energy: -47.808
flat angles C4'-P-C4' energy: -43.936
flat angles P-C4'-P energy: -27.821
tors. eta vs tors. theta energy: -30.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -236.607426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.607426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.607426 (E_RNA)
where:
Base-Base interactions energy: -84.317
where: short stacking energy: -62.539
Base-Backbone interact. energy: 0.547
local terms energy: -152.837910
where:
bonds (distance) C4'-P energy: -56.064
bonds (distance) P-C4' energy: -44.451
flat angles C4'-P-C4' energy: -41.613
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: 2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -960.995317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.995317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.995317 (E_RNA)
where:
Base-Base interactions energy: -652.764
where: short stacking energy: -286.168
Base-Backbone interact. energy: -2.064
local terms energy: -306.167684
where:
bonds (distance) C4'-P energy: -57.266
bonds (distance) P-C4' energy: -54.069
flat angles C4'-P-C4' energy: -62.211
flat angles P-C4'-P energy: -47.628
tors. eta vs tors. theta energy: -84.993
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: 9
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -939.329931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.329931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.329931 (E_RNA)
where:
Base-Base interactions energy: -637.971
where: short stacking energy: -264.307
Base-Backbone interact. energy: -1.060
local terms energy: -300.299339
where:
bonds (distance) C4'-P energy: -50.197
bonds (distance) P-C4' energy: -57.223
flat angles C4'-P-C4' energy: -59.421
flat angles P-C4'-P energy: -46.051
tors. eta vs tors. theta energy: -87.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -950.666303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.666303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.666303 (E_RNA)
where:
Base-Base interactions energy: -654.885
where: short stacking energy: -296.457
Base-Backbone interact. energy: -0.073
local terms energy: -295.708398
where:
bonds (distance) C4'-P energy: -45.082
bonds (distance) P-C4' energy: -57.284
flat angles C4'-P-C4' energy: -64.540
flat angles P-C4'-P energy: -37.681
tors. eta vs tors. theta energy: -91.121
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: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -865.631975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.631975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.631975 (E_RNA)
where:
Base-Base interactions energy: -587.193
where: short stacking energy: -234.094
Base-Backbone interact. energy: -0.800
local terms energy: -277.639136
where:
bonds (distance) C4'-P energy: -46.855
bonds (distance) P-C4' energy: -58.710
flat angles C4'-P-C4' energy: -57.659
flat angles P-C4'-P energy: -43.616
tors. eta vs tors. theta energy: -70.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -794.952729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.952729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.952729 (E_RNA)
where:
Base-Base interactions energy: -528.851
where: short stacking energy: -228.671
Base-Backbone interact. energy: -0.809
local terms energy: -265.293538
where:
bonds (distance) C4'-P energy: -51.495
bonds (distance) P-C4' energy: -56.042
flat angles C4'-P-C4' energy: -52.225
flat angles P-C4'-P energy: -38.656
tors. eta vs tors. theta energy: -66.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -733.648584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.648584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.648584 (E_RNA)
where:
Base-Base interactions energy: -485.894
where: short stacking energy: -191.646
Base-Backbone interact. energy: 1.524
local terms energy: -249.278915
where:
bonds (distance) C4'-P energy: -47.640
bonds (distance) P-C4' energy: -57.987
flat angles C4'-P-C4' energy: -49.753
flat angles P-C4'-P energy: -37.645
tors. eta vs tors. theta energy: -56.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -745.144881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.144881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.144881 (E_RNA)
where:
Base-Base interactions energy: -495.575
where: short stacking energy: -213.106
Base-Backbone interact. energy: -0.747
local terms energy: -248.822788
where:
bonds (distance) C4'-P energy: -49.812
bonds (distance) P-C4' energy: -42.627
flat angles C4'-P-C4' energy: -57.079
flat angles P-C4'-P energy: -38.034
tors. eta vs tors. theta energy: -61.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -674.992366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.992366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.992366 (E_RNA)
where:
Base-Base interactions energy: -483.291
where: short stacking energy: -191.603
Base-Backbone interact. energy: -0.449
local terms energy: -191.251887
where:
bonds (distance) C4'-P energy: -33.927
bonds (distance) P-C4' energy: -42.429
flat angles C4'-P-C4' energy: -36.022
flat angles P-C4'-P energy: -30.480
tors. eta vs tors. theta energy: -48.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -481.746302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.746302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.746302 (E_RNA)
where:
Base-Base interactions energy: -305.346
where: short stacking energy: -150.160
Base-Backbone interact. energy: -1.637
local terms energy: -174.763325
where:
bonds (distance) C4'-P energy: -31.878
bonds (distance) P-C4' energy: -37.824
flat angles C4'-P-C4' energy: -47.141
flat angles P-C4'-P energy: -33.334
tors. eta vs tors. theta energy: -24.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -231.942669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.942669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.942669 (E_RNA)
where:
Base-Base interactions energy: -80.523
where: short stacking energy: -51.936
Base-Backbone interact. energy: 1.840
local terms energy: -153.259430
where:
bonds (distance) C4'-P energy: -44.137
bonds (distance) P-C4' energy: -49.173
flat angles C4'-P-C4' energy: -40.323
flat angles P-C4'-P energy: -27.938
tors. eta vs tors. theta energy: 8.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -955.206826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.206826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.206826 (E_RNA)
where:
Base-Base interactions energy: -654.981
where: short stacking energy: -273.935
Base-Backbone interact. energy: -0.779
local terms energy: -299.446052
where:
bonds (distance) C4'-P energy: -51.028
bonds (distance) P-C4' energy: -51.890
flat angles C4'-P-C4' energy: -58.774
flat angles P-C4'-P energy: -46.307
tors. eta vs tors. theta energy: -91.447
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: 490
Temperature: 0.950000
Total energy: -944.396009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.396009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.396009 (E_RNA)
where:
Base-Base interactions energy: -641.945
where: short stacking energy: -281.683
Base-Backbone interact. energy: -0.451
local terms energy: -301.999931
where:
bonds (distance) C4'-P energy: -60.636
bonds (distance) P-C4' energy: -54.582
flat angles C4'-P-C4' energy: -50.838
flat angles P-C4'-P energy: -44.477
tors. eta vs tors. theta energy: -91.467
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: 3
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -910.125564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.125564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.125564 (E_RNA)
where:
Base-Base interactions energy: -616.536
where: short stacking energy: -264.997
Base-Backbone interact. energy: -0.474
local terms energy: -293.115287
where:
bonds (distance) C4'-P energy: -54.600
bonds (distance) P-C4' energy: -50.471
flat angles C4'-P-C4' energy: -61.944
flat angles P-C4'-P energy: -41.343
tors. eta vs tors. theta energy: -84.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -834.405904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.405904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.405904 (E_RNA)
where:
Base-Base interactions energy: -585.585
where: short stacking energy: -235.050
Base-Backbone interact. energy: 2.094
local terms energy: -250.915120
where:
bonds (distance) C4'-P energy: -49.638
bonds (distance) P-C4' energy: -47.076
flat angles C4'-P-C4' energy: -56.632
flat angles P-C4'-P energy: -28.729
tors. eta vs tors. theta energy: -68.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -815.941073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.941073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.941073 (E_RNA)
where:
Base-Base interactions energy: -554.328
where: short stacking energy: -256.080
Base-Backbone interact. energy: -0.117
local terms energy: -261.496805
where:
bonds (distance) C4'-P energy: -48.004
bonds (distance) P-C4' energy: -43.984
flat angles C4'-P-C4' energy: -55.693
flat angles P-C4'-P energy: -37.118
tors. eta vs tors. theta energy: -76.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -763.808993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.808993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.808993 (E_RNA)
where:
Base-Base interactions energy: -524.728
where: short stacking energy: -231.239
Base-Backbone interact. energy: -1.075
local terms energy: -238.005885
where:
bonds (distance) C4'-P energy: -42.414
bonds (distance) P-C4' energy: -46.673
flat angles C4'-P-C4' energy: -54.065
