SimRNA (c) 2009-2024 Genesilico, ver. 3.33
Replica Exchange Monte Carlo Method is SWITCHED ON
10 replicas were ordered
.reading parameteres
setting random seed = 1
initiating replica nr: 1
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio3_RNAco-29ba94f1/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/Denv3_dominio3_RNAco-29ba94f1/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/Denv3_dominio3_RNAco-29ba94f1/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/Denv3_dominio3_RNAco-29ba94f1/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/Denv3_dominio3_RNAco-29ba94f1/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/Denv3_dominio3_RNAco-29ba94f1/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/Denv3_dominio3_RNAco-29ba94f1/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/Denv3_dominio3_RNAco-29ba94f1/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/Denv3_dominio3_RNAco-29ba94f1/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/Denv3_dominio3_RNAco-29ba94f1/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: -687.961522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.961522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.961522 (E_RNA)
where:
Base-Base interactions energy: -461.530
where: short stacking energy: -177.126
Base-Backbone interact. energy: -1.696
local terms energy: -224.734795
where:
bonds (distance) C4'-P energy: -46.111
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -46.126
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -55.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -687.961522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.961522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.961522 (E_RNA)
where:
Base-Base interactions energy: -461.530
where: short stacking energy: -177.126
Base-Backbone interact. energy: -1.696
local terms energy: -224.734795
where:
bonds (distance) C4'-P energy: -46.111
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -46.126
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -55.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -687.961522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.961522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.961522 (E_RNA)
where:
Base-Base interactions energy: -461.530
where: short stacking energy: -177.126
Base-Backbone interact. energy: -1.696
local terms energy: -224.734795
where:
bonds (distance) C4'-P energy: -46.111
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -46.126
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -55.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -687.961522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.961522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.961522 (E_RNA)
where:
Base-Base interactions energy: -461.530
where: short stacking energy: -177.126
Base-Backbone interact. energy: -1.696
local terms energy: -224.734795
where:
bonds (distance) C4'-P energy: -46.111
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -46.126
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -55.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -687.961522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.961522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.961522 (E_RNA)
where:
Base-Base interactions energy: -461.530
where: short stacking energy: -177.126
Base-Backbone interact. energy: -1.696
local terms energy: -224.734795
where:
bonds (distance) C4'-P energy: -46.111
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -46.126
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -55.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -687.961522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.961522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.961522 (E_RNA)
where:
Base-Base interactions energy: -461.530
where: short stacking energy: -177.126
Base-Backbone interact. energy: -1.696
local terms energy: -224.734795
where:
bonds (distance) C4'-P energy: -46.111
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -46.126
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -55.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -687.961522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.961522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.961522 (E_RNA)
where:
Base-Base interactions energy: -461.530
where: short stacking energy: -177.126
Base-Backbone interact. energy: -1.696
local terms energy: -224.734795
where:
bonds (distance) C4'-P energy: -46.111
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -46.126
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -55.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -687.961522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.961522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.961522 (E_RNA)
where:
Base-Base interactions energy: -461.530
where: short stacking energy: -177.126
Base-Backbone interact. energy: -1.696
local terms energy: -224.734795
where:
bonds (distance) C4'-P energy: -46.111
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -46.126
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -55.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -687.961522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.961522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.961522 (E_RNA)
where:
Base-Base interactions energy: -461.530
where: short stacking energy: -177.126
Base-Backbone interact. energy: -1.696
local terms energy: -224.734795
where:
bonds (distance) C4'-P energy: -46.111
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -46.126
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -55.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -687.961522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.961522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.961522 (E_RNA)
where:
Base-Base interactions energy: -461.530
where: short stacking energy: -177.126
Base-Backbone interact. energy: -1.696
local terms energy: -224.734795
where:
bonds (distance) C4'-P energy: -46.111
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -46.126
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -55.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -893.338778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.338778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.338778 (E_RNA)
where:
Base-Base interactions energy: -630.495
where: short stacking energy: -270.556
Base-Backbone interact. energy: -0.286
local terms energy: -262.558429
where:
bonds (distance) C4'-P energy: -41.647
bonds (distance) P-C4' energy: -59.185
flat angles C4'-P-C4' energy: -57.609
flat angles P-C4'-P energy: -35.915
tors. eta vs tors. theta energy: -68.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -835.378961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.378961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.378961 (E_RNA)
where:
Base-Base interactions energy: -579.647
where: short stacking energy: -245.902
Base-Backbone interact. energy: -1.280
local terms energy: -254.451716
where:
bonds (distance) C4'-P energy: -52.411
bonds (distance) P-C4' energy: -41.016
flat angles C4'-P-C4' energy: -56.412
flat angles P-C4'-P energy: -41.728
tors. eta vs tors. theta energy: -62.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -813.875583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.875583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.875583 (E_RNA)
where:
Base-Base interactions energy: -558.098
where: short stacking energy: -239.510
Base-Backbone interact. energy: -1.592
local terms energy: -254.185338
where:
bonds (distance) C4'-P energy: -51.895
bonds (distance) P-C4' energy: -57.002
flat angles C4'-P-C4' energy: -56.415
flat angles P-C4'-P energy: -36.088
tors. eta vs tors. theta energy: -52.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -796.101466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.101466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.101466 (E_RNA)
where:
Base-Base interactions energy: -555.144
where: short stacking energy: -224.829
Base-Backbone interact. energy: 0.473
local terms energy: -241.429664
where:
bonds (distance) C4'-P energy: -49.392
bonds (distance) P-C4' energy: -45.832
flat angles C4'-P-C4' energy: -55.104
flat angles P-C4'-P energy: -39.040
tors. eta vs tors. theta energy: -52.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -778.851877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.851877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.851877 (E_RNA)
where:
Base-Base interactions energy: -552.425
where: short stacking energy: -220.548
Base-Backbone interact. energy: -2.674
local terms energy: -223.752903
where:
bonds (distance) C4'-P energy: -37.931
bonds (distance) P-C4' energy: -52.509
flat angles C4'-P-C4' energy: -46.422
flat angles P-C4'-P energy: -29.908
tors. eta vs tors. theta energy: -56.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -755.202176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.202176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.202176 (E_RNA)
where:
Base-Base interactions energy: -519.979
where: short stacking energy: -213.295
Base-Backbone interact. energy: -0.433
local terms energy: -234.790419
where:
bonds (distance) C4'-P energy: -34.535
bonds (distance) P-C4' energy: -49.524
flat angles C4'-P-C4' energy: -49.226
flat angles P-C4'-P energy: -46.142
tors. eta vs tors. theta energy: -55.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -717.788821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.788821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.788821 (E_RNA)
where:
Base-Base interactions energy: -489.587
where: short stacking energy: -194.483
Base-Backbone interact. energy: -1.093
local terms energy: -227.109404
where:
bonds (distance) C4'-P energy: -43.934
bonds (distance) P-C4' energy: -49.150
flat angles C4'-P-C4' energy: -54.795
flat angles P-C4'-P energy: -28.388
tors. eta vs tors. theta energy: -50.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -704.418564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.418564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.418564 (E_RNA)
where:
Base-Base interactions energy: -481.776
where: short stacking energy: -197.418
Base-Backbone interact. energy: -1.993
local terms energy: -220.649238
where:
bonds (distance) C4'-P energy: -50.197
bonds (distance) P-C4' energy: -41.368
flat angles C4'-P-C4' energy: -42.023
flat angles P-C4'-P energy: -37.070
tors. eta vs tors. theta energy: -49.990
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -723.293618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.293618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.293618 (E_RNA)
where:
Base-Base interactions energy: -479.932
where: short stacking energy: -184.676
Base-Backbone interact. energy: 0.791
local terms energy: -244.152344
where:
bonds (distance) C4'-P energy: -58.605
bonds (distance) P-C4' energy: -53.379
flat angles C4'-P-C4' energy: -52.240
flat angles P-C4'-P energy: -25.457
tors. eta vs tors. theta energy: -54.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -703.265948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.265948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.265948 (E_RNA)
where:
Base-Base interactions energy: -478.554
where: short stacking energy: -185.756
Base-Backbone interact. energy: 3.519
local terms energy: -228.231769
where:
bonds (distance) C4'-P energy: -47.497
bonds (distance) P-C4' energy: -52.032
flat angles C4'-P-C4' energy: -49.088
flat angles P-C4'-P energy: -23.827
tors. eta vs tors. theta energy: -55.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -866.417278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.417278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.417278 (E_RNA)
where:
Base-Base interactions energy: -598.896
where: short stacking energy: -240.631
Base-Backbone interact. energy: -1.919
local terms energy: -265.602160
where:
bonds (distance) C4'-P energy: -51.872
bonds (distance) P-C4' energy: -53.265
flat angles C4'-P-C4' energy: -58.624
flat angles P-C4'-P energy: -37.375
tors. eta vs tors. theta energy: -64.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -858.584635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.584635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.584635 (E_RNA)
where:
Base-Base interactions energy: -584.028
where: short stacking energy: -248.229
Base-Backbone interact. energy: -1.831
local terms energy: -272.725184
where:
bonds (distance) C4'-P energy: -48.608
bonds (distance) P-C4' energy: -58.451
flat angles C4'-P-C4' energy: -56.203
flat angles P-C4'-P energy: -46.154
tors. eta vs tors. theta energy: -63.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -811.451502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.451502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.451502 (E_RNA)
where:
Base-Base interactions energy: -555.189
where: short stacking energy: -240.296
Base-Backbone interact. energy: -0.593
local terms energy: -255.669294
where:
bonds (distance) C4'-P energy: -46.220
bonds (distance) P-C4' energy: -57.079
flat angles C4'-P-C4' energy: -56.449
flat angles P-C4'-P energy: -34.875
tors. eta vs tors. theta energy: -61.046
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -806.326593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.326593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.326593 (E_RNA)
where:
Base-Base interactions energy: -551.429
where: short stacking energy: -230.117
Base-Backbone interact. energy: 5.647
local terms energy: -260.544364
where:
bonds (distance) C4'-P energy: -52.834
bonds (distance) P-C4' energy: -46.486
flat angles C4'-P-C4' energy: -62.197
flat angles P-C4'-P energy: -37.040
tors. eta vs tors. theta energy: -61.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -755.040653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.040653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.040653 (E_RNA)
where:
Base-Base interactions energy: -519.413
where: short stacking energy: -205.245
Base-Backbone interact. energy: -0.044
local terms energy: -235.583554
where:
bonds (distance) C4'-P energy: -48.438
bonds (distance) P-C4' energy: -50.995
flat angles C4'-P-C4' energy: -60.135
flat angles P-C4'-P energy: -28.293
tors. eta vs tors. theta energy: -47.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -754.198778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.198778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.198778 (E_RNA)
where:
Base-Base interactions energy: -526.481
where: short stacking energy: -218.780
Base-Backbone interact. energy: -0.293
local terms energy: -227.425290
where:
bonds (distance) C4'-P energy: -40.414
bonds (distance) P-C4' energy: -54.076
flat angles C4'-P-C4' energy: -53.632
flat angles P-C4'-P energy: -32.272
tors. eta vs tors. theta energy: -47.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -730.101793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.101793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.101793 (E_RNA)
where:
Base-Base interactions energy: -494.774
where: short stacking energy: -197.624