flat angles P-C4'-P energy: -29.378
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: 7, replica: 7
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -769.344166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.344166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.344166 (E_RNA)
where:
Base-Base interactions energy: -522.625
where: short stacking energy: -216.339
Base-Backbone interact. energy: 0.736
local terms energy: -247.454840
where:
bonds (distance) C4'-P energy: -44.225
bonds (distance) P-C4' energy: -57.069
flat angles C4'-P-C4' energy: -50.169
flat angles P-C4'-P energy: -34.313
tors. eta vs tors. theta energy: -61.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -700.121688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.121688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.121688 (E_RNA)
where:
Base-Base interactions energy: -488.745
where: short stacking energy: -189.781
Base-Backbone interact. energy: 1.260
local terms energy: -212.636689
where:
bonds (distance) C4'-P energy: -45.977
bonds (distance) P-C4' energy: -52.681
flat angles C4'-P-C4' energy: -42.628
flat angles P-C4'-P energy: -28.481
tors. eta vs tors. theta energy: -42.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -441.836453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.836453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.836453 (E_RNA)
where:
Base-Base interactions energy: -273.017
where: short stacking energy: -134.880
Base-Backbone interact. energy: -0.927
local terms energy: -167.892322
where:
bonds (distance) C4'-P energy: -50.278
bonds (distance) P-C4' energy: -45.633
flat angles C4'-P-C4' energy: -31.701
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -25.864
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: 490
Temperature: 1.350000
Total energy: -224.071764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.071764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.071764 (E_RNA)
where:
Base-Base interactions energy: -69.272
where: short stacking energy: -64.506
Base-Backbone interact. energy: 0.817
local terms energy: -155.617010
where:
bonds (distance) C4'-P energy: -49.858
bonds (distance) P-C4' energy: -42.649
flat angles C4'-P-C4' energy: -44.195
flat angles P-C4'-P energy: -21.682
tors. eta vs tors. theta energy: 2.766
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: 9
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -965.868291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.868291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.868291 (E_RNA)
where:
Base-Base interactions energy: -676.588
where: short stacking energy: -293.446
Base-Backbone interact. energy: -0.503
local terms energy: -288.777172
where:
bonds (distance) C4'-P energy: -52.502
bonds (distance) P-C4' energy: -48.598
flat angles C4'-P-C4' energy: -60.735
flat angles P-C4'-P energy: -39.973
tors. eta vs tors. theta energy: -86.969
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: 1
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -929.233266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.233266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.233266 (E_RNA)
where:
Base-Base interactions energy: -637.431
where: short stacking energy: -280.686
Base-Backbone interact. energy: -0.889
local terms energy: -290.913699
where:
bonds (distance) C4'-P energy: -48.775
bonds (distance) P-C4' energy: -48.866
flat angles C4'-P-C4' energy: -63.096
flat angles P-C4'-P energy: -39.674
tors. eta vs tors. theta energy: -90.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -921.775226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.775226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.775226 (E_RNA)
where:
Base-Base interactions energy: -630.675
where: short stacking energy: -270.707
Base-Backbone interact. energy: 1.626
local terms energy: -292.725750
where:
bonds (distance) C4'-P energy: -44.888
bonds (distance) P-C4' energy: -56.419
flat angles C4'-P-C4' energy: -67.404
flat angles P-C4'-P energy: -43.260
tors. eta vs tors. theta energy: -80.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -851.252820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.252820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.252820 (E_RNA)
where:
Base-Base interactions energy: -586.084
where: short stacking energy: -241.602
Base-Backbone interact. energy: -1.379
local terms energy: -263.789409
where:
bonds (distance) C4'-P energy: -47.587
bonds (distance) P-C4' energy: -46.054
flat angles C4'-P-C4' energy: -56.744
flat angles P-C4'-P energy: -35.935
tors. eta vs tors. theta energy: -77.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -829.322378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.322378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.322378 (E_RNA)
where:
Base-Base interactions energy: -575.502
where: short stacking energy: -259.444
Base-Backbone interact. energy: -0.776
local terms energy: -253.044699
where:
bonds (distance) C4'-P energy: -43.520
bonds (distance) P-C4' energy: -43.548
flat angles C4'-P-C4' energy: -52.298
flat angles P-C4'-P energy: -40.487
tors. eta vs tors. theta energy: -73.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -758.416086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.416086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.416086 (E_RNA)
where:
Base-Base interactions energy: -505.416
where: short stacking energy: -227.157
Base-Backbone interact. energy: -0.583
local terms energy: -252.416635
where:
bonds (distance) C4'-P energy: -39.385
bonds (distance) P-C4' energy: -51.726
flat angles C4'-P-C4' energy: -58.564
flat angles P-C4'-P energy: -36.736
tors. eta vs tors. theta energy: -66.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -747.722290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.722290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.722290 (E_RNA)
where:
Base-Base interactions energy: -507.834
where: short stacking energy: -218.714
Base-Backbone interact. energy: 0.267
local terms energy: -240.154898
where:
bonds (distance) C4'-P energy: -50.616
bonds (distance) P-C4' energy: -47.762
flat angles C4'-P-C4' energy: -44.090
flat angles P-C4'-P energy: -29.884
tors. eta vs tors. theta energy: -67.804
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: 5
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -667.174688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.174688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.174688 (E_RNA)
where:
Base-Base interactions energy: -451.582
where: short stacking energy: -185.212
Base-Backbone interact. energy: -0.595
local terms energy: -214.997602
where:
bonds (distance) C4'-P energy: -41.355
bonds (distance) P-C4' energy: -42.813
flat angles C4'-P-C4' energy: -46.030
flat angles P-C4'-P energy: -33.348
tors. eta vs tors. theta energy: -51.452
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: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -440.288693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.288693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.288693 (E_RNA)
where:
Base-Base interactions energy: -261.342
where: short stacking energy: -130.359
Base-Backbone interact. energy: 0.523
local terms energy: -179.469857
where:
bonds (distance) C4'-P energy: -45.783
bonds (distance) P-C4' energy: -47.316
flat angles C4'-P-C4' energy: -36.803
flat angles P-C4'-P energy: -22.504
tors. eta vs tors. theta energy: -27.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -227.522995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.522995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.522995 (E_RNA)
where:
Base-Base interactions energy: -83.828
where: short stacking energy: -78.369
Base-Backbone interact. energy: 2.600
local terms energy: -146.295318
where:
bonds (distance) C4'-P energy: -40.698
bonds (distance) P-C4' energy: -45.133
flat angles C4'-P-C4' energy: -35.898
flat angles P-C4'-P energy: -27.680
tors. eta vs tors. theta energy: 3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -967.983643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.983643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.983643 (E_RNA)
where:
Base-Base interactions energy: -672.730
where: short stacking energy: -289.945
Base-Backbone interact. energy: 0.833
local terms energy: -296.086490
where:
bonds (distance) C4'-P energy: -55.419
bonds (distance) P-C4' energy: -51.778
flat angles C4'-P-C4' energy: -58.757
flat angles P-C4'-P energy: -42.467
tors. eta vs tors. theta energy: -87.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -932.181531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.181531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.181531 (E_RNA)
where:
Base-Base interactions energy: -639.478
where: short stacking energy: -272.306
Base-Backbone interact. energy: 1.306
local terms energy: -294.009523
where:
bonds (distance) C4'-P energy: -49.507
bonds (distance) P-C4' energy: -56.544
flat angles C4'-P-C4' energy: -59.324
flat angles P-C4'-P energy: -43.084
tors. eta vs tors. theta energy: -85.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -916.897400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.897400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.897400 (E_RNA)
where:
Base-Base interactions energy: -637.448
where: short stacking energy: -286.969
Base-Backbone interact. energy: -0.425
local terms energy: -279.023864
where:
bonds (distance) C4'-P energy: -43.739
bonds (distance) P-C4' energy: -47.204
flat angles C4'-P-C4' energy: -60.636
flat angles P-C4'-P energy: -39.345
tors. eta vs tors. theta energy: -88.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -855.185850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.185850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.185850 (E_RNA)
where:
Base-Base interactions energy: -614.023
where: short stacking energy: -259.836
Base-Backbone interact. energy: -0.248
local terms energy: -240.915232
where:
bonds (distance) C4'-P energy: -43.587
bonds (distance) P-C4' energy: -47.471
flat angles C4'-P-C4' energy: -50.206
flat angles P-C4'-P energy: -28.439
tors. eta vs tors. theta energy: -71.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -777.651052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.651052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.651052 (E_RNA)
where:
Base-Base interactions energy: -533.849
where: short stacking energy: -226.504
Base-Backbone interact. energy: -1.786
local terms energy: -242.016017
where:
bonds (distance) C4'-P energy: -46.534
bonds (distance) P-C4' energy: -58.408
flat angles C4'-P-C4' energy: -52.239
flat angles P-C4'-P energy: -19.751
tors. eta vs tors. theta energy: -65.084
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: 6, replica: 2
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -782.825358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.825358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.825358 (E_RNA)
where:
Base-Base interactions energy: -526.750
where: short stacking energy: -245.475
Base-Backbone interact. energy: 2.957
local terms energy: -259.032023
where:
bonds (distance) C4'-P energy: -46.989
bonds (distance) P-C4' energy: -52.244
flat angles C4'-P-C4' energy: -46.540
flat angles P-C4'-P energy: -35.744
tors. eta vs tors. theta energy: -77.515
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: 7, replica: 5
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -709.660039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.660039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.660039 (E_RNA)
where:
Base-Base interactions energy: -489.200
where: short stacking energy: -200.105
Base-Backbone interact. energy: -0.964
local terms energy: -219.495520
where:
bonds (distance) C4'-P energy: -39.757
bonds (distance) P-C4' energy: -46.681
flat angles C4'-P-C4' energy: -44.595
flat angles P-C4'-P energy: -33.692
tors. eta vs tors. theta energy: -54.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -714.520325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.520325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.520325 (E_RNA)
where:
Base-Base interactions energy: -501.019
where: short stacking energy: -200.540
Base-Backbone interact. energy: 2.697
local terms energy: -216.197764
where:
bonds (distance) C4'-P energy: -32.329
bonds (distance) P-C4' energy: -45.282
flat angles C4'-P-C4' energy: -51.505
flat angles P-C4'-P energy: -26.827
tors. eta vs tors. theta energy: -60.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -488.811311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.811311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.811311 (E_RNA)
where:
Base-Base interactions energy: -291.202
where: short stacking energy: -142.218
Base-Backbone interact. energy: -1.204
local terms energy: -196.405941
where:
bonds (distance) C4'-P energy: -40.512
bonds (distance) P-C4' energy: -49.530
flat angles C4'-P-C4' energy: -49.511
flat angles P-C4'-P energy: -26.007
tors. eta vs tors. theta energy: -30.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -225.904275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.904275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.904275 (E_RNA)
where:
Base-Base interactions energy: -80.355
where: short stacking energy: -50.118
Base-Backbone interact. energy: -1.062
local terms energy: -144.487615
where:
bonds (distance) C4'-P energy: -43.514
bonds (distance) P-C4' energy: -36.871
flat angles C4'-P-C4' energy: -38.927
flat angles P-C4'-P energy: -22.064
tors. eta vs tors. theta energy: -3.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -959.941974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.941974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.941974 (E_RNA)
where:
Base-Base interactions energy: -653.405
where: short stacking energy: -287.052
Base-Backbone interact. energy: -0.371
local terms energy: -306.166589
where:
bonds (distance) C4'-P energy: -52.888
bonds (distance) P-C4' energy: -58.381
flat angles C4'-P-C4' energy: -61.656
flat angles P-C4'-P energy: -44.383
tors. eta vs tors. theta energy: -88.858
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: 493
Temperature: 0.950000
Total energy: -925.755400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.755400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.755400 (E_RNA)
where:
Base-Base interactions energy: -643.252
where: short stacking energy: -280.862
Base-Backbone interact. energy: -0.698
local terms energy: -281.805233
where:
bonds (distance) C4'-P energy: -46.449
bonds (distance) P-C4' energy: -44.327
flat angles C4'-P-C4' energy: -60.511
flat angles P-C4'-P energy: -39.479
tors. eta vs tors. theta energy: -91.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -905.770271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.770271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.770271 (E_RNA)
where:
Base-Base interactions energy: -623.121
where: short stacking energy: -278.114
Base-Backbone interact. energy: -0.437
local terms energy: -282.211992
where:
bonds (distance) C4'-P energy: -51.189
bonds (distance) P-C4' energy: -61.014
flat angles C4'-P-C4' energy: -48.766
flat angles P-C4'-P energy: -40.517
tors. eta vs tors. theta energy: -80.726
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: 8
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -852.944413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.944413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.944413 (E_RNA)
where:
Base-Base interactions energy: -581.342
where: short stacking energy: -254.765
Base-Backbone interact. energy: -1.001
local terms energy: -270.601993
where:
bonds (distance) C4'-P energy: -48.101
bonds (distance) P-C4' energy: -52.202
flat angles C4'-P-C4' energy: -53.955
flat angles P-C4'-P energy: -44.956
tors. eta vs tors. theta energy: -71.387
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: 7
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -791.351002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.351002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.351002 (E_RNA)
where:
Base-Base interactions energy: -545.274
where: short stacking energy: -231.218
Base-Backbone interact. energy: -0.534
local terms energy: -245.543586
where:
bonds (distance) C4'-P energy: -43.881
bonds (distance) P-C4' energy: -48.736
flat angles C4'-P-C4' energy: -47.128
flat angles P-C4'-P energy: -38.092
tors. eta vs tors. theta energy: -67.706
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: 2
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -812.257627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.257627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.257627 (E_RNA)
where:
Base-Base interactions energy: -555.233
where: short stacking energy: -242.221
Base-Backbone interact. energy: -0.313
local terms energy: -256.711930
where:
bonds (distance) C4'-P energy: -44.378
bonds (distance) P-C4' energy: -42.821
flat angles C4'-P-C4' energy: -58.542
flat angles P-C4'-P energy: -39.897
tors. eta vs tors. theta energy: -71.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -734.599653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.599653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.599653 (E_RNA)
where:
Base-Base interactions energy: -511.315
where: short stacking energy: -214.918
Base-Backbone interact. energy: -0.457
local terms energy: -222.828163
where:
bonds (distance) C4'-P energy: -42.288
bonds (distance) P-C4' energy: -38.850
flat angles C4'-P-C4' energy: -63.074
flat angles P-C4'-P energy: -29.851
tors. eta vs tors. theta energy: -48.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -708.061682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.061682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.061682 (E_RNA)
where:
Base-Base interactions energy: -490.497
where: short stacking energy: -216.975
Base-Backbone interact. energy: -0.931
local terms energy: -216.633450
where:
bonds (distance) C4'-P energy: -46.362
bonds (distance) P-C4' energy: -41.083
flat angles C4'-P-C4' energy: -42.708
flat angles P-C4'-P energy: -31.741
tors. eta vs tors. theta energy: -54.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -446.704138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.704138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.704138 (E_RNA)
where:
Base-Base interactions energy: -284.768
where: short stacking energy: -119.922
Base-Backbone interact. energy: 0.865
local terms energy: -162.801661
where:
bonds (distance) C4'-P energy: -38.164
bonds (distance) P-C4' energy: -51.169
flat angles C4'-P-C4' energy: -32.673
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: -21.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -251.846949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.846949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.846949 (E_RNA)
where:
Base-Base interactions energy: -101.925
where: short stacking energy: -66.429
Base-Backbone interact. energy: -1.498
local terms energy: -148.424224
where:
bonds (distance) C4'-P energy: -44.872