Base-Backbone interact. energy: -0.638
local terms energy: -234.689919
where:
bonds (distance) C4'-P energy: -52.353
bonds (distance) P-C4' energy: -51.359
flat angles C4'-P-C4' energy: -51.989
flat angles P-C4'-P energy: -31.428
tors. eta vs tors. theta energy: -47.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -700.887898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.887898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.887898 (E_RNA)
where:
Base-Base interactions energy: -488.829
where: short stacking energy: -193.787
Base-Backbone interact. energy: -1.070
local terms energy: -210.988042
where:
bonds (distance) C4'-P energy: -39.193
bonds (distance) P-C4' energy: -46.520
flat angles C4'-P-C4' energy: -54.260
flat angles P-C4'-P energy: -24.032
tors. eta vs tors. theta energy: -46.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -695.546212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.546212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.546212 (E_RNA)
where:
Base-Base interactions energy: -486.120
where: short stacking energy: -188.686
Base-Backbone interact. energy: -1.826
local terms energy: -207.599583
where:
bonds (distance) C4'-P energy: -40.560
bonds (distance) P-C4' energy: -43.397
flat angles C4'-P-C4' energy: -50.969
flat angles P-C4'-P energy: -27.736
tors. eta vs tors. theta energy: -44.937
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: 3
Temperature: 1.350000
Total energy: -664.347117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.347117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.347117 (E_RNA)
where:
Base-Base interactions energy: -463.665
where: short stacking energy: -186.716
Base-Backbone interact. energy: 0.488
local terms energy: -201.170115
where:
bonds (distance) C4'-P energy: -46.815
bonds (distance) P-C4' energy: -38.893
flat angles C4'-P-C4' energy: -36.034
flat angles P-C4'-P energy: -36.009
tors. eta vs tors. theta energy: -43.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -883.967694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.967694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.967694 (E_RNA)
where:
Base-Base interactions energy: -600.285
where: short stacking energy: -264.136
Base-Backbone interact. energy: -1.566
local terms energy: -282.116169
where:
bonds (distance) C4'-P energy: -46.202
bonds (distance) P-C4' energy: -59.914
flat angles C4'-P-C4' energy: -62.036
flat angles P-C4'-P energy: -43.590
tors. eta vs tors. theta energy: -70.374
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: 4
Temperature: 0.950000
Total energy: -851.356570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.356570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.356570 (E_RNA)
where:
Base-Base interactions energy: -580.436
where: short stacking energy: -246.572
Base-Backbone interact. energy: -1.520
local terms energy: -269.400203
where:
bonds (distance) C4'-P energy: -56.938
bonds (distance) P-C4' energy: -51.967
flat angles C4'-P-C4' energy: -60.069
flat angles P-C4'-P energy: -42.076
tors. eta vs tors. theta energy: -58.351
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: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -860.384419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.384419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.384419 (E_RNA)
where:
Base-Base interactions energy: -596.068
where: short stacking energy: -237.968
Base-Backbone interact. energy: -1.244
local terms energy: -263.072358
where:
bonds (distance) C4'-P energy: -59.763
bonds (distance) P-C4' energy: -46.806
flat angles C4'-P-C4' energy: -59.231
flat angles P-C4'-P energy: -36.111
tors. eta vs tors. theta energy: -61.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -787.808322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.808322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.808322 (E_RNA)
where:
Base-Base interactions energy: -554.629
where: short stacking energy: -214.901
Base-Backbone interact. energy: -1.564
local terms energy: -231.615260
where:
bonds (distance) C4'-P energy: -45.099
bonds (distance) P-C4' energy: -42.343
flat angles C4'-P-C4' energy: -51.220
flat angles P-C4'-P energy: -42.232
tors. eta vs tors. theta energy: -50.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -775.850723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.850723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.850723 (E_RNA)
where:
Base-Base interactions energy: -529.972
where: short stacking energy: -223.164
Base-Backbone interact. energy: -1.697
local terms energy: -244.181470
where:
bonds (distance) C4'-P energy: -41.579
bonds (distance) P-C4' energy: -52.964
flat angles C4'-P-C4' energy: -57.111
flat angles P-C4'-P energy: -36.721
tors. eta vs tors. theta energy: -55.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -750.069735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.069735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.069735 (E_RNA)
where:
Base-Base interactions energy: -511.824
where: short stacking energy: -203.729
Base-Backbone interact. energy: -1.011
local terms energy: -237.234415
where:
bonds (distance) C4'-P energy: -52.809
bonds (distance) P-C4' energy: -57.134
flat angles C4'-P-C4' energy: -53.190
flat angles P-C4'-P energy: -29.329
tors. eta vs tors. theta energy: -44.772
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: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -710.756584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.756584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.756584 (E_RNA)
where:
Base-Base interactions energy: -484.320
where: short stacking energy: -192.876
Base-Backbone interact. energy: 0.809
local terms energy: -227.245721
where:
bonds (distance) C4'-P energy: -44.438
bonds (distance) P-C4' energy: -40.122
flat angles C4'-P-C4' energy: -57.658
flat angles P-C4'-P energy: -39.733
tors. eta vs tors. theta energy: -45.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -710.665912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.665912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.665912 (E_RNA)
where:
Base-Base interactions energy: -488.571
where: short stacking energy: -200.655
Base-Backbone interact. energy: -1.954
local terms energy: -220.140769
where:
bonds (distance) C4'-P energy: -45.805
bonds (distance) P-C4' energy: -54.582
flat angles C4'-P-C4' energy: -43.405
flat angles P-C4'-P energy: -25.349
tors. eta vs tors. theta energy: -50.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -691.807323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.807323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.807323 (E_RNA)
where:
Base-Base interactions energy: -497.515
where: short stacking energy: -193.732
Base-Backbone interact. energy: 0.360
local terms energy: -194.652188
where:
bonds (distance) C4'-P energy: -37.584
bonds (distance) P-C4' energy: -36.275
flat angles C4'-P-C4' energy: -44.275
flat angles P-C4'-P energy: -30.846
tors. eta vs tors. theta energy: -45.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -699.891022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.891022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.891022 (E_RNA)
where:
Base-Base interactions energy: -480.947
where: short stacking energy: -194.826
Base-Backbone interact. energy: 0.194
local terms energy: -219.138317
where:
bonds (distance) C4'-P energy: -46.123
bonds (distance) P-C4' energy: -41.504
flat angles C4'-P-C4' energy: -49.786
flat angles P-C4'-P energy: -29.318
tors. eta vs tors. theta energy: -52.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -884.107843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.107843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.107843 (E_RNA)
where:
Base-Base interactions energy: -602.921
where: short stacking energy: -272.127
Base-Backbone interact. energy: 0.395
local terms energy: -281.582171
where:
bonds (distance) C4'-P energy: -40.492
bonds (distance) P-C4' energy: -63.800
flat angles C4'-P-C4' energy: -62.445
flat angles P-C4'-P energy: -41.846
tors. eta vs tors. theta energy: -73.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -861.033969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.033969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.033969 (E_RNA)
where:
Base-Base interactions energy: -586.394
where: short stacking energy: -244.940
Base-Backbone interact. energy: -3.065
local terms energy: -271.575068
where:
bonds (distance) C4'-P energy: -58.033
bonds (distance) P-C4' energy: -49.763
flat angles C4'-P-C4' energy: -60.676
flat angles P-C4'-P energy: -40.804
tors. eta vs tors. theta energy: -62.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -871.057631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.057631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.057631 (E_RNA)
where:
Base-Base interactions energy: -617.881
where: short stacking energy: -249.415
Base-Backbone interact. energy: -0.746
local terms energy: -252.430881
where:
bonds (distance) C4'-P energy: -46.889
bonds (distance) P-C4' energy: -50.710
flat angles C4'-P-C4' energy: -52.588
flat angles P-C4'-P energy: -43.024
tors. eta vs tors. theta energy: -59.220
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: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -775.644246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.644246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.644246 (E_RNA)
where:
Base-Base interactions energy: -532.282
where: short stacking energy: -213.615
Base-Backbone interact. energy: -0.752
local terms energy: -242.610689
where:
bonds (distance) C4'-P energy: -47.926
bonds (distance) P-C4' energy: -54.346
flat angles C4'-P-C4' energy: -47.966
flat angles P-C4'-P energy: -38.177
tors. eta vs tors. theta energy: -54.194
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: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -769.974362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.974362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.974362 (E_RNA)
where:
Base-Base interactions energy: -525.580
where: short stacking energy: -209.548
Base-Backbone interact. energy: -0.435
local terms energy: -243.958765
where:
bonds (distance) C4'-P energy: -47.175
bonds (distance) P-C4' energy: -49.653
flat angles C4'-P-C4' energy: -52.809
flat angles P-C4'-P energy: -39.612
tors. eta vs tors. theta energy: -54.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -714.957155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.957155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.957155 (E_RNA)
where:
Base-Base interactions energy: -486.862
where: short stacking energy: -196.752
Base-Backbone interact. energy: -1.398
local terms energy: -226.697231
where:
bonds (distance) C4'-P energy: -41.658
bonds (distance) P-C4' energy: -53.434
flat angles C4'-P-C4' energy: -51.824
flat angles P-C4'-P energy: -35.286
tors. eta vs tors. theta energy: -44.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -736.762463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.762463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.762463 (E_RNA)
where:
Base-Base interactions energy: -528.122
where: short stacking energy: -214.808
Base-Backbone interact. energy: -1.055
local terms energy: -207.585063
where:
bonds (distance) C4'-P energy: -43.704
bonds (distance) P-C4' energy: -37.936
flat angles C4'-P-C4' energy: -41.524
flat angles P-C4'-P energy: -27.223
tors. eta vs tors. theta energy: -57.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -720.324735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.324735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.324735 (E_RNA)
where:
Base-Base interactions energy: -503.814
where: short stacking energy: -206.038
Base-Backbone interact. energy: -1.058
local terms energy: -215.453122
where:
bonds (distance) C4'-P energy: -51.349
bonds (distance) P-C4' energy: -45.230
flat angles C4'-P-C4' energy: -42.576
flat angles P-C4'-P energy: -29.115
tors. eta vs tors. theta energy: -47.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -687.027861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.027861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.027861 (E_RNA)
where:
Base-Base interactions energy: -474.141
where: short stacking energy: -178.132
Base-Backbone interact. energy: -0.979
local terms energy: -211.908251
where:
bonds (distance) C4'-P energy: -45.267
bonds (distance) P-C4' energy: -53.590
flat angles C4'-P-C4' energy: -27.951
flat angles P-C4'-P energy: -37.160
tors. eta vs tors. theta energy: -47.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -657.423274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.423274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.423274 (E_RNA)
where:
Base-Base interactions energy: -450.800
where: short stacking energy: -178.570
Base-Backbone interact. energy: 1.594
local terms energy: -208.217069
where:
bonds (distance) C4'-P energy: -38.571
bonds (distance) P-C4' energy: -41.096
flat angles C4'-P-C4' energy: -47.573
flat angles P-C4'-P energy: -29.065
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: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -865.607787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.607787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.607787 (E_RNA)
where:
Base-Base interactions energy: -590.138
where: short stacking energy: -262.991
Base-Backbone interact. energy: -1.361
local terms energy: -274.108889
where:
bonds (distance) C4'-P energy: -54.431
bonds (distance) P-C4' energy: -51.996
flat angles C4'-P-C4' energy: -57.510
flat angles P-C4'-P energy: -41.587
tors. eta vs tors. theta energy: -68.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -862.896903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.896903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.896903 (E_RNA)
where:
Base-Base interactions energy: -600.661
where: short stacking energy: -246.737
Base-Backbone interact. energy: -1.478
local terms energy: -260.758569
where:
bonds (distance) C4'-P energy: -53.437
bonds (distance) P-C4' energy: -45.822
flat angles C4'-P-C4' energy: -56.690
flat angles P-C4'-P energy: -42.567
tors. eta vs tors. theta energy: -62.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -838.350600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.350600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.350600 (E_RNA)
where:
Base-Base interactions energy: -584.081
where: short stacking energy: -256.059
Base-Backbone interact. energy: 2.263
local terms energy: -256.532427
where:
bonds (distance) C4'-P energy: -50.464
bonds (distance) P-C4' energy: -39.992
flat angles C4'-P-C4' energy: -58.222
flat angles P-C4'-P energy: -42.993
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: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -855.467081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.467081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.467081 (E_RNA)
where:
Base-Base interactions energy: -590.599
where: short stacking energy: -239.080
Base-Backbone interact. energy: 0.525
local terms energy: -265.393399
where:
bonds (distance) C4'-P energy: -50.169