bonds (distance) P-C4' energy: -45.516
flat angles C4'-P-C4' energy: -37.742
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: 4.304
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: 1, replica: 1
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -947.575231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.575231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.575231 (E_RNA)
where:
Base-Base interactions energy: -656.656
where: short stacking energy: -276.446
Base-Backbone interact. energy: 0.124
local terms energy: -291.042942
where:
bonds (distance) C4'-P energy: -44.067
bonds (distance) P-C4' energy: -51.624
flat angles C4'-P-C4' energy: -61.828
flat angles P-C4'-P energy: -46.945
tors. eta vs tors. theta energy: -86.579
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: 2, replica: 9
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -944.994546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.994546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.994546 (E_RNA)
where:
Base-Base interactions energy: -658.059
where: short stacking energy: -277.817
Base-Backbone interact. energy: -1.099
local terms energy: -285.837364
where:
bonds (distance) C4'-P energy: -44.624
bonds (distance) P-C4' energy: -54.917
flat angles C4'-P-C4' energy: -54.677
flat angles P-C4'-P energy: -42.167
tors. eta vs tors. theta energy: -89.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -924.719265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.719265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.719265 (E_RNA)
where:
Base-Base interactions energy: -636.413
where: short stacking energy: -278.674
Base-Backbone interact. energy: -0.735
local terms energy: -287.571486
where:
bonds (distance) C4'-P energy: -53.448
bonds (distance) P-C4' energy: -53.141
flat angles C4'-P-C4' energy: -56.184
flat angles P-C4'-P energy: -44.807
tors. eta vs tors. theta energy: -79.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -856.327308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.327308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.327308 (E_RNA)
where:
Base-Base interactions energy: -614.295
where: short stacking energy: -250.642
Base-Backbone interact. energy: -1.555
local terms energy: -240.476955
where:
bonds (distance) C4'-P energy: -46.166
bonds (distance) P-C4' energy: -36.251
flat angles C4'-P-C4' energy: -57.517
flat angles P-C4'-P energy: -29.298
tors. eta vs tors. theta energy: -71.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -847.673601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.673601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.673601 (E_RNA)
where:
Base-Base interactions energy: -572.614
where: short stacking energy: -259.872
Base-Backbone interact. energy: -1.132
local terms energy: -273.927956
where:
bonds (distance) C4'-P energy: -51.482
bonds (distance) P-C4' energy: -54.224
flat angles C4'-P-C4' energy: -55.024
flat angles P-C4'-P energy: -37.671
tors. eta vs tors. theta energy: -75.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -759.008324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.008324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.008324 (E_RNA)
where:
Base-Base interactions energy: -510.301
where: short stacking energy: -215.366
Base-Backbone interact. energy: 0.841
local terms energy: -249.548449
where:
bonds (distance) C4'-P energy: -47.144
bonds (distance) P-C4' energy: -43.804
flat angles C4'-P-C4' energy: -56.268
flat angles P-C4'-P energy: -36.689
tors. eta vs tors. theta energy: -65.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -765.802362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.802362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.802362 (E_RNA)
where:
Base-Base interactions energy: -543.547
where: short stacking energy: -233.372
Base-Backbone interact. energy: 2.442
local terms energy: -224.697499
where:
bonds (distance) C4'-P energy: -41.562
bonds (distance) P-C4' energy: -34.275
flat angles C4'-P-C4' energy: -55.459
flat angles P-C4'-P energy: -30.431
tors. eta vs tors. theta energy: -62.970
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: 6
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -715.488199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.488199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.488199 (E_RNA)
where:
Base-Base interactions energy: -490.282
where: short stacking energy: -205.044
Base-Backbone interact. energy: -0.659
local terms energy: -224.547431
where:
bonds (distance) C4'-P energy: -40.968
bonds (distance) P-C4' energy: -50.275
flat angles C4'-P-C4' energy: -50.536
flat angles P-C4'-P energy: -31.455
tors. eta vs tors. theta energy: -51.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -404.646136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.646136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.646136 (E_RNA)
where:
Base-Base interactions energy: -243.933
where: short stacking energy: -118.670
Base-Backbone interact. energy: 0.285
local terms energy: -160.998072
where:
bonds (distance) C4'-P energy: -45.348
bonds (distance) P-C4' energy: -41.349
flat angles C4'-P-C4' energy: -40.254
flat angles P-C4'-P energy: -21.599
tors. eta vs tors. theta energy: -12.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -231.707134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.707134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.707134 (E_RNA)
where:
Base-Base interactions energy: -78.137
where: short stacking energy: -67.405
Base-Backbone interact. energy: -0.707
local terms energy: -152.863382
where:
bonds (distance) C4'-P energy: -42.690
bonds (distance) P-C4' energy: -43.389
flat angles C4'-P-C4' energy: -31.136
flat angles P-C4'-P energy: -31.301
tors. eta vs tors. theta energy: -4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -974.465164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.465164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.465164 (E_RNA)
where:
Base-Base interactions energy: -667.630
where: short stacking energy: -296.006
Base-Backbone interact. energy: -1.062
local terms energy: -305.773755
where:
bonds (distance) C4'-P energy: -53.564
bonds (distance) P-C4' energy: -54.136
flat angles C4'-P-C4' energy: -62.867
flat angles P-C4'-P energy: -46.346
tors. eta vs tors. theta energy: -88.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -939.024373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.024373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.024373 (E_RNA)
where:
Base-Base interactions energy: -663.714
where: short stacking energy: -282.193
Base-Backbone interact. energy: -0.593
local terms energy: -274.717139
where:
bonds (distance) C4'-P energy: -44.939
bonds (distance) P-C4' energy: -51.790
flat angles C4'-P-C4' energy: -58.347
flat angles P-C4'-P energy: -35.141
tors. eta vs tors. theta energy: -84.500
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: 3
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -921.418445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.418445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.418445 (E_RNA)
where:
Base-Base interactions energy: -650.929
where: short stacking energy: -272.088
Base-Backbone interact. energy: -0.458
local terms energy: -270.031682
where:
bonds (distance) C4'-P energy: -39.448
bonds (distance) P-C4' energy: -53.382
flat angles C4'-P-C4' energy: -61.042
flat angles P-C4'-P energy: -41.564
tors. eta vs tors. theta energy: -74.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -844.792364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.792364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.792364 (E_RNA)
where:
Base-Base interactions energy: -589.817
where: short stacking energy: -240.098
Base-Backbone interact. energy: -1.606
local terms energy: -253.369306
where:
bonds (distance) C4'-P energy: -49.215
bonds (distance) P-C4' energy: -47.341
flat angles C4'-P-C4' energy: -58.214
flat angles P-C4'-P energy: -30.980
tors. eta vs tors. theta energy: -67.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -798.430431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.430431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.430431 (E_RNA)
where:
Base-Base interactions energy: -557.286
where: short stacking energy: -250.159
Base-Backbone interact. energy: -0.108
local terms energy: -241.036450
where:
bonds (distance) C4'-P energy: -43.064
bonds (distance) P-C4' energy: -39.371
flat angles C4'-P-C4' energy: -43.048
flat angles P-C4'-P energy: -37.748
tors. eta vs tors. theta energy: -77.805
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: 7
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -735.041687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.041687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.041687 (E_RNA)
where:
Base-Base interactions energy: -499.858
where: short stacking energy: -212.537
Base-Backbone interact. energy: -0.525
local terms energy: -234.659130
where:
bonds (distance) C4'-P energy: -49.734
bonds (distance) P-C4' energy: -37.211
flat angles C4'-P-C4' energy: -51.210
flat angles P-C4'-P energy: -39.492
tors. eta vs tors. theta energy: -57.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -737.632362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.632362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.632362 (E_RNA)
where:
Base-Base interactions energy: -488.445
where: short stacking energy: -215.083
Base-Backbone interact. energy: -0.279
local terms energy: -248.908745
where:
bonds (distance) C4'-P energy: -46.561
bonds (distance) P-C4' energy: -52.154
flat angles C4'-P-C4' energy: -45.589
flat angles P-C4'-P energy: -34.347
tors. eta vs tors. theta energy: -70.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -697.052896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.052896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.052896 (E_RNA)
where:
Base-Base interactions energy: -476.397
where: short stacking energy: -202.795
Base-Backbone interact. energy: 0.804
local terms energy: -221.460668
where:
bonds (distance) C4'-P energy: -39.070
bonds (distance) P-C4' energy: -40.633
flat angles C4'-P-C4' energy: -51.060
flat angles P-C4'-P energy: -35.927
tors. eta vs tors. theta energy: -54.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -380.514640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.514640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.514640 (E_RNA)
where:
Base-Base interactions energy: -214.109
where: short stacking energy: -104.105
Base-Backbone interact. energy: 0.440
local terms energy: -166.845389
where:
bonds (distance) C4'-P energy: -43.883
bonds (distance) P-C4' energy: -47.116
flat angles C4'-P-C4' energy: -40.933
flat angles P-C4'-P energy: -25.613
tors. eta vs tors. theta energy: -9.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -234.266208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.266208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.266208 (E_RNA)
where:
Base-Base interactions energy: -96.758
where: short stacking energy: -78.431
Base-Backbone interact. energy: 2.486
local terms energy: -139.993324
where:
bonds (distance) C4'-P energy: -36.009
bonds (distance) P-C4' energy: -46.728
flat angles C4'-P-C4' energy: -37.656
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -4.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -949.019449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.019449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.019449 (E_RNA)
where:
Base-Base interactions energy: -657.881
where: short stacking energy: -287.477
Base-Backbone interact. energy: -0.845
local terms energy: -290.293531
where:
bonds (distance) C4'-P energy: -56.889
bonds (distance) P-C4' energy: -52.363
flat angles C4'-P-C4' energy: -59.000
flat angles P-C4'-P energy: -37.271
tors. eta vs tors. theta energy: -84.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -942.685444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.685444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.685444 (E_RNA)
where:
Base-Base interactions energy: -651.091
where: short stacking energy: -292.176
Base-Backbone interact. energy: -0.799
local terms energy: -290.795794
where:
bonds (distance) C4'-P energy: -45.604
bonds (distance) P-C4' energy: -47.327
flat angles C4'-P-C4' energy: -62.294
flat angles P-C4'-P energy: -46.184
tors. eta vs tors. theta energy: -89.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -907.807817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.807817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.807817 (E_RNA)
where:
Base-Base interactions energy: -641.663
where: short stacking energy: -278.979
Base-Backbone interact. energy: -0.858
local terms energy: -265.286823
where:
bonds (distance) C4'-P energy: -47.429
bonds (distance) P-C4' energy: -43.556
flat angles C4'-P-C4' energy: -54.519
flat angles P-C4'-P energy: -37.463
tors. eta vs tors. theta energy: -82.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -865.671625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.671625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.671625 (E_RNA)
where:
Base-Base interactions energy: -605.632
where: short stacking energy: -256.175
Base-Backbone interact. energy: 0.097
local terms energy: -260.136422
where:
bonds (distance) C4'-P energy: -41.953
bonds (distance) P-C4' energy: -49.371
flat angles C4'-P-C4' energy: -53.234
flat angles P-C4'-P energy: -40.238
tors. eta vs tors. theta energy: -75.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -807.327873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.327873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.327873 (E_RNA)
where:
Base-Base interactions energy: -550.929
where: short stacking energy: -236.320
Base-Backbone interact. energy: -0.345
local terms energy: -256.054138
where:
bonds (distance) C4'-P energy: -47.332
bonds (distance) P-C4' energy: -48.290
flat angles C4'-P-C4' energy: -46.652
flat angles P-C4'-P energy: -43.775
tors. eta vs tors. theta energy: -70.006
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: 496
Temperature: 1.150000
Total energy: -771.076047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.076047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.076047 (E_RNA)
where:
Base-Base interactions energy: -517.253
where: short stacking energy: -223.435
Base-Backbone interact. energy: -1.261
local terms energy: -252.561655
where:
bonds (distance) C4'-P energy: -47.505
bonds (distance) P-C4' energy: -42.023
flat angles C4'-P-C4' energy: -58.647
flat angles P-C4'-P energy: -38.930
tors. eta vs tors. theta energy: -65.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -758.930848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.930848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.930848 (E_RNA)
where:
Base-Base interactions energy: -525.517
where: short stacking energy: -214.657
Base-Backbone interact. energy: 1.145
local terms energy: -234.558749
where:
bonds (distance) C4'-P energy: -48.594
bonds (distance) P-C4' energy: -47.456
flat angles C4'-P-C4' energy: -45.111
flat angles P-C4'-P energy: -31.966
tors. eta vs tors. theta energy: -61.433
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: 496
Temperature: 1.250000
Total energy: -656.614021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.614021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.614021 (E_RNA)
where:
Base-Base interactions energy: -433.887
where: short stacking energy: -195.659
Base-Backbone interact. energy: -0.355
local terms energy: -222.372590
where:
bonds (distance) C4'-P energy: -50.511
bonds (distance) P-C4' energy: -50.411
flat angles C4'-P-C4' energy: -49.041
flat angles P-C4'-P energy: -23.965
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: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -382.981713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.981713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.981713 (E_RNA)
where:
Base-Base interactions energy: -222.045
where: short stacking energy: -100.063
Base-Backbone interact. energy: -1.305
local terms energy: -159.632025
where:
bonds (distance) C4'-P energy: -38.064
bonds (distance) P-C4' energy: -43.641
flat angles C4'-P-C4' energy: -42.690
flat angles P-C4'-P energy: -25.707
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -221.107597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.107597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.107597 (E_RNA)
where:
Base-Base interactions energy: -78.846
where: short stacking energy: -64.449
Base-Backbone interact. energy: -0.866
local terms energy: -141.396281
where:
bonds (distance) C4'-P energy: -41.771
bonds (distance) P-C4' energy: -56.406
flat angles C4'-P-C4' energy: -40.800
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: 9.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -959.187836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.187836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.187836 (E_RNA)
where:
Base-Base interactions energy: -667.103
where: short stacking energy: -273.052
Base-Backbone interact. energy: -0.506
local terms energy: -291.578643
where:
bonds (distance) C4'-P energy: -54.033
bonds (distance) P-C4' energy: -51.537
flat angles C4'-P-C4' energy: -61.060
flat angles P-C4'-P energy: -42.316
tors. eta vs tors. theta energy: -82.633
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: 3
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -916.946431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.946431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.946431 (E_RNA)
where:
Base-Base interactions energy: -634.643
where: short stacking energy: -273.548
Base-Backbone interact. energy: -0.925
local terms energy: -281.378352
where:
bonds (distance) C4'-P energy: -44.008
bonds (distance) P-C4' energy: -54.473
flat angles C4'-P-C4' energy: -58.373
flat angles P-C4'-P energy: -44.029
tors. eta vs tors. theta energy: -80.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -905.291926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.291926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.291926 (E_RNA)
where:
Base-Base interactions energy: -627.372
where: short stacking energy: -279.252
Base-Backbone interact. energy: -0.844
local terms energy: -277.075395
where:
bonds (distance) C4'-P energy: -47.365
bonds (distance) P-C4' energy: -53.998
flat angles C4'-P-C4' energy: -56.321
flat angles P-C4'-P energy: -38.083
tors. eta vs tors. theta energy: -81.309
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: 4, replica: 8
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -862.644645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.644645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.644645 (E_RNA)
where:
Base-Base interactions energy: -596.856
where: short stacking energy: -255.399
Base-Backbone interact. energy: -1.318
local terms energy: -264.471089
where:
bonds (distance) C4'-P energy: -44.391
bonds (distance) P-C4' energy: -51.737