bonds (distance) P-C4' energy: -54.217
flat angles C4'-P-C4' energy: -61.906
flat angles P-C4'-P energy: -37.191
tors. eta vs tors. theta energy: -61.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -792.546328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.546328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.546328 (E_RNA)
where:
Base-Base interactions energy: -558.914
where: short stacking energy: -212.101
Base-Backbone interact. energy: -0.562
local terms energy: -233.070730
where:
bonds (distance) C4'-P energy: -51.303
bonds (distance) P-C4' energy: -46.045
flat angles C4'-P-C4' energy: -52.233
flat angles P-C4'-P energy: -30.433
tors. eta vs tors. theta energy: -53.056
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: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -726.317951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.317951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.317951 (E_RNA)
where:
Base-Base interactions energy: -490.061
where: short stacking energy: -211.174
Base-Backbone interact. energy: -0.369
local terms energy: -235.888211
where:
bonds (distance) C4'-P energy: -45.375
bonds (distance) P-C4' energy: -53.156
flat angles C4'-P-C4' energy: -52.971
flat angles P-C4'-P energy: -31.389
tors. eta vs tors. theta energy: -52.997
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: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -699.366936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.366936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.366936 (E_RNA)
where:
Base-Base interactions energy: -483.901
where: short stacking energy: -192.901
Base-Backbone interact. energy: -0.063
local terms energy: -215.403481
where:
bonds (distance) C4'-P energy: -35.180
bonds (distance) P-C4' energy: -50.607
flat angles C4'-P-C4' energy: -53.655
flat angles P-C4'-P energy: -26.905
tors. eta vs tors. theta energy: -49.056
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: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -686.618214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.618214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.618214 (E_RNA)
where:
Base-Base interactions energy: -476.286
where: short stacking energy: -193.209
Base-Backbone interact. energy: 1.384
local terms energy: -211.715760
where:
bonds (distance) C4'-P energy: -44.675
bonds (distance) P-C4' energy: -44.387
flat angles C4'-P-C4' energy: -43.761
flat angles P-C4'-P energy: -30.580
tors. eta vs tors. theta energy: -48.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -667.880115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.880115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.880115 (E_RNA)
where:
Base-Base interactions energy: -473.278
where: short stacking energy: -194.499
Base-Backbone interact. energy: -1.280
local terms energy: -193.322633
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -48.740
flat angles C4'-P-C4' energy: -39.253
flat angles P-C4'-P energy: -26.155
tors. eta vs tors. theta energy: -49.861
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: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -654.444202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.444202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.444202 (E_RNA)
where:
Base-Base interactions energy: -447.723
where: short stacking energy: -180.288
Base-Backbone interact. energy: 1.087
local terms energy: -207.808262
where:
bonds (distance) C4'-P energy: -47.926
bonds (distance) P-C4' energy: -46.690
flat angles C4'-P-C4' energy: -32.184
flat angles P-C4'-P energy: -33.320
tors. eta vs tors. theta energy: -47.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -854.932916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.932916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.932916 (E_RNA)
where:
Base-Base interactions energy: -592.152
where: short stacking energy: -258.774
Base-Backbone interact. energy: 0.715
local terms energy: -263.495104
where:
bonds (distance) C4'-P energy: -50.026
bonds (distance) P-C4' energy: -49.957
flat angles C4'-P-C4' energy: -60.144
flat angles P-C4'-P energy: -46.246
tors. eta vs tors. theta energy: -57.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -848.888471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.888471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.888471 (E_RNA)
where:
Base-Base interactions energy: -570.934
where: short stacking energy: -258.323
Base-Backbone interact. energy: -0.644
local terms energy: -277.310122
where:
bonds (distance) C4'-P energy: -48.918
bonds (distance) P-C4' energy: -57.960
flat angles C4'-P-C4' energy: -55.826
flat angles P-C4'-P energy: -42.920
tors. eta vs tors. theta energy: -71.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -821.543393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.543393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.543393 (E_RNA)
where:
Base-Base interactions energy: -553.615
where: short stacking energy: -237.409
Base-Backbone interact. energy: -0.125
local terms energy: -267.803925
where:
bonds (distance) C4'-P energy: -50.612
bonds (distance) P-C4' energy: -51.580
flat angles C4'-P-C4' energy: -63.896
flat angles P-C4'-P energy: -35.125
tors. eta vs tors. theta energy: -66.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -817.189559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.189559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.189559 (E_RNA)
where:
Base-Base interactions energy: -573.836
where: short stacking energy: -237.041
Base-Backbone interact. energy: -1.571
local terms energy: -241.781919
where:
bonds (distance) C4'-P energy: -52.465
bonds (distance) P-C4' energy: -37.474
flat angles C4'-P-C4' energy: -60.660
flat angles P-C4'-P energy: -33.638
tors. eta vs tors. theta energy: -57.545
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: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -817.096823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.096823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.096823 (E_RNA)
where:
Base-Base interactions energy: -588.115
where: short stacking energy: -241.207
Base-Backbone interact. energy: 1.793
local terms energy: -230.775021
where:
bonds (distance) C4'-P energy: -40.785
bonds (distance) P-C4' energy: -51.771
flat angles C4'-P-C4' energy: -48.781
flat angles P-C4'-P energy: -33.898
tors. eta vs tors. theta energy: -55.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -741.528650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.528650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.528650 (E_RNA)
where:
Base-Base interactions energy: -502.253
where: short stacking energy: -220.756
Base-Backbone interact. energy: -0.325
local terms energy: -238.950601
where:
bonds (distance) C4'-P energy: -44.854
bonds (distance) P-C4' energy: -43.517
flat angles C4'-P-C4' energy: -58.819
flat angles P-C4'-P energy: -35.244
tors. eta vs tors. theta energy: -56.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -730.595431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.595431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.595431 (E_RNA)
where:
Base-Base interactions energy: -535.271
where: short stacking energy: -208.393
Base-Backbone interact. energy: -0.174
local terms energy: -195.150300
where:
bonds (distance) C4'-P energy: -42.502
bonds (distance) P-C4' energy: -28.394
flat angles C4'-P-C4' energy: -43.680
flat angles P-C4'-P energy: -27.797
tors. eta vs tors. theta energy: -52.777
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: 6
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -712.367810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.367810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.367810 (E_RNA)
where:
Base-Base interactions energy: -489.637
where: short stacking energy: -189.920
Base-Backbone interact. energy: -1.595
local terms energy: -221.135173
where:
bonds (distance) C4'-P energy: -38.771
bonds (distance) P-C4' energy: -36.021
flat angles C4'-P-C4' energy: -57.449
flat angles P-C4'-P energy: -33.102
tors. eta vs tors. theta energy: -55.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -675.039597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.039597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.039597 (E_RNA)
where:
Base-Base interactions energy: -485.739
where: short stacking energy: -188.953
Base-Backbone interact. energy: 1.301
local terms energy: -190.601329
where:
bonds (distance) C4'-P energy: -34.158
bonds (distance) P-C4' energy: -42.123
flat angles C4'-P-C4' energy: -44.791
flat angles P-C4'-P energy: -31.440
tors. eta vs tors. theta energy: -38.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -668.052177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.052177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.052177 (E_RNA)
where:
Base-Base interactions energy: -460.551
where: short stacking energy: -199.741
Base-Backbone interact. energy: 2.483
local terms energy: -209.983499
where:
bonds (distance) C4'-P energy: -40.863
bonds (distance) P-C4' energy: -55.667
flat angles C4'-P-C4' energy: -54.353
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -44.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -857.889538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.889538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.889538 (E_RNA)
where:
Base-Base interactions energy: -593.446
where: short stacking energy: -253.846
Base-Backbone interact. energy: -0.750
local terms energy: -263.693319
where:
bonds (distance) C4'-P energy: -51.215
bonds (distance) P-C4' energy: -45.594
flat angles C4'-P-C4' energy: -60.207
flat angles P-C4'-P energy: -45.054
tors. eta vs tors. theta energy: -61.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -851.067334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.067334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.067334 (E_RNA)
where:
Base-Base interactions energy: -587.235
where: short stacking energy: -246.522
Base-Backbone interact. energy: -0.168
local terms energy: -263.664941
where:
bonds (distance) C4'-P energy: -50.683
bonds (distance) P-C4' energy: -47.114
flat angles C4'-P-C4' energy: -63.125
flat angles P-C4'-P energy: -38.106
tors. eta vs tors. theta energy: -64.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -834.395287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.395287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.395287 (E_RNA)
where:
Base-Base interactions energy: -569.556
where: short stacking energy: -246.583
Base-Backbone interact. energy: -1.243
local terms energy: -263.595985
where:
bonds (distance) C4'-P energy: -45.576
bonds (distance) P-C4' energy: -57.327
flat angles C4'-P-C4' energy: -56.273
flat angles P-C4'-P energy: -40.428
tors. eta vs tors. theta energy: -63.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -787.699234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.699234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.699234 (E_RNA)
where:
Base-Base interactions energy: -550.590
where: short stacking energy: -220.257
Base-Backbone interact. energy: 1.096
local terms energy: -238.205597
where:
bonds (distance) C4'-P energy: -43.910
bonds (distance) P-C4' energy: -50.125
flat angles C4'-P-C4' energy: -58.735
flat angles P-C4'-P energy: -33.430
tors. eta vs tors. theta energy: -52.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -812.636286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.636286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.636286 (E_RNA)
where:
Base-Base interactions energy: -587.206
where: short stacking energy: -224.960
Base-Backbone interact. energy: -0.607
local terms energy: -224.823619
where:
bonds (distance) C4'-P energy: -43.195
bonds (distance) P-C4' energy: -32.851
flat angles C4'-P-C4' energy: -52.015
flat angles P-C4'-P energy: -41.010
tors. eta vs tors. theta energy: -55.753
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: 6, replica: 9
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -739.333972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.333972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.333972 (E_RNA)
where:
Base-Base interactions energy: -528.954
where: short stacking energy: -204.471
Base-Backbone interact. energy: -0.591
local terms energy: -209.788718
where:
bonds (distance) C4'-P energy: -38.692
bonds (distance) P-C4' energy: -40.049
flat angles C4'-P-C4' energy: -54.562
flat angles P-C4'-P energy: -23.477
tors. eta vs tors. theta energy: -53.009
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: 5
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -729.999714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.999714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.999714 (E_RNA)
where:
Base-Base interactions energy: -501.460
where: short stacking energy: -212.216
Base-Backbone interact. energy: -1.963
local terms energy: -226.577033
where:
bonds (distance) C4'-P energy: -39.871
bonds (distance) P-C4' energy: -46.166
flat angles C4'-P-C4' energy: -50.994
flat angles P-C4'-P energy: -32.892
tors. eta vs tors. theta energy: -56.654
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: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -722.590122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.590122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.590122 (E_RNA)
where:
Base-Base interactions energy: -509.130
where: short stacking energy: -200.127
Base-Backbone interact. energy: 1.654
local terms energy: -215.114260
where:
bonds (distance) C4'-P energy: -39.489
bonds (distance) P-C4' energy: -48.997
flat angles C4'-P-C4' energy: -51.631
flat angles P-C4'-P energy: -28.355
tors. eta vs tors. theta energy: -46.643
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: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -688.251814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.251814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.251814 (E_RNA)
where:
Base-Base interactions energy: -463.068
where: short stacking energy: -192.215
Base-Backbone interact. energy: 4.663
local terms energy: -229.846713
where:
bonds (distance) C4'-P energy: -52.861
bonds (distance) P-C4' energy: -36.882
flat angles C4'-P-C4' energy: -52.700
flat angles P-C4'-P energy: -28.388
tors. eta vs tors. theta energy: -59.015
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: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -645.294601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.294601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.294601 (E_RNA)
where:
Base-Base interactions energy: -472.976
where: short stacking energy: -188.363
Base-Backbone interact. energy: -0.986
local terms energy: -171.332480
where:
bonds (distance) C4'-P energy: -29.324
bonds (distance) P-C4' energy: -44.367
flat angles C4'-P-C4' energy: -41.916
flat angles P-C4'-P energy: -20.938
tors. eta vs tors. theta energy: -34.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -866.150979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.150979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.150979 (E_RNA)
where:
Base-Base interactions energy: -590.088