flat angles C4'-P-C4' energy: -55.736
flat angles P-C4'-P energy: -36.413
tors. eta vs tors. theta energy: -76.194
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: 497
Temperature: 1.100000
Total energy: -800.001485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.001485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.001485 (E_RNA)
where:
Base-Base interactions energy: -547.470
where: short stacking energy: -242.767
Base-Backbone interact. energy: -0.731
local terms energy: -251.800259
where:
bonds (distance) C4'-P energy: -48.295
bonds (distance) P-C4' energy: -49.743
flat angles C4'-P-C4' energy: -43.541
flat angles P-C4'-P energy: -38.496
tors. eta vs tors. theta energy: -71.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -765.139327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.139327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.139327 (E_RNA)
where:
Base-Base interactions energy: -517.850
where: short stacking energy: -227.875
Base-Backbone interact. energy: 0.337
local terms energy: -247.626863
where:
bonds (distance) C4'-P energy: -47.041
bonds (distance) P-C4' energy: -43.214
flat angles C4'-P-C4' energy: -51.219
flat angles P-C4'-P energy: -38.086
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: 7, replica: 5
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -739.326752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.326752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.326752 (E_RNA)
where:
Base-Base interactions energy: -515.450
where: short stacking energy: -212.655
Base-Backbone interact. energy: -1.485
local terms energy: -222.392482
where:
bonds (distance) C4'-P energy: -43.136
bonds (distance) P-C4' energy: -37.201
flat angles C4'-P-C4' energy: -50.213
flat angles P-C4'-P energy: -33.609
tors. eta vs tors. theta energy: -58.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -647.095887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.095887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.095887 (E_RNA)
where:
Base-Base interactions energy: -424.972
where: short stacking energy: -183.617
Base-Backbone interact. energy: -1.475
local terms energy: -220.649027
where:
bonds (distance) C4'-P energy: -57.767
bonds (distance) P-C4' energy: -41.478
flat angles C4'-P-C4' energy: -55.396
flat angles P-C4'-P energy: -25.565
tors. eta vs tors. theta energy: -40.443
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: 9, replica: 4
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -370.028142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.028142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.028142 (E_RNA)
where:
Base-Base interactions energy: -197.802
where: short stacking energy: -109.787
Base-Backbone interact. energy: 1.817
local terms energy: -174.043539
where:
bonds (distance) C4'-P energy: -35.449
bonds (distance) P-C4' energy: -50.378
flat angles C4'-P-C4' energy: -41.433
flat angles P-C4'-P energy: -26.831
tors. eta vs tors. theta energy: -19.952
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: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -212.440747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.440747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.440747 (E_RNA)
where:
Base-Base interactions energy: -64.606
where: short stacking energy: -57.632
Base-Backbone interact. energy: 0.121
local terms energy: -147.955613
where:
bonds (distance) C4'-P energy: -39.809
bonds (distance) P-C4' energy: -43.930
flat angles C4'-P-C4' energy: -40.370
flat angles P-C4'-P energy: -23.577
tors. eta vs tors. theta energy: -0.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -945.297795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.297795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.297795 (E_RNA)
where:
Base-Base interactions energy: -635.803
where: short stacking energy: -282.746
Base-Backbone interact. energy: 0.520
local terms energy: -310.014938
where:
bonds (distance) C4'-P energy: -52.116
bonds (distance) P-C4' energy: -58.948
flat angles C4'-P-C4' energy: -65.349
flat angles P-C4'-P energy: -46.444
tors. eta vs tors. theta energy: -87.158
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: 2, replica: 9
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -946.342849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.342849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.342849 (E_RNA)
where:
Base-Base interactions energy: -655.815
where: short stacking energy: -297.956
Base-Backbone interact. energy: -0.785
local terms energy: -289.743044
where:
bonds (distance) C4'-P energy: -50.128
bonds (distance) P-C4' energy: -54.784
flat angles C4'-P-C4' energy: -62.136
flat angles P-C4'-P energy: -39.343
tors. eta vs tors. theta energy: -83.351
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: 1
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -911.231845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.231845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.231845 (E_RNA)
where:
Base-Base interactions energy: -620.160
where: short stacking energy: -254.714
Base-Backbone interact. energy: -0.524
local terms energy: -290.547801
where:
bonds (distance) C4'-P energy: -53.877
bonds (distance) P-C4' energy: -52.158
flat angles C4'-P-C4' energy: -61.530
flat angles P-C4'-P energy: -46.169
tors. eta vs tors. theta energy: -76.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -828.506985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.506985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.506985 (E_RNA)
where:
Base-Base interactions energy: -587.294
where: short stacking energy: -252.819
Base-Backbone interact. energy: -1.131
local terms energy: -240.082184
where:
bonds (distance) C4'-P energy: -43.636
bonds (distance) P-C4' energy: -42.361
flat angles C4'-P-C4' energy: -51.170
flat angles P-C4'-P energy: -31.559
tors. eta vs tors. theta energy: -71.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -804.362921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.362921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.362921 (E_RNA)
where:
Base-Base interactions energy: -549.710
where: short stacking energy: -247.188
Base-Backbone interact. energy: -1.385
local terms energy: -253.267768
where:
bonds (distance) C4'-P energy: -53.466
bonds (distance) P-C4' energy: -35.250
flat angles C4'-P-C4' energy: -57.928
flat angles P-C4'-P energy: -38.640
tors. eta vs tors. theta energy: -67.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -744.584110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.584110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.584110 (E_RNA)
where:
Base-Base interactions energy: -526.087
where: short stacking energy: -216.905
Base-Backbone interact. energy: 1.621
local terms energy: -220.117346
where:
bonds (distance) C4'-P energy: -40.560
bonds (distance) P-C4' energy: -41.644
flat angles C4'-P-C4' energy: -50.569
flat angles P-C4'-P energy: -33.773
tors. eta vs tors. theta energy: -53.570
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: 5
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -769.027642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.027642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.027642 (E_RNA)
where:
Base-Base interactions energy: -523.683
where: short stacking energy: -208.335
Base-Backbone interact. energy: -0.118
local terms energy: -245.226280
where:
bonds (distance) C4'-P energy: -45.434
bonds (distance) P-C4' energy: -53.315
flat angles C4'-P-C4' energy: -47.918
flat angles P-C4'-P energy: -31.015
tors. eta vs tors. theta energy: -67.545
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: 6
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -664.403478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.403478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.403478 (E_RNA)
where:
Base-Base interactions energy: -439.520
where: short stacking energy: -194.762
Base-Backbone interact. energy: -1.958
local terms energy: -222.925548
where:
bonds (distance) C4'-P energy: -36.953
bonds (distance) P-C4' energy: -43.826
flat angles C4'-P-C4' energy: -54.301
flat angles P-C4'-P energy: -40.315
tors. eta vs tors. theta energy: -47.530
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: 4
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -366.083168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.083168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.083168 (E_RNA)
where:
Base-Base interactions energy: -179.367
where: short stacking energy: -99.245
Base-Backbone interact. energy: -0.972
local terms energy: -185.744497
where:
bonds (distance) C4'-P energy: -44.217
bonds (distance) P-C4' energy: -54.365
flat angles C4'-P-C4' energy: -44.752
flat angles P-C4'-P energy: -21.819
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: 498
Temperature: 1.350000
Total energy: -241.211199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.211199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.211199 (E_RNA)
where:
Base-Base interactions energy: -81.990
where: short stacking energy: -77.034
Base-Backbone interact. energy: -0.634
local terms energy: -158.587222
where:
bonds (distance) C4'-P energy: -38.469
bonds (distance) P-C4' energy: -41.362
flat angles C4'-P-C4' energy: -45.308
flat angles P-C4'-P energy: -25.379
tors. eta vs tors. theta energy: -8.069
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: 3
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -966.611728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.611728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.611728 (E_RNA)