where: short stacking energy: -257.819
Base-Backbone interact. energy: -0.775
local terms energy: -275.288228
where:
bonds (distance) C4'-P energy: -46.075
bonds (distance) P-C4' energy: -57.563
flat angles C4'-P-C4' energy: -62.575
flat angles P-C4'-P energy: -42.988
tors. eta vs tors. theta energy: -66.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -868.292887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.292887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.292887 (E_RNA)
where:
Base-Base interactions energy: -595.342
where: short stacking energy: -243.786
Base-Backbone interact. energy: -0.963
local terms energy: -271.988553
where:
bonds (distance) C4'-P energy: -51.510
bonds (distance) P-C4' energy: -55.058
flat angles C4'-P-C4' energy: -58.966
flat angles P-C4'-P energy: -39.546
tors. eta vs tors. theta energy: -66.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -816.812292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.812292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.812292 (E_RNA)
where:
Base-Base interactions energy: -554.029
where: short stacking energy: -225.226
Base-Backbone interact. energy: -0.724
local terms energy: -262.059038
where:
bonds (distance) C4'-P energy: -52.075
bonds (distance) P-C4' energy: -51.786
flat angles C4'-P-C4' energy: -60.533
flat angles P-C4'-P energy: -37.563
tors. eta vs tors. theta energy: -60.102
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: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -814.994992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.994992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.994992 (E_RNA)
where:
Base-Base interactions energy: -567.812
where: short stacking energy: -224.280
Base-Backbone interact. energy: -2.836
local terms energy: -244.346282
where:
bonds (distance) C4'-P energy: -44.924
bonds (distance) P-C4' energy: -46.362
flat angles C4'-P-C4' energy: -56.678
flat angles P-C4'-P energy: -40.429
tors. eta vs tors. theta energy: -55.953
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: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -768.937335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.937335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.937335 (E_RNA)
where:
Base-Base interactions energy: -541.449
where: short stacking energy: -216.333
Base-Backbone interact. energy: -0.870
local terms energy: -226.617654
where:
bonds (distance) C4'-P energy: -46.622
bonds (distance) P-C4' energy: -44.160
flat angles C4'-P-C4' energy: -51.802
flat angles P-C4'-P energy: -34.674
tors. eta vs tors. theta energy: -49.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -764.350209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.350209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.350209 (E_RNA)
where:
Base-Base interactions energy: -524.797
where: short stacking energy: -233.239
Base-Backbone interact. energy: -1.269
local terms energy: -238.284528
where:
bonds (distance) C4'-P energy: -47.454
bonds (distance) P-C4' energy: -50.582
flat angles C4'-P-C4' energy: -48.477
flat angles P-C4'-P energy: -30.627
tors. eta vs tors. theta energy: -61.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -709.949371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.949371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.949371 (E_RNA)
where:
Base-Base interactions energy: -492.520
where: short stacking energy: -193.627
Base-Backbone interact. energy: 3.706
local terms energy: -221.135916
where:
bonds (distance) C4'-P energy: -50.913
bonds (distance) P-C4' energy: -41.768
flat angles C4'-P-C4' energy: -48.444
flat angles P-C4'-P energy: -36.810
tors. eta vs tors. theta energy: -43.201
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: 9
Temperature: 1.250000
Total energy: -708.224309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.224309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.224309 (E_RNA)
where:
Base-Base interactions energy: -480.451
where: short stacking energy: -200.660
Base-Backbone interact. energy: -1.282
local terms energy: -226.491194
where:
bonds (distance) C4'-P energy: -47.558
bonds (distance) P-C4' energy: -40.380
flat angles C4'-P-C4' energy: -52.839
flat angles P-C4'-P energy: -29.910
tors. eta vs tors. theta energy: -55.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -702.038088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.038088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.038088 (E_RNA)
where:
Base-Base interactions energy: -497.121
where: short stacking energy: -201.406
Base-Backbone interact. energy: 1.216
local terms energy: -206.133017
where:
bonds (distance) C4'-P energy: -35.652
bonds (distance) P-C4' energy: -38.910
flat angles C4'-P-C4' energy: -40.044
flat angles P-C4'-P energy: -42.605
tors. eta vs tors. theta energy: -48.921
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: 9
Temperature: 1.350000
Total energy: -620.369339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.369339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.369339 (E_RNA)
where:
Base-Base interactions energy: -412.375
where: short stacking energy: -166.849
Base-Backbone interact. energy: -0.441
local terms energy: -207.552961
where:
bonds (distance) C4'-P energy: -41.536
bonds (distance) P-C4' energy: -36.697
flat angles C4'-P-C4' energy: -46.970
flat angles P-C4'-P energy: -34.962
tors. eta vs tors. theta energy: -47.388
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: 10
Temperature: 0.900000
Total energy: -867.048526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.048526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.048526 (E_RNA)
where:
Base-Base interactions energy: -600.554
where: short stacking energy: -258.579
Base-Backbone interact. energy: -1.286
local terms energy: -265.208075
where:
bonds (distance) C4'-P energy: -54.272
bonds (distance) P-C4' energy: -55.364
flat angles C4'-P-C4' energy: -57.614
flat angles P-C4'-P energy: -35.979
tors. eta vs tors. theta energy: -61.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -858.385177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.385177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.385177 (E_RNA)
where:
Base-Base interactions energy: -591.657
where: short stacking energy: -235.449
Base-Backbone interact. energy: -1.081
local terms energy: -265.647123
where:
bonds (distance) C4'-P energy: -57.529
bonds (distance) P-C4' energy: -54.248
flat angles C4'-P-C4' energy: -55.834
flat angles P-C4'-P energy: -41.635
tors. eta vs tors. theta energy: -56.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -874.947691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.947691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.947691 (E_RNA)
where:
Base-Base interactions energy: -605.975
where: short stacking energy: -261.580
Base-Backbone interact. energy: -0.740
local terms energy: -268.232232
where:
bonds (distance) C4'-P energy: -43.664
bonds (distance) P-C4' energy: -51.848
flat angles C4'-P-C4' energy: -59.845
flat angles P-C4'-P energy: -37.639
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: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -807.374963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.374963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.374963 (E_RNA)
where:
Base-Base interactions energy: -555.285
where: short stacking energy: -220.785
Base-Backbone interact. energy: -0.322
local terms energy: -251.767895
where:
bonds (distance) C4'-P energy: -49.210
bonds (distance) P-C4' energy: -51.392
flat angles C4'-P-C4' energy: -57.129
flat angles P-C4'-P energy: -36.522
tors. eta vs tors. theta energy: -57.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -788.589764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.589764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.589764 (E_RNA)
where:
Base-Base interactions energy: -545.096
where: short stacking energy: -239.899
Base-Backbone interact. energy: -0.570
local terms energy: -242.923236
where:
bonds (distance) C4'-P energy: -43.656
bonds (distance) P-C4' energy: -41.220
flat angles C4'-P-C4' energy: -55.657
flat angles P-C4'-P energy: -38.896
tors. eta vs tors. theta energy: -63.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -766.478759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.478759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.478759 (E_RNA)
where:
Base-Base interactions energy: -533.601
where: short stacking energy: -210.917
Base-Backbone interact. energy: -0.970
local terms energy: -231.908013
where:
bonds (distance) C4'-P energy: -51.870
bonds (distance) P-C4' energy: -51.035
flat angles C4'-P-C4' energy: -51.172
flat angles P-C4'-P energy: -31.327
tors. eta vs tors. theta energy: -46.505
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: 10
Temperature: 1.200000
Total energy: -714.435400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.435400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.435400 (E_RNA)
where:
Base-Base interactions energy: -506.090
where: short stacking energy: -195.077
Base-Backbone interact. energy: 0.998
local terms energy: -209.343167
where:
bonds (distance) C4'-P energy: -42.015
bonds (distance) P-C4' energy: -39.227
flat angles C4'-P-C4' energy: -56.008
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: -55.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -732.282689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.282689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.282689 (E_RNA)
where:
Base-Base interactions energy: -503.453
where: short stacking energy: -191.864
Base-Backbone interact. energy: 0.544
local terms energy: -229.373703
where:
bonds (distance) C4'-P energy: -39.048
bonds (distance) P-C4' energy: -46.654
flat angles C4'-P-C4' energy: -53.232
flat angles P-C4'-P energy: -38.043
tors. eta vs tors. theta energy: -52.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -726.636277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.636277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.636277 (E_RNA)
where:
Base-Base interactions energy: -499.019
where: short stacking energy: -203.223
Base-Backbone interact. energy: -0.032
local terms energy: -227.585028
where:
bonds (distance) C4'-P energy: -43.932
bonds (distance) P-C4' energy: -50.995
flat angles C4'-P-C4' energy: -43.408
flat angles P-C4'-P energy: -29.126
tors. eta vs tors. theta energy: -60.124
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: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -531.879750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.879750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.879750 (E_RNA)
where:
Base-Base interactions energy: -351.368
where: short stacking energy: -143.794
Base-Backbone interact. energy: -1.855
local terms energy: -178.656181
where:
bonds (distance) C4'-P energy: -37.875
bonds (distance) P-C4' energy: -39.471
flat angles C4'-P-C4' energy: -43.603
flat angles P-C4'-P energy: -32.008
tors. eta vs tors. theta energy: -25.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -861.437029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.437029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.437029 (E_RNA)
where:
Base-Base interactions energy: -589.068
where: short stacking energy: -258.081
Base-Backbone interact. energy: -0.859
local terms energy: -271.510365
where:
bonds (distance) C4'-P energy: -48.576
bonds (distance) P-C4' energy: -58.944
flat angles C4'-P-C4' energy: -64.814
flat angles P-C4'-P energy: -31.034
tors. eta vs tors. theta energy: -68.143
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: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -895.698211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.698211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.698211 (E_RNA)
where:
Base-Base interactions energy: -609.251
where: short stacking energy: -259.201
Base-Backbone interact. energy: -0.580
local terms energy: -285.867837
where:
bonds (distance) C4'-P energy: -55.676
bonds (distance) P-C4' energy: -55.032
flat angles C4'-P-C4' energy: -60.326
flat angles P-C4'-P energy: -43.750
tors. eta vs tors. theta energy: -71.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -853.919248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.919248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.919248 (E_RNA)
where:
Base-Base interactions energy: -620.564
where: short stacking energy: -243.290
Base-Backbone interact. energy: -0.640
local terms energy: -232.715153
where:
bonds (distance) C4'-P energy: -36.782
bonds (distance) P-C4' energy: -52.058
flat angles C4'-P-C4' energy: -58.125
flat angles P-C4'-P energy: -31.771
tors. eta vs tors. theta energy: -53.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -813.205774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.205774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.205774 (E_RNA)
where:
Base-Base interactions energy: -585.122
where: short stacking energy: -233.114
Base-Backbone interact. energy: -0.734
local terms energy: -227.349744
where:
bonds (distance) C4'-P energy: -40.507
bonds (distance) P-C4' energy: -39.482
flat angles C4'-P-C4' energy: -53.429
flat angles P-C4'-P energy: -35.628
tors. eta vs tors. theta energy: -58.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -794.952370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.952370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.952370 (E_RNA)
where:
Base-Base interactions energy: -556.035
where: short stacking energy: -222.428
Base-Backbone interact. energy: -0.338
local terms energy: -238.579154
where:
bonds (distance) C4'-P energy: -45.965
bonds (distance) P-C4' energy: -46.809
flat angles C4'-P-C4' energy: -57.896
flat angles P-C4'-P energy: -35.524
tors. eta vs tors. theta energy: -52.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -754.080973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.080973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.080973 (E_RNA)
where:
Base-Base interactions energy: -517.687
where: short stacking energy: -186.095
Base-Backbone interact. energy: -1.468
local terms energy: -234.925861
where:
bonds (distance) C4'-P energy: -50.591
bonds (distance) P-C4' energy: -51.693
flat angles C4'-P-C4' energy: -58.307
flat angles P-C4'-P energy: -21.421
tors. eta vs tors. theta energy: -52.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -743.130893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.130893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.130893 (E_RNA)
where:
Base-Base interactions energy: -515.266
where: short stacking energy: -199.169
Base-Backbone interact. energy: 2.326
local terms energy: -230.190846
where:
bonds (distance) C4'-P energy: -48.756
bonds (distance) P-C4' energy: -47.631
flat angles C4'-P-C4' energy: -52.602
flat angles P-C4'-P energy: -36.147
tors. eta vs tors. theta energy: -45.054
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: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -707.389207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.389207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.389207 (E_RNA)
where:
Base-Base interactions energy: -507.068