where:
Base-Base interactions energy: -664.620
where: short stacking energy: -295.258
Base-Backbone interact. energy: -0.920
local terms energy: -301.072438
where:
bonds (distance) C4'-P energy: -55.481
bonds (distance) P-C4' energy: -53.548
flat angles C4'-P-C4' energy: -62.595
flat angles P-C4'-P energy: -46.164
tors. eta vs tors. theta energy: -83.284
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: 2, replica: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -944.714651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.714651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.714651 (E_RNA)
where:
Base-Base interactions energy: -643.152
where: short stacking energy: -281.472
Base-Backbone interact. energy: -0.229
local terms energy: -301.333218
where:
bonds (distance) C4'-P energy: -54.143
bonds (distance) P-C4' energy: -51.993
flat angles C4'-P-C4' energy: -61.216
flat angles P-C4'-P energy: -44.175
tors. eta vs tors. theta energy: -89.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -925.752288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.752288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.752288 (E_RNA)
where:
Base-Base interactions energy: -644.339
where: short stacking energy: -283.501
Base-Backbone interact. energy: -0.701
local terms energy: -280.712252
where:
bonds (distance) C4'-P energy: -41.531
bonds (distance) P-C4' energy: -50.277
flat angles C4'-P-C4' energy: -62.114
flat angles P-C4'-P energy: -41.678
tors. eta vs tors. theta energy: -85.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -836.230385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.230385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.230385 (E_RNA)
where:
Base-Base interactions energy: -588.772
where: short stacking energy: -244.301
Base-Backbone interact. energy: -0.082
local terms energy: -247.375698
where:
bonds (distance) C4'-P energy: -43.357
bonds (distance) P-C4' energy: -54.579
flat angles C4'-P-C4' energy: -44.604
flat angles P-C4'-P energy: -40.029
tors. eta vs tors. theta energy: -64.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -803.999474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.999474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.999474 (E_RNA)
where:
Base-Base interactions energy: -554.922
where: short stacking energy: -255.810
Base-Backbone interact. energy: -1.083
local terms energy: -247.994537
where:
bonds (distance) C4'-P energy: -43.240
bonds (distance) P-C4' energy: -50.719
flat angles C4'-P-C4' energy: -58.026
flat angles P-C4'-P energy: -28.141
tors. eta vs tors. theta energy: -67.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -763.700805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.700805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.700805 (E_RNA)
where:
Base-Base interactions energy: -503.893
where: short stacking energy: -219.301
Base-Backbone interact. energy: -0.662
local terms energy: -259.145868
where:
bonds (distance) C4'-P energy: -47.584
bonds (distance) P-C4' energy: -50.053
flat angles C4'-P-C4' energy: -58.797
flat angles P-C4'-P energy: -41.802
tors. eta vs tors. theta energy: -60.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -729.025064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.025064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.025064 (E_RNA)
where:
Base-Base interactions energy: -512.629
where: short stacking energy: -215.244
Base-Backbone interact. energy: -1.331
local terms energy: -215.064936
where:
bonds (distance) C4'-P energy: -50.992
bonds (distance) P-C4' energy: -41.138
flat angles C4'-P-C4' energy: -46.455
flat angles P-C4'-P energy: -32.773
tors. eta vs tors. theta energy: -43.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -680.638855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.638855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.638855 (E_RNA)
where:
Base-Base interactions energy: -475.785
where: short stacking energy: -194.486
Base-Backbone interact. energy: -0.547
local terms energy: -204.306788
where:
bonds (distance) C4'-P energy: -47.479
bonds (distance) P-C4' energy: -30.626
flat angles C4'-P-C4' energy: -52.713
flat angles P-C4'-P energy: -28.877
tors. eta vs tors. theta energy: -44.612
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: 4
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -370.394188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.394188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.394188 (E_RNA)
where:
Base-Base interactions energy: -205.446
where: short stacking energy: -119.083
Base-Backbone interact. energy: -0.715
local terms energy: -164.233477
where:
bonds (distance) C4'-P energy: -38.077
bonds (distance) P-C4' energy: -37.931
flat angles C4'-P-C4' energy: -46.726
flat angles P-C4'-P energy: -34.671
tors. eta vs tors. theta energy: -6.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -221.472801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.472801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.472801 (E_RNA)
where:
Base-Base interactions energy: -95.711
where: short stacking energy: -59.984
Base-Backbone interact. energy: 1.358
local terms energy: -127.119199
where:
bonds (distance) C4'-P energy: -43.839
bonds (distance) P-C4' energy: -33.175
flat angles C4'-P-C4' energy: -28.635
flat angles P-C4'-P energy: -30.899
tors. eta vs tors. theta energy: 9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -950.089398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.089398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.089398 (E_RNA)
where:
Base-Base interactions energy: -666.574
where: short stacking energy: -288.752
Base-Backbone interact. energy: -1.049
local terms energy: -282.466675
where:
bonds (distance) C4'-P energy: -52.499
bonds (distance) P-C4' energy: -46.686
flat angles C4'-P-C4' energy: -58.757
flat angles P-C4'-P energy: -41.837
tors. eta vs tors. theta energy: -82.688
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: 1
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -910.291070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.291070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.291070 (E_RNA)
where:
Base-Base interactions energy: -621.855
where: short stacking energy: -275.933
Base-Backbone interact. energy: 0.771
local terms energy: -289.207325
where:
bonds (distance) C4'-P energy: -49.220
bonds (distance) P-C4' energy: -54.315
flat angles C4'-P-C4' energy: -55.142
flat angles P-C4'-P energy: -40.938
tors. eta vs tors. theta energy: -89.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -914.145607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.145607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.145607 (E_RNA)
where:
Base-Base interactions energy: -638.436
where: short stacking energy: -279.393
Base-Backbone interact. energy: -0.680
local terms energy: -275.029527
where:
bonds (distance) C4'-P energy: -48.539
bonds (distance) P-C4' energy: -51.281
flat angles C4'-P-C4' energy: -51.783
flat angles P-C4'-P energy: -37.700
tors. eta vs tors. theta energy: -85.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -861.891412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.891412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.891412 (E_RNA)
where:
Base-Base interactions energy: -593.673
where: short stacking energy: -253.908
Base-Backbone interact. energy: -2.685
local terms energy: -265.533847
where:
bonds (distance) C4'-P energy: -48.463
bonds (distance) P-C4' energy: -49.699
flat angles C4'-P-C4' energy: -56.047
flat angles P-C4'-P energy: -37.486
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: 5, replica: 2
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -801.326568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.326568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.326568 (E_RNA)
where:
Base-Base interactions energy: -536.447
where: short stacking energy: -230.551
Base-Backbone interact. energy: -0.260
local terms energy: -264.618911
where:
bonds (distance) C4'-P energy: -54.229
bonds (distance) P-C4' energy: -46.460
flat angles C4'-P-C4' energy: -59.455
flat angles P-C4'-P energy: -36.076
tors. eta vs tors. theta energy: -68.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -775.389824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.389824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.389824 (E_RNA)
where:
Base-Base interactions energy: -524.038
where: short stacking energy: -228.269
Base-Backbone interact. energy: -0.275
local terms energy: -251.077336
where:
bonds (distance) C4'-P energy: -45.807
bonds (distance) P-C4' energy: -52.284
flat angles C4'-P-C4' energy: -53.269
flat angles P-C4'-P energy: -38.382
tors. eta vs tors. theta energy: -61.336
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: 500
Temperature: 1.200000
Total energy: -738.536103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.536103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.536103 (E_RNA)
where:
Base-Base interactions energy: -495.811
where: short stacking energy: -224.386
Base-Backbone interact. energy: 2.408
local terms energy: -245.133474
where:
bonds (distance) C4'-P energy: -45.178
bonds (distance) P-C4' energy: -45.553
flat angles C4'-P-C4' energy: -56.207
flat angles P-C4'-P energy: -39.719
tors. eta vs tors. theta energy: -58.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -702.812648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.812648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.812648 (E_RNA)