where: short stacking energy: -189.488
Base-Backbone interact. energy: -1.697
local terms energy: -198.624379
where:
bonds (distance) C4'-P energy: -40.283
bonds (distance) P-C4' energy: -29.413
flat angles C4'-P-C4' energy: -46.564
flat angles P-C4'-P energy: -37.111
tors. eta vs tors. theta energy: -45.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -690.035268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.035268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.035268 (E_RNA)
where:
Base-Base interactions energy: -476.739
where: short stacking energy: -197.756
Base-Backbone interact. energy: -0.399
local terms energy: -212.897416
where:
bonds (distance) C4'-P energy: -37.564
bonds (distance) P-C4' energy: -39.555
flat angles C4'-P-C4' energy: -43.906
flat angles P-C4'-P energy: -40.392
tors. eta vs tors. theta energy: -51.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -572.273493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.273493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.273493 (E_RNA)
where:
Base-Base interactions energy: -393.368
where: short stacking energy: -166.384
Base-Backbone interact. energy: -0.040
local terms energy: -178.865355
where:
bonds (distance) C4'-P energy: -39.872
bonds (distance) P-C4' energy: -45.581
flat angles C4'-P-C4' energy: -32.624
flat angles P-C4'-P energy: -31.210
tors. eta vs tors. theta energy: -29.579
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: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -919.395953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.395953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.395953 (E_RNA)
where:
Base-Base interactions energy: -633.307
where: short stacking energy: -272.053
Base-Backbone interact. energy: -1.836
local terms energy: -284.252225
where:
bonds (distance) C4'-P energy: -48.751
bonds (distance) P-C4' energy: -52.901
flat angles C4'-P-C4' energy: -64.998
flat angles P-C4'-P energy: -45.656
tors. eta vs tors. theta energy: -71.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -840.067516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.067516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.067516 (E_RNA)
where:
Base-Base interactions energy: -577.912
where: short stacking energy: -242.003
Base-Backbone interact. energy: -2.295
local terms energy: -259.860215
where:
bonds (distance) C4'-P energy: -51.438
bonds (distance) P-C4' energy: -54.263
flat angles C4'-P-C4' energy: -60.100
flat angles P-C4'-P energy: -31.768
tors. eta vs tors. theta energy: -62.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -815.179500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.179500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.179500 (E_RNA)
where:
Base-Base interactions energy: -579.226
where: short stacking energy: -224.346
Base-Backbone interact. energy: -0.755
local terms energy: -235.198113
where:
bonds (distance) C4'-P energy: -50.059
bonds (distance) P-C4' energy: -47.372
flat angles C4'-P-C4' energy: -54.417
flat angles P-C4'-P energy: -35.445
tors. eta vs tors. theta energy: -47.905
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: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -857.468673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.468673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.468673 (E_RNA)
where:
Base-Base interactions energy: -616.109
where: short stacking energy: -246.922
Base-Backbone interact. energy: -2.287
local terms energy: -239.072988
where:
bonds (distance) C4'-P energy: -42.727
bonds (distance) P-C4' energy: -46.819
flat angles C4'-P-C4' energy: -50.595
flat angles P-C4'-P energy: -34.679
tors. eta vs tors. theta energy: -64.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -807.942264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.942264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.942264 (E_RNA)
where:
Base-Base interactions energy: -561.399
where: short stacking energy: -232.789
Base-Backbone interact. energy: -1.115
local terms energy: -245.428001
where:
bonds (distance) C4'-P energy: -53.171
bonds (distance) P-C4' energy: -49.538
flat angles C4'-P-C4' energy: -52.345
flat angles P-C4'-P energy: -28.430
tors. eta vs tors. theta energy: -61.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -722.846497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.846497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.846497 (E_RNA)
where:
Base-Base interactions energy: -507.466
where: short stacking energy: -197.632
Base-Backbone interact. energy: -1.251
local terms energy: -214.128970
where:
bonds (distance) C4'-P energy: -48.164
bonds (distance) P-C4' energy: -34.018
flat angles C4'-P-C4' energy: -52.057
flat angles P-C4'-P energy: -37.439
tors. eta vs tors. theta energy: -42.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -718.481595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.481595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.481595 (E_RNA)
where:
Base-Base interactions energy: -493.954
where: short stacking energy: -194.018
Base-Backbone interact. energy: -1.902
local terms energy: -222.625846
where:
bonds (distance) C4'-P energy: -49.645
bonds (distance) P-C4' energy: -33.955
flat angles C4'-P-C4' energy: -60.230
flat angles P-C4'-P energy: -26.852
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: 8, replica: 5
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -681.966710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.966710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.966710 (E_RNA)
where:
Base-Base interactions energy: -462.291
where: short stacking energy: -184.425
Base-Backbone interact. energy: -1.203
local terms energy: -218.472648
where:
bonds (distance) C4'-P energy: -37.256
bonds (distance) P-C4' energy: -52.244
flat angles C4'-P-C4' energy: -50.189
flat angles P-C4'-P energy: -30.242
tors. eta vs tors. theta energy: -48.541
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: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -595.638976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.638976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.638976 (E_RNA)
where:
Base-Base interactions energy: -411.375
where: short stacking energy: -167.066
Base-Backbone interact. energy: -0.640
local terms energy: -183.623420
where:
bonds (distance) C4'-P energy: -41.075
bonds (distance) P-C4' energy: -38.755
flat angles C4'-P-C4' energy: -43.719
flat angles P-C4'-P energy: -18.116
tors. eta vs tors. theta energy: -41.958
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: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -641.510854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.510854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.510854 (E_RNA)
where:
Base-Base interactions energy: -457.276
where: short stacking energy: -182.023
Base-Backbone interact. energy: -1.072
local terms energy: -183.162701
where:
bonds (distance) C4'-P energy: -42.887
bonds (distance) P-C4' energy: -45.309
flat angles C4'-P-C4' energy: -38.552
flat angles P-C4'-P energy: -24.994
tors. eta vs tors. theta energy: -31.422
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: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -914.063060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.063060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.063060 (E_RNA)
where:
Base-Base interactions energy: -638.428
where: short stacking energy: -263.706
Base-Backbone interact. energy: -0.270
local terms energy: -275.364844
where:
bonds (distance) C4'-P energy: -51.839
bonds (distance) P-C4' energy: -56.189
flat angles C4'-P-C4' energy: -58.246
flat angles P-C4'-P energy: -37.221
tors. eta vs tors. theta energy: -71.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -844.365909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.365909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.365909 (E_RNA)
where:
Base-Base interactions energy: -580.958
where: short stacking energy: -226.929
Base-Backbone interact. energy: -0.687
local terms energy: -262.720233
where:
bonds (distance) C4'-P energy: -48.420
bonds (distance) P-C4' energy: -54.324
flat angles C4'-P-C4' energy: -60.187
flat angles P-C4'-P energy: -46.371
tors. eta vs tors. theta energy: -53.419
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: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -843.242212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.242212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.242212 (E_RNA)
where:
Base-Base interactions energy: -600.213
where: short stacking energy: -237.855
Base-Backbone interact. energy: -1.151
local terms energy: -241.878361
where:
bonds (distance) C4'-P energy: -48.995
bonds (distance) P-C4' energy: -44.173
flat angles C4'-P-C4' energy: -49.983
flat angles P-C4'-P energy: -33.716
tors. eta vs tors. theta energy: -65.011
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: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -853.900479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.900479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.900479 (E_RNA)
where:
Base-Base interactions energy: -610.725
where: short stacking energy: -234.255
Base-Backbone interact. energy: -1.771
local terms energy: -241.404503
where:
bonds (distance) C4'-P energy: -50.198
bonds (distance) P-C4' energy: -49.402
flat angles C4'-P-C4' energy: -58.090
flat angles P-C4'-P energy: -28.528
tors. eta vs tors. theta energy: -55.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -840.860069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.860069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.860069 (E_RNA)
where:
Base-Base interactions energy: -583.864
where: short stacking energy: -242.141
Base-Backbone interact. energy: -0.614
local terms energy: -256.382026
where:
bonds (distance) C4'-P energy: -44.757
bonds (distance) P-C4' energy: -49.977
flat angles C4'-P-C4' energy: -60.032
flat angles P-C4'-P energy: -34.014
tors. eta vs tors. theta energy: -67.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -772.363944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.363944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.363944 (E_RNA)
where:
Base-Base interactions energy: -535.743
where: short stacking energy: -206.593
Base-Backbone interact. energy: -1.767
local terms energy: -234.854146
where:
bonds (distance) C4'-P energy: -46.929
bonds (distance) P-C4' energy: -45.899
flat angles C4'-P-C4' energy: -47.528
flat angles P-C4'-P energy: -42.096
tors. eta vs tors. theta energy: -52.403
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: 2
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -726.684712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.684712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.684712 (E_RNA)
where:
Base-Base interactions energy: -507.294
where: short stacking energy: -197.211
Base-Backbone interact. energy: -0.614
local terms energy: -218.776751
where:
bonds (distance) C4'-P energy: -47.348
bonds (distance) P-C4' energy: -45.634
flat angles C4'-P-C4' energy: -46.683
flat angles P-C4'-P energy: -26.117
tors. eta vs tors. theta energy: -52.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -692.258626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.258626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.258626 (E_RNA)
where:
Base-Base interactions energy: -478.116
where: short stacking energy: -188.717
Base-Backbone interact. energy: -0.394
local terms energy: -213.748341
where:
bonds (distance) C4'-P energy: -35.170
bonds (distance) P-C4' energy: -55.794
flat angles C4'-P-C4' energy: -44.267
flat angles P-C4'-P energy: -32.672
tors. eta vs tors. theta energy: -45.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -610.158073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.158073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.158073 (E_RNA)
where:
Base-Base interactions energy: -427.956
where: short stacking energy: -166.636
Base-Backbone interact. energy: -1.329
local terms energy: -180.873057
where:
bonds (distance) C4'-P energy: -35.505
bonds (distance) P-C4' energy: -32.563
flat angles C4'-P-C4' energy: -50.559
flat angles P-C4'-P energy: -23.402
tors. eta vs tors. theta energy: -38.844
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: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -620.456608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.456608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.456608 (E_RNA)
where:
Base-Base interactions energy: -417.468
where: short stacking energy: -184.464
Base-Backbone interact. energy: -0.480
local terms energy: -202.508599
where:
bonds (distance) C4'-P energy: -24.068
bonds (distance) P-C4' energy: -37.683
flat angles C4'-P-C4' energy: -56.256
flat angles P-C4'-P energy: -34.426
tors. eta vs tors. theta energy: -50.076
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: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -903.042297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.042297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.042297 (E_RNA)
where:
Base-Base interactions energy: -634.619
where: short stacking energy: -265.906
Base-Backbone interact. energy: -0.482
local terms energy: -267.940583
where:
bonds (distance) C4'-P energy: -36.485
bonds (distance) P-C4' energy: -52.915
flat angles C4'-P-C4' energy: -68.227
flat angles P-C4'-P energy: -42.810
tors. eta vs tors. theta energy: -67.503
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: 14
Temperature: 0.950000
Total energy: -850.513777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.513777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.513777 (E_RNA)
where:
Base-Base interactions energy: -583.816
where: short stacking energy: -234.920
Base-Backbone interact. energy: -0.798
local terms energy: -265.899763
where:
bonds (distance) C4'-P energy: -47.720
bonds (distance) P-C4' energy: -51.964
flat angles C4'-P-C4' energy: -63.903
flat angles P-C4'-P energy: -42.785
tors. eta vs tors. theta energy: -59.527
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: 3, replica: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -860.487499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.487499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.487499 (E_RNA)
where:
Base-Base interactions energy: -600.763
where: short stacking energy: -246.044
Base-Backbone interact. energy: -0.949
local terms energy: -258.774824
where:
bonds (distance) C4'-P energy: -46.837
bonds (distance) P-C4' energy: -48.121
flat angles C4'-P-C4' energy: -53.534
flat angles P-C4'-P energy: -41.424
tors. eta vs tors. theta energy: -68.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -813.163181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.163181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.163181 (E_RNA)
where:
Base-Base interactions energy: -560.409
where: short stacking energy: -224.639
Base-Backbone interact. energy: 1.923
local terms energy: -254.676668
where:
bonds (distance) C4'-P energy: -50.238
bonds (distance) P-C4' energy: -51.606
flat angles C4'-P-C4' energy: -59.019
flat angles P-C4'-P energy: -38.764