where:
Base-Base interactions energy: -489.075
where: short stacking energy: -188.329
Base-Backbone interact. energy: 0.567
local terms energy: -214.304814
where:
bonds (distance) C4'-P energy: -38.634
bonds (distance) P-C4' energy: -49.593
flat angles C4'-P-C4' energy: -49.062
flat angles P-C4'-P energy: -30.205
tors. eta vs tors. theta energy: -46.812
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: 4
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -366.943665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.943665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.943665 (E_RNA)
where:
Base-Base interactions energy: -200.891
where: short stacking energy: -106.629
Base-Backbone interact. energy: 0.792
local terms energy: -166.844735
where:
bonds (distance) C4'-P energy: -42.684
bonds (distance) P-C4' energy: -43.840
flat angles C4'-P-C4' energy: -46.284
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -255.600003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.600003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.600003 (E_RNA)
where:
Base-Base interactions energy: -110.516
where: short stacking energy: -77.589
Base-Backbone interact. energy: 0.894
local terms energy: -145.977538
where:
bonds (distance) C4'-P energy: -34.737
bonds (distance) P-C4' energy: -50.151
flat angles C4'-P-C4' energy: -28.333
flat angles P-C4'-P energy: -33.015
tors. eta vs tors. theta energy: 0.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -954.767786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.767786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.767786 (E_RNA)
where:
Base-Base interactions energy: -650.875
where: short stacking energy: -287.881
Base-Backbone interact. energy: -1.070
local terms energy: -302.822481
where:
bonds (distance) C4'-P energy: -56.748
bonds (distance) P-C4' energy: -58.921
flat angles C4'-P-C4' energy: -59.411
flat angles P-C4'-P energy: -42.421
tors. eta vs tors. theta energy: -85.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -950.690009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.690009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.690009 (E_RNA)
where:
Base-Base interactions energy: -657.702
where: short stacking energy: -298.325
Base-Backbone interact. energy: -0.662
local terms energy: -292.326272
where:
bonds (distance) C4'-P energy: -45.576
bonds (distance) P-C4' energy: -55.831
flat angles C4'-P-C4' energy: -63.777
flat angles P-C4'-P energy: -39.344
tors. eta vs tors. theta energy: -87.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -923.378243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.378243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.378243 (E_RNA)
where:
Base-Base interactions energy: -637.066
where: short stacking energy: -271.618
Base-Backbone interact. energy: -0.160
local terms energy: -286.152268
where:
bonds (distance) C4'-P energy: -44.042
bonds (distance) P-C4' energy: -53.907
flat angles C4'-P-C4' energy: -56.910
flat angles P-C4'-P energy: -46.910
tors. eta vs tors. theta energy: -84.384
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: 2
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -814.095947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.095947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.095947 (E_RNA)
where:
Base-Base interactions energy: -560.194
where: short stacking energy: -250.341
Base-Backbone interact. energy: -1.052
local terms energy: -252.849932
where:
bonds (distance) C4'-P energy: -49.702
bonds (distance) P-C4' energy: -46.074
flat angles C4'-P-C4' energy: -58.246
flat angles P-C4'-P energy: -33.877
tors. eta vs tors. theta energy: -64.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -835.251498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.251498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.251498 (E_RNA)
where:
Base-Base interactions energy: -577.907
where: short stacking energy: -249.509
Base-Backbone interact. energy: -0.593
local terms energy: -256.751456
where:
bonds (distance) C4'-P energy: -38.669
bonds (distance) P-C4' energy: -45.832
flat angles C4'-P-C4' energy: -52.860
flat angles P-C4'-P energy: -42.906
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: 6, replica: 6
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -732.119200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.119200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.119200 (E_RNA)
where:
Base-Base interactions energy: -504.792
where: short stacking energy: -218.960
Base-Backbone interact. energy: -0.212
local terms energy: -227.115895
where:
bonds (distance) C4'-P energy: -48.124
bonds (distance) P-C4' energy: -33.615
flat angles C4'-P-C4' energy: -50.278
flat angles P-C4'-P energy: -39.111
tors. eta vs tors. theta energy: -55.987
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: 5
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -753.594686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.594686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.594686 (E_RNA)
where:
Base-Base interactions energy: -504.409
where: short stacking energy: -207.617
Base-Backbone interact. energy: 0.875
local terms energy: -250.060615
where:
bonds (distance) C4'-P energy: -56.584
bonds (distance) P-C4' energy: -46.223
flat angles C4'-P-C4' energy: -58.929
flat angles P-C4'-P energy: -30.279
tors. eta vs tors. theta energy: -58.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -745.914962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.914962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.914962 (E_RNA)
where:
Base-Base interactions energy: -519.292
where: short stacking energy: -199.769
Base-Backbone interact. energy: 1.099
local terms energy: -227.721901
where:
bonds (distance) C4'-P energy: -32.259
bonds (distance) P-C4' energy: -43.990
flat angles C4'-P-C4' energy: -54.697
flat angles P-C4'-P energy: -36.286
tors. eta vs tors. theta energy: -60.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -421.180445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.180445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.180445 (E_RNA)
where:
Base-Base interactions energy: -261.380
where: short stacking energy: -129.410
Base-Backbone interact. energy: -0.949
local terms energy: -158.850999
where:
bonds (distance) C4'-P energy: -37.161
bonds (distance) P-C4' energy: -36.916
flat angles C4'-P-C4' energy: -42.040
flat angles P-C4'-P energy: -27.389
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -234.514733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.514733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.514733 (E_RNA)
where:
Base-Base interactions energy: -79.966
where: short stacking energy: -67.939
Base-Backbone interact. energy: -2.058
local terms energy: -152.491263
where:
bonds (distance) C4'-P energy: -46.711
bonds (distance) P-C4' energy: -38.824
flat angles C4'-P-C4' energy: -46.493
flat angles P-C4'-P energy: -21.720
tors. eta vs tors. theta energy: 1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 34959487
moves confirmed later: 36874257
all moves confirmed: 71833744
percent of confirmed moves: 8.979218
current total energy: -886.644459
recalc. total energy: -886.644459
replica 9 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 47441725
moves confirmed later: 53662367
all moves confirmed: 101104092
percent of confirmed moves: 12.638011
current total energy: -861.141529
recalc. total energy: -861.141529
replica 1 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 35308238
moves confirmed later: 37340573
all moves confirmed: 72648811
percent of confirmed moves: 9.081101
current total energy: -845.480257
recalc. total energy: -845.480257
replica 2 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 41874569
moves confirmed later: 46078356
all moves confirmed: 87952925
percent of confirmed moves: 10.994116
current total energy: -769.617885
recalc. total energy: -769.617885
replica 8 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 50344945
moves confirmed later: 57445849
all moves confirmed: 107790794
percent of confirmed moves: 13.473849
current total energy: -694.744794
recalc. total energy: -694.744794
replica 6 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 42354731
moves confirmed later: 46727934
all moves confirmed: 89082665
percent of confirmed moves: 11.135333
current total energy: -666.915098
recalc. total energy: -666.915098
replica 7 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 65123819
moves confirmed later: 76680120
all moves confirmed: 141803939
percent of confirmed moves: 17.725492
current total energy: -658.539020
recalc. total energy: -658.539020
replica 5 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 45308059
moves confirmed later: 50691379
all moves confirmed: 95999438
percent of confirmed moves: 11.999930
current total energy: -660.341128
recalc. total energy: -660.341128
replica 4 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 56795708
moves confirmed later: 65828951
all moves confirmed: 122624659
percent of confirmed moves: 15.328082
current total energy: -356.333613
recalc. total energy: -356.333613
replica 10 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 95764531
moves confirmed later: 116133894
all moves confirmed: 211898425
percent of confirmed moves: 26.487303
current total energy: -138.739928
recalc. total energy: -138.739928
out arg RESULTS//1/Denv2_dominio3_RNAco-12a3d678_01
Time of doing 8000000 iterations: 11734.122 seconds