tors. eta vs tors. theta energy: -55.049
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: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -835.171784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.171784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.171784 (E_RNA)
where:
Base-Base interactions energy: -573.172
where: short stacking energy: -234.517
Base-Backbone interact. energy: -0.114
local terms energy: -261.885989
where:
bonds (distance) C4'-P energy: -50.529
bonds (distance) P-C4' energy: -57.615
flat angles C4'-P-C4' energy: -59.427
flat angles P-C4'-P energy: -33.766
tors. eta vs tors. theta energy: -60.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -783.720777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.720777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.720777 (E_RNA)
where:
Base-Base interactions energy: -538.013
where: short stacking energy: -210.085
Base-Backbone interact. energy: -0.365
local terms energy: -245.342912
where:
bonds (distance) C4'-P energy: -49.815
bonds (distance) P-C4' energy: -55.986
flat angles C4'-P-C4' energy: -51.305
flat angles P-C4'-P energy: -34.679
tors. eta vs tors. theta energy: -53.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -747.975342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.975342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.975342 (E_RNA)
where:
Base-Base interactions energy: -515.021
where: short stacking energy: -228.855
Base-Backbone interact. energy: 1.193
local terms energy: -234.147708
where:
bonds (distance) C4'-P energy: -48.532
bonds (distance) P-C4' energy: -55.105
flat angles C4'-P-C4' energy: -47.874
flat angles P-C4'-P energy: -25.683
tors. eta vs tors. theta energy: -56.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -720.346334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.346334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.346334 (E_RNA)
where:
Base-Base interactions energy: -496.649
where: short stacking energy: -205.665
Base-Backbone interact. energy: 1.243
local terms energy: -224.940936
where:
bonds (distance) C4'-P energy: -41.661
bonds (distance) P-C4' energy: -43.933
flat angles C4'-P-C4' energy: -49.164
flat angles P-C4'-P energy: -34.611
tors. eta vs tors. theta energy: -55.572
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: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -623.253354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.253354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.253354 (E_RNA)
where:
Base-Base interactions energy: -418.518
where: short stacking energy: -179.206
Base-Backbone interact. energy: -1.839
local terms energy: -202.896741
where:
bonds (distance) C4'-P energy: -40.539
bonds (distance) P-C4' energy: -47.174
flat angles C4'-P-C4' energy: -42.876
flat angles P-C4'-P energy: -26.315
tors. eta vs tors. theta energy: -45.992
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: 14
Temperature: 1.350000
Total energy: -631.301379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.301379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.301379 (E_RNA)
where:
Base-Base interactions energy: -446.742
where: short stacking energy: -179.702
Base-Backbone interact. energy: -1.370
local terms energy: -183.189556
where:
bonds (distance) C4'-P energy: -36.199
bonds (distance) P-C4' energy: -47.259
flat angles C4'-P-C4' energy: -40.855
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -41.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -917.823384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.823384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.823384 (E_RNA)
where:
Base-Base interactions energy: -636.699
where: short stacking energy: -272.566
Base-Backbone interact. energy: 1.144
local terms energy: -282.267997
where:
bonds (distance) C4'-P energy: -52.580
bonds (distance) P-C4' energy: -54.345
flat angles C4'-P-C4' energy: -58.869
flat angles P-C4'-P energy: -44.426
tors. eta vs tors. theta energy: -72.048
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: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -892.947216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.947216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.947216 (E_RNA)
where:
Base-Base interactions energy: -617.229
where: short stacking energy: -250.174
Base-Backbone interact. energy: -0.881
local terms energy: -274.837027
where:
bonds (distance) C4'-P energy: -44.387
bonds (distance) P-C4' energy: -49.980
flat angles C4'-P-C4' energy: -54.579
flat angles P-C4'-P energy: -48.724
tors. eta vs tors. theta energy: -77.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -816.023710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.023710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.023710 (E_RNA)
where:
Base-Base interactions energy: -575.526
where: short stacking energy: -229.961
Base-Backbone interact. energy: 0.085
local terms energy: -240.581782
where:
bonds (distance) C4'-P energy: -47.438
bonds (distance) P-C4' energy: -55.383
flat angles C4'-P-C4' energy: -53.755
flat angles P-C4'-P energy: -38.226
tors. eta vs tors. theta energy: -45.780
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: 9
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -851.680465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.680465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.680465 (E_RNA)
where:
Base-Base interactions energy: -579.528
where: short stacking energy: -249.559
Base-Backbone interact. energy: 1.510
local terms energy: -273.661851
where:
bonds (distance) C4'-P energy: -49.033
bonds (distance) P-C4' energy: -44.069
flat angles C4'-P-C4' energy: -56.967
flat angles P-C4'-P energy: -44.131
tors. eta vs tors. theta energy: -79.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -794.920848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.920848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.920848 (E_RNA)
where:
Base-Base interactions energy: -543.185
where: short stacking energy: -224.096
Base-Backbone interact. energy: -0.125
local terms energy: -251.610699
where:
bonds (distance) C4'-P energy: -44.894
bonds (distance) P-C4' energy: -54.009
flat angles C4'-P-C4' energy: -62.106
flat angles P-C4'-P energy: -30.885
tors. eta vs tors. theta energy: -59.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -763.754994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.754994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.754994 (E_RNA)
where:
Base-Base interactions energy: -541.462
where: short stacking energy: -222.000
Base-Backbone interact. energy: -0.954
local terms energy: -221.338670
where:
bonds (distance) C4'-P energy: -38.773
bonds (distance) P-C4' energy: -48.514
flat angles C4'-P-C4' energy: -55.163
flat angles P-C4'-P energy: -25.483
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: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -766.813887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.813887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.813887 (E_RNA)
where:
Base-Base interactions energy: -533.736
where: short stacking energy: -215.918
Base-Backbone interact. energy: -0.164
local terms energy: -232.913978
where:
bonds (distance) C4'-P energy: -44.878
bonds (distance) P-C4' energy: -50.073
flat angles C4'-P-C4' energy: -46.350
flat angles P-C4'-P energy: -32.792
tors. eta vs tors. theta energy: -58.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -738.703975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.703975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.703975 (E_RNA)
where:
Base-Base interactions energy: -516.512
where: short stacking energy: -206.798
Base-Backbone interact. energy: -0.574
local terms energy: -221.618270
where:
bonds (distance) C4'-P energy: -41.645
bonds (distance) P-C4' energy: -43.456
flat angles C4'-P-C4' energy: -55.536
flat angles P-C4'-P energy: -27.337
tors. eta vs tors. theta energy: -53.643
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: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -655.370648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.370648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.370648 (E_RNA)
where:
Base-Base interactions energy: -438.155
where: short stacking energy: -188.662
Base-Backbone interact. energy: -1.794
local terms energy: -215.421976
where:
bonds (distance) C4'-P energy: -38.412
bonds (distance) P-C4' energy: -43.331
flat angles C4'-P-C4' energy: -48.771
flat angles P-C4'-P energy: -33.492
tors. eta vs tors. theta energy: -51.416
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: 15
Temperature: 1.350000
Total energy: -623.064969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.064969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.064969 (E_RNA)
where:
Base-Base interactions energy: -412.095
where: short stacking energy: -169.250
Base-Backbone interact. energy: -0.739
local terms energy: -210.230962
where:
bonds (distance) C4'-P energy: -41.715
bonds (distance) P-C4' energy: -39.433
flat angles C4'-P-C4' energy: -56.410
flat angles P-C4'-P energy: -32.803
tors. eta vs tors. theta energy: -39.871
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: 1, replica: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -916.594135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.594135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.594135 (E_RNA)
where:
Base-Base interactions energy: -648.038
where: short stacking energy: -279.130
Base-Backbone interact. energy: -0.554
local terms energy: -268.002526
where:
bonds (distance) C4'-P energy: -43.274
bonds (distance) P-C4' energy: -56.001
flat angles C4'-P-C4' energy: -58.693
flat angles P-C4'-P energy: -40.643
tors. eta vs tors. theta energy: -69.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -912.715416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.715416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.715416 (E_RNA)
where:
Base-Base interactions energy: -639.683
where: short stacking energy: -263.302
Base-Backbone interact. energy: -0.923
local terms energy: -272.108692
where:
bonds (distance) C4'-P energy: -42.047
bonds (distance) P-C4' energy: -52.155
flat angles C4'-P-C4' energy: -59.389
flat angles P-C4'-P energy: -47.636
tors. eta vs tors. theta energy: -70.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -873.349978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.349978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.349978 (E_RNA)
where:
Base-Base interactions energy: -610.221
where: short stacking energy: -263.571
Base-Backbone interact. energy: -0.657
local terms energy: -262.471206
where:
bonds (distance) C4'-P energy: -51.668
bonds (distance) P-C4' energy: -44.263
flat angles C4'-P-C4' energy: -60.534
flat angles P-C4'-P energy: -32.129
tors. eta vs tors. theta energy: -73.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -812.357942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.357942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.357942 (E_RNA)
where:
Base-Base interactions energy: -565.382
where: short stacking energy: -239.070
Base-Backbone interact. energy: -0.109
local terms energy: -246.866763
where:
bonds (distance) C4'-P energy: -44.707
bonds (distance) P-C4' energy: -51.471
flat angles C4'-P-C4' energy: -54.939
flat angles P-C4'-P energy: -36.777
tors. eta vs tors. theta energy: -58.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -796.613009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.613009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.613009 (E_RNA)
where:
Base-Base interactions energy: -570.775
where: short stacking energy: -231.751
Base-Backbone interact. energy: -1.040
local terms energy: -224.798008
where:
bonds (distance) C4'-P energy: -41.618
bonds (distance) P-C4' energy: -45.989
flat angles C4'-P-C4' energy: -49.257
flat angles P-C4'-P energy: -28.853
tors. eta vs tors. theta energy: -59.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -787.272467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.272467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.272467 (E_RNA)
where:
Base-Base interactions energy: -543.060
where: short stacking energy: -217.505
Base-Backbone interact. energy: -1.948
local terms energy: -242.264636
where:
bonds (distance) C4'-P energy: -54.337
bonds (distance) P-C4' energy: -40.941
flat angles C4'-P-C4' energy: -50.469
flat angles P-C4'-P energy: -39.346
tors. eta vs tors. theta energy: -57.171
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: 2
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -694.235008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.235008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.235008 (E_RNA)
where:
Base-Base interactions energy: -488.397
where: short stacking energy: -202.032
Base-Backbone interact. energy: -0.962
local terms energy: -204.875337
where:
bonds (distance) C4'-P energy: -49.229
bonds (distance) P-C4' energy: -46.126
flat angles C4'-P-C4' energy: -41.210
flat angles P-C4'-P energy: -22.163
tors. eta vs tors. theta energy: -46.147
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: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -725.852497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.852497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.852497 (E_RNA)
where:
Base-Base interactions energy: -508.868
where: short stacking energy: -186.504
Base-Backbone interact. energy: -0.693
local terms energy: -216.291505
where:
bonds (distance) C4'-P energy: -48.002
bonds (distance) P-C4' energy: -53.182
flat angles C4'-P-C4' energy: -43.779
flat angles P-C4'-P energy: -20.604
tors. eta vs tors. theta energy: -50.724
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: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -646.596022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.596022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.596022 (E_RNA)
where:
Base-Base interactions energy: -424.336
where: short stacking energy: -154.192
Base-Backbone interact. energy: -1.661
local terms energy: -220.598598
where:
bonds (distance) C4'-P energy: -48.719
bonds (distance) P-C4' energy: -44.913
flat angles C4'-P-C4' energy: -52.691
flat angles P-C4'-P energy: -33.732
tors. eta vs tors. theta energy: -40.544
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: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -652.165952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.165952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.165952 (E_RNA)
where:
Base-Base interactions energy: -447.425
where: short stacking energy: -174.906
Base-Backbone interact. energy: 0.255
local terms energy: -204.995435
where:
bonds (distance) C4'-P energy: -41.979
bonds (distance) P-C4' energy: -33.787
flat angles C4'-P-C4' energy: -48.800
flat angles P-C4'-P energy: -38.519
tors. eta vs tors. theta energy: -41.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -886.103947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.103947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.103947 (E_RNA)
where:
Base-Base interactions energy: -624.271
where: short stacking energy: -258.183
Base-Backbone interact. energy: -0.097
local terms energy: -261.735810
where:
bonds (distance) C4'-P energy: -54.963
bonds (distance) P-C4' energy: -43.150
flat angles C4'-P-C4' energy: -66.033
flat angles P-C4'-P energy: -33.963
tors. eta vs tors. theta energy: -63.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -908.552800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.552800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.552800 (E_RNA)
where:
Base-Base interactions energy: -628.496
where: short stacking energy: -264.486
Base-Backbone interact. energy: -1.174
local terms energy: -278.883090
where:
bonds (distance) C4'-P energy: -42.286
bonds (distance) P-C4' energy: -57.281
flat angles C4'-P-C4' energy: -63.799
flat angles P-C4'-P energy: -41.057
tors. eta vs tors. theta energy: -74.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -857.593533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.593533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.593533 (E_RNA)
where:
Base-Base interactions energy: -581.429
where: short stacking energy: -241.859
Base-Backbone interact. energy: -0.066
local terms energy: -276.098705
where:
bonds (distance) C4'-P energy: -56.222
bonds (distance) P-C4' energy: -49.539
flat angles C4'-P-C4' energy: -58.158
flat angles P-C4'-P energy: -38.599
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: 4, replica: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -814.725384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.725384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.725384 (E_RNA)
where:
Base-Base interactions energy: -578.677
where: short stacking energy: -243.803
Base-Backbone interact. energy: -1.340
local terms energy: -234.708576
where:
bonds (distance) C4'-P energy: -37.714
bonds (distance) P-C4' energy: -59.166
flat angles C4'-P-C4' energy: -49.457
flat angles P-C4'-P energy: -30.440
tors. eta vs tors. theta energy: -57.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -800.540560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.540560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.540560 (E_RNA)
where:
Base-Base interactions energy: -559.163
where: short stacking energy: -224.783
Base-Backbone interact. energy: -0.601
local terms energy: -240.776577
where:
bonds (distance) C4'-P energy: -44.805
bonds (distance) P-C4' energy: -44.630
flat angles C4'-P-C4' energy: -53.386
flat angles P-C4'-P energy: -36.123
tors. eta vs tors. theta energy: -61.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -759.207437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.207437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.207437 (E_RNA)
where:
Base-Base interactions energy: -519.020
where: short stacking energy: -210.070
Base-Backbone interact. energy: -0.137
local terms energy: -240.050359
where:
bonds (distance) C4'-P energy: -47.886
bonds (distance) P-C4' energy: -40.366
flat angles C4'-P-C4' energy: -57.117
flat angles P-C4'-P energy: -39.058
tors. eta vs tors. theta energy: -55.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -705.205975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.205975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.205975 (E_RNA)
where:
Base-Base interactions energy: -487.510
where: short stacking energy: -197.852
Base-Backbone interact. energy: -0.199
local terms energy: -217.496328
where:
bonds (distance) C4'-P energy: -47.221
bonds (distance) P-C4' energy: -42.743
flat angles C4'-P-C4' energy: -51.991
flat angles P-C4'-P energy: -29.117
tors. eta vs tors. theta energy: -46.425
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: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -693.455522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.455522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.455522 (E_RNA)
where:
Base-Base interactions energy: -482.614
where: short stacking energy: -194.437
Base-Backbone interact. energy: -0.702
local terms energy: -210.139903
where:
bonds (distance) C4'-P energy: -38.126
bonds (distance) P-C4' energy: -50.904
flat angles C4'-P-C4' energy: -45.698
flat angles P-C4'-P energy: -28.514
tors. eta vs tors. theta energy: -46.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -647.727391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.727391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.727391 (E_RNA)
where:
Base-Base interactions energy: -443.531
where: short stacking energy: -180.797
Base-Backbone interact. energy: 7.620
local terms energy: -211.816068
where:
bonds (distance) C4'-P energy: -46.724
bonds (distance) P-C4' energy: -47.869
flat angles C4'-P-C4' energy: -40.105
flat angles P-C4'-P energy: -34.022
tors. eta vs tors. theta energy: -43.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -609.411015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.411015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.411015 (E_RNA)
where:
Base-Base interactions energy: -416.993
where: short stacking energy: -165.010
Base-Backbone interact. energy: -0.510
local terms energy: -191.908003
where:
bonds (distance) C4'-P energy: -33.229
bonds (distance) P-C4' energy: -35.236
flat angles C4'-P-C4' energy: -51.980
flat angles P-C4'-P energy: -35.528
tors. eta vs tors. theta energy: -35.934
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: 7
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -915.914519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.914519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.914519 (E_RNA)
where:
Base-Base interactions energy: -633.815
where: short stacking energy: -266.326
Base-Backbone interact. energy: -1.559
local terms energy: -280.541259
where:
bonds (distance) C4'-P energy: -48.469
bonds (distance) P-C4' energy: -53.994
flat angles C4'-P-C4' energy: -58.582
flat angles P-C4'-P energy: -41.915
tors. eta vs tors. theta energy: -77.581
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: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -879.642877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.642877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.642877 (E_RNA)
where:
Base-Base interactions energy: -624.823
where: short stacking energy: -250.991
Base-Backbone interact. energy: -1.332
local terms energy: -253.487295
where:
bonds (distance) C4'-P energy: -51.569
bonds (distance) P-C4' energy: -49.102
flat angles C4'-P-C4' energy: -57.673
flat angles P-C4'-P energy: -33.864
tors. eta vs tors. theta energy: -61.279
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: 18
Temperature: 1.000000
Total energy: -883.688881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.688881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.688881 (E_RNA)
where:
Base-Base interactions energy: -611.609
where: short stacking energy: -267.946
Base-Backbone interact. energy: -0.500
local terms energy: -271.579365
where:
bonds (distance) C4'-P energy: -44.304
bonds (distance) P-C4' energy: -53.694
flat angles C4'-P-C4' energy: -59.052
flat angles P-C4'-P energy: -38.267
tors. eta vs tors. theta energy: -76.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -805.298983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.298983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.298983 (E_RNA)
where:
Base-Base interactions energy: -547.052
where: short stacking energy: -233.598
Base-Backbone interact. energy: -0.737
local terms energy: -257.510084
where:
bonds (distance) C4'-P energy: -53.126
bonds (distance) P-C4' energy: -56.147
flat angles C4'-P-C4' energy: -54.140
flat angles P-C4'-P energy: -35.462
tors. eta vs tors. theta energy: -58.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -818.116505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.116505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.116505 (E_RNA)
where:
Base-Base interactions energy: -564.746
where: short stacking energy: -227.454
Base-Backbone interact. energy: -0.534
local terms energy: -252.836414
where:
bonds (distance) C4'-P energy: -46.746
bonds (distance) P-C4' energy: -53.354
flat angles C4'-P-C4' energy: -50.853
flat angles P-C4'-P energy: -37.349
tors. eta vs tors. theta energy: -64.535
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: 18
Temperature: 1.150000
Total energy: -768.710272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.710272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.710272 (E_RNA)
where:
Base-Base interactions energy: -534.707
where: short stacking energy: -215.819
Base-Backbone interact. energy: -1.408
local terms energy: -232.595070
where:
bonds (distance) C4'-P energy: -36.378
bonds (distance) P-C4' energy: -41.305
flat angles C4'-P-C4' energy: -51.508
flat angles P-C4'-P energy: -39.628
tors. eta vs tors. theta energy: -63.776
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: 6
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -744.167857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.167857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.167857 (E_RNA)
where:
Base-Base interactions energy: -526.582
where: short stacking energy: -217.578
Base-Backbone interact. energy: -0.133
local terms energy: -217.452216
where:
bonds (distance) C4'-P energy: -36.039
bonds (distance) P-C4' energy: -35.916
flat angles C4'-P-C4' energy: -48.840
flat angles P-C4'-P energy: -38.020
tors. eta vs tors. theta energy: -58.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -656.482442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.482442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.482442 (E_RNA)
where:
Base-Base interactions energy: -445.451
where: short stacking energy: -177.014
Base-Backbone interact. energy: -0.360
local terms energy: -210.671481
where:
bonds (distance) C4'-P energy: -38.179
bonds (distance) P-C4' energy: -41.423
flat angles C4'-P-C4' energy: -50.148
flat angles P-C4'-P energy: -32.064
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: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -630.447601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.447601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.447601 (E_RNA)
where:
Base-Base interactions energy: -414.647
where: short stacking energy: -179.359
Base-Backbone interact. energy: -1.002
local terms energy: -214.799404
where:
bonds (distance) C4'-P energy: -39.887
bonds (distance) P-C4' energy: -44.086
flat angles C4'-P-C4' energy: -51.080
flat angles P-C4'-P energy: -28.575
tors. eta vs tors. theta energy: -51.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -579.811207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.811207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.811207 (E_RNA)
where:
Base-Base interactions energy: -387.100
where: short stacking energy: -161.063
Base-Backbone interact. energy: -0.755
local terms energy: -191.955375
where:
bonds (distance) C4'-P energy: -37.081
bonds (distance) P-C4' energy: -32.342
flat angles C4'-P-C4' energy: -55.314
flat angles P-C4'-P energy: -19.193
tors. eta vs tors. theta energy: -48.026
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: 7
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -935.884711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.884711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.884711 (E_RNA)
where:
Base-Base interactions energy: -643.840
where: short stacking energy: -266.435
Base-Backbone interact. energy: -0.194
local terms energy: -291.850760
where:
bonds (distance) C4'-P energy: -53.983
bonds (distance) P-C4' energy: -48.909
flat angles C4'-P-C4' energy: -59.724
flat angles P-C4'-P energy: -48.373
tors. eta vs tors. theta energy: -80.862
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: 19
Temperature: 0.950000
Total energy: -903.595836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.595836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.595836 (E_RNA)
where:
Base-Base interactions energy: -630.085
where: short stacking energy: -271.488
Base-Backbone interact. energy: -0.145
local terms energy: -273.365730
where:
bonds (distance) C4'-P energy: -49.830
bonds (distance) P-C4' energy: -51.255
flat angles C4'-P-C4' energy: -59.443
flat angles P-C4'-P energy: -40.277
tors. eta vs tors. theta energy: -72.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -879.766497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.766497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.766497 (E_RNA)
where:
Base-Base interactions energy: -606.729
where: short stacking energy: -246.649
Base-Backbone interact. energy: 0.235
local terms energy: -273.272586
where:
bonds (distance) C4'-P energy: -52.330
bonds (distance) P-C4' energy: -59.961
flat angles C4'-P-C4' energy: -57.967
flat angles P-C4'-P energy: -40.719
tors. eta vs tors. theta energy: -62.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -838.475675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.475675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.475675 (E_RNA)
where:
Base-Base interactions energy: -582.494
where: short stacking energy: -252.641
Base-Backbone interact. energy: -0.203
local terms energy: -255.778487
where:
bonds (distance) C4'-P energy: -53.677
bonds (distance) P-C4' energy: -49.495
flat angles C4'-P-C4' energy: -48.311
flat angles P-C4'-P energy: -33.956
tors. eta vs tors. theta energy: -70.340
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: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -777.530405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.530405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.530405 (E_RNA)
where:
Base-Base interactions energy: -555.447
where: short stacking energy: -231.958
Base-Backbone interact. energy: 2.515
local terms energy: -224.598431
where:
bonds (distance) C4'-P energy: -33.661
bonds (distance) P-C4' energy: -47.040
flat angles C4'-P-C4' energy: -54.779
flat angles P-C4'-P energy: -34.926
tors. eta vs tors. theta energy: -54.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -721.440594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.440594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.440594 (E_RNA)
where:
Base-Base interactions energy: -498.275
where: short stacking energy: -187.790
Base-Backbone interact. energy: -2.194
local terms energy: -220.971397
where:
bonds (distance) C4'-P energy: -38.264
bonds (distance) P-C4' energy: -55.206
flat angles C4'-P-C4' energy: -54.514
flat angles P-C4'-P energy: -32.579
tors. eta vs tors. theta energy: -40.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -734.495304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.495304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.495304 (E_RNA)
where:
Base-Base interactions energy: -519.062
where: short stacking energy: -212.370
Base-Backbone interact. energy: -0.838
local terms energy: -214.595841
where:
bonds (distance) C4'-P energy: -45.301
bonds (distance) P-C4' energy: -50.854
flat angles C4'-P-C4' energy: -44.025
flat angles P-C4'-P energy: -26.800
tors. eta vs tors. theta energy: -47.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -666.717867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.717867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.717867 (E_RNA)
where:
Base-Base interactions energy: -444.508
where: short stacking energy: -185.232
Base-Backbone interact. energy: -0.149
local terms energy: -222.061669
where:
bonds (distance) C4'-P energy: -54.054
bonds (distance) P-C4' energy: -43.482
flat angles C4'-P-C4' energy: -48.913
flat angles P-C4'-P energy: -24.995
tors. eta vs tors. theta energy: -50.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -608.142985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.142985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.142985 (E_RNA)
where:
Base-Base interactions energy: -418.254
where: short stacking energy: -168.899
Base-Backbone interact. energy: -1.686
local terms energy: -188.202556
where:
bonds (distance) C4'-P energy: -41.787
bonds (distance) P-C4' energy: -39.053
flat angles C4'-P-C4' energy: -42.465
flat angles P-C4'-P energy: -26.039
tors. eta vs tors. theta energy: -38.857
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: 19
Temperature: 1.350000
Total energy: -584.574628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.574628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.574628 (E_RNA)
where:
Base-Base interactions energy: -392.846
where: short stacking energy: -151.647
Base-Backbone interact. energy: 0.828
local terms energy: -192.555967
where:
bonds (distance) C4'-P energy: -42.580
bonds (distance) P-C4' energy: -36.827
flat angles C4'-P-C4' energy: -51.633
flat angles P-C4'-P energy: -34.594
tors. eta vs tors. theta energy: -26.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -931.091993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.091993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.091993 (E_RNA)
where:
Base-Base interactions energy: -646.539
where: short stacking energy: -273.956
Base-Backbone interact. energy: -1.127
local terms energy: -283.426414
where:
bonds (distance) C4'-P energy: -56.209
bonds (distance) P-C4' energy: -50.080
flat angles C4'-P-C4' energy: -57.845
flat angles P-C4'-P energy: -46.297
tors. eta vs tors. theta energy: -72.995
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: 9
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -868.469998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.469998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.469998 (E_RNA)
where:
Base-Base interactions energy: -597.036
where: short stacking energy: -254.588
Base-Backbone interact. energy: -0.182
local terms energy: -271.252177
where:
bonds (distance) C4'-P energy: -46.366
bonds (distance) P-C4' energy: -55.916
flat angles C4'-P-C4' energy: -54.438
flat angles P-C4'-P energy: -38.956
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: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -864.969059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.969059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.969059 (E_RNA)
where:
Base-Base interactions energy: -603.358
where: short stacking energy: -244.759
Base-Backbone interact. energy: -0.820
local terms energy: -260.790602
where:
bonds (distance) C4'-P energy: -47.922
bonds (distance) P-C4' energy: -46.823
flat angles C4'-P-C4' energy: -60.965
flat angles P-C4'-P energy: -40.142
tors. eta vs tors. theta energy: -64.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -837.319709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.319709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.319709 (E_RNA)
where:
Base-Base interactions energy: -581.153
where: short stacking energy: -256.236
Base-Backbone interact. energy: -1.213
local terms energy: -254.952938
where:
bonds (distance) C4'-P energy: -47.622
bonds (distance) P-C4' energy: -52.425
flat angles C4'-P-C4' energy: -52.028
flat angles P-C4'-P energy: -40.064
tors. eta vs tors. theta energy: -62.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -795.380180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.380180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.380180 (E_RNA)
where:
Base-Base interactions energy: -553.975
where: short stacking energy: -242.224
Base-Backbone interact. energy: -0.520
local terms energy: -240.884892
where:
bonds (distance) C4'-P energy: -52.134
bonds (distance) P-C4' energy: -43.465
flat angles C4'-P-C4' energy: -52.242
flat angles P-C4'-P energy: -30.884
tors. eta vs tors. theta energy: -62.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -747.677749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.677749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.677749 (E_RNA)
where:
Base-Base interactions energy: -526.664
where: short stacking energy: -214.650
Base-Backbone interact. energy: 0.361
local terms energy: -221.374309
where:
bonds (distance) C4'-P energy: -43.124
bonds (distance) P-C4' energy: -46.690
flat angles C4'-P-C4' energy: -51.228
flat angles P-C4'-P energy: -30.176
tors. eta vs tors. theta energy: -50.156
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: 5
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -749.238919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.238919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.238919 (E_RNA)
where:
Base-Base interactions energy: -530.937
where: short stacking energy: -216.259
Base-Backbone interact. energy: -0.998
local terms energy: -217.303770
where:
bonds (distance) C4'-P energy: -47.497
bonds (distance) P-C4' energy: -44.245
flat angles C4'-P-C4' energy: -48.334
flat angles P-C4'-P energy: -26.459
tors. eta vs tors. theta energy: -50.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -646.636898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.636898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.636898 (E_RNA)
where:
Base-Base interactions energy: -438.050
where: short stacking energy: -176.470
Base-Backbone interact. energy: -0.327
local terms energy: -208.260563
where:
bonds (distance) C4'-P energy: -38.092
bonds (distance) P-C4' energy: -51.335
flat angles C4'-P-C4' energy: -44.302
flat angles P-C4'-P energy: -32.244
tors. eta vs tors. theta energy: -42.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -608.272169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.272169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.272169 (E_RNA)
where:
Base-Base interactions energy: -409.967
where: short stacking energy: -174.455
Base-Backbone interact. energy: -1.024
local terms energy: -197.280427
where:
bonds (distance) C4'-P energy: -44.596
bonds (distance) P-C4' energy: -42.082
flat angles C4'-P-C4' energy: -45.887
flat angles P-C4'-P energy: -23.917
tors. eta vs tors. theta energy: -40.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -596.259433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.259433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.259433 (E_RNA)
where:
Base-Base interactions energy: -391.912
where: short stacking energy: -151.793
Base-Backbone interact. energy: -0.771
local terms energy: -203.577084
where:
bonds (distance) C4'-P energy: -40.572
bonds (distance) P-C4' energy: -51.913
flat angles C4'-P-C4' energy: -45.950
flat angles P-C4'-P energy: -31.620
tors. eta vs tors. theta energy: -33.521
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: 7
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -938.798360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.798360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.798360 (E_RNA)
where:
Base-Base interactions energy: -645.228
where: short stacking energy: -275.182
Base-Backbone interact. energy: -0.660
local terms energy: -292.910682
where:
bonds (distance) C4'-P energy: -51.716
bonds (distance) P-C4' energy: -55.593
flat angles C4'-P-C4' energy: -62.991
flat angles P-C4'-P energy: -43.776
tors. eta vs tors. theta energy: -78.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -885.311002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.311002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.311002 (E_RNA)
where:
Base-Base interactions energy: -598.164
where: short stacking energy: -259.180
Base-Backbone interact. energy: -0.829
local terms energy: -286.318023
where:
bonds (distance) C4'-P energy: -51.446
bonds (distance) P-C4' energy: -55.779
flat angles C4'-P-C4' energy: -62.974
flat angles P-C4'-P energy: -45.057
tors. eta vs tors. theta energy: -71.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -823.946827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.946827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.946827 (E_RNA)
where:
Base-Base interactions energy: -557.735
where: short stacking energy: -246.996
Base-Backbone interact. energy: -0.228
local terms energy: -265.983695
where:
bonds (distance) C4'-P energy: -50.366
bonds (distance) P-C4' energy: -47.935
flat angles C4'-P-C4' energy: -56.166
flat angles P-C4'-P energy: -38.369
tors. eta vs tors. theta energy: -73.147
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: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -816.306444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.306444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.306444 (E_RNA)
where:
Base-Base interactions energy: -578.274
where: short stacking energy: -247.549
Base-Backbone interact. energy: 1.534
local terms energy: -239.566311
where:
bonds (distance) C4'-P energy: -50.969
bonds (distance) P-C4' energy: -46.370
flat angles C4'-P-C4' energy: -51.534
flat angles P-C4'-P energy: -29.287
tors. eta vs tors. theta energy: -61.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -801.983152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.983152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.983152 (E_RNA)
where:
Base-Base interactions energy: -574.861
where: short stacking energy: -228.229
Base-Backbone interact. energy: -0.841
local terms energy: -226.281353
where:
bonds (distance) C4'-P energy: -38.496
bonds (distance) P-C4' energy: -54.360
flat angles C4'-P-C4' energy: -54.749
flat angles P-C4'-P energy: -25.817
tors. eta vs tors. theta energy: -52.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -794.836419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.836419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.836419 (E_RNA)
where:
Base-Base interactions energy: -554.312
where: short stacking energy: -231.982
Base-Backbone interact. energy: -0.540
local terms energy: -239.984016
where:
bonds (distance) C4'-P energy: -48.551
bonds (distance) P-C4' energy: -44.786
flat angles C4'-P-C4' energy: -51.909
flat angles P-C4'-P energy: -27.420
tors. eta vs tors. theta energy: -67.318
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: 21
Temperature: 1.200000
Total energy: -746.415767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.415767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.415767 (E_RNA)
where:
Base-Base interactions energy: -528.286
where: short stacking energy: -215.189
Base-Backbone interact. energy: -0.362
local terms energy: -217.768229
where:
bonds (distance) C4'-P energy: -34.008
bonds (distance) P-C4' energy: -41.560
flat angles C4'-P-C4' energy: -57.127
flat angles P-C4'-P energy: -26.284
tors. eta vs tors. theta energy: -58.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -687.913530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.913530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.913530 (E_RNA)
where:
Base-Base interactions energy: -491.859
where: short stacking energy: -198.249
Base-Backbone interact. energy: 3.195
local terms energy: -199.250067
where:
bonds (distance) C4'-P energy: -44.792
bonds (distance) P-C4' energy: -44.638
flat angles C4'-P-C4' energy: -34.985
flat angles P-C4'-P energy: -25.029
tors. eta vs tors. theta energy: -49.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -588.286936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.286936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.286936 (E_RNA)
where:
Base-Base interactions energy: -399.904
where: short stacking energy: -161.218
Base-Backbone interact. energy: -0.654
local terms energy: -187.728935
where:
bonds (distance) C4'-P energy: -52.520
bonds (distance) P-C4' energy: -38.018
flat angles C4'-P-C4' energy: -34.737
flat angles P-C4'-P energy: -31.035
tors. eta vs tors. theta energy: -31.419
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: 21
Temperature: 1.350000
Total energy: -551.598155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.598155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.598155 (E_RNA)
where:
Base-Base interactions energy: -357.445
where: short stacking energy: -150.509
Base-Backbone interact. energy: 0.870
local terms energy: -195.023116
where:
bonds (distance) C4'-P energy: -37.461
bonds (distance) P-C4' energy: -46.560
flat angles C4'-P-C4' energy: -51.517
flat angles P-C4'-P energy: -21.830
tors. eta vs tors. theta energy: -37.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -947.190879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.190879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.190879 (E_RNA)
where:
Base-Base interactions energy: -654.696
where: short stacking energy: -276.300
Base-Backbone interact. energy: -2.296
local terms energy: -290.198793
where:
bonds (distance) C4'-P energy: -56.849
bonds (distance) P-C4' energy: -49.814
flat angles C4'-P-C4' energy: -65.655
flat angles P-C4'-P energy: -41.650
tors. eta vs tors. theta energy: -76.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -913.538488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.538488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.538488 (E_RNA)
where:
Base-Base interactions energy: -631.346
where: short stacking energy: -261.259
Base-Backbone interact. energy: 1.061
local terms energy: -283.253414
where:
bonds (distance) C4'-P energy: -60.310
bonds (distance) P-C4' energy: -52.126
flat angles C4'-P-C4' energy: -61.433
flat angles P-C4'-P energy: -38.624
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: 3, replica: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -837.627765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.627765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.627765 (E_RNA)
where:
Base-Base interactions energy: -580.692
where: short stacking energy: -236.210
Base-Backbone interact. energy: 0.817
local terms energy: -257.752289
where:
bonds (distance) C4'-P energy: -47.582
bonds (distance) P-C4' energy: -53.827
flat angles C4'-P-C4' energy: -54.025
flat angles P-C4'-P energy: -45.214
tors. eta vs tors. theta energy: -57.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -819.914918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.914918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.914918 (E_RNA)
where:
Base-Base interactions energy: -545.360
where: short stacking energy: -239.375
Base-Backbone interact. energy: -1.784
local terms energy: -272.770663
where:
bonds (distance) C4'-P energy: -51.831
bonds (distance) P-C4' energy: -51.467
flat angles C4'-P-C4' energy: -64.436
flat angles P-C4'-P energy: -34.774
tors. eta vs tors. theta energy: -70.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -797.190774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.190774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.190774 (E_RNA)
where:
Base-Base interactions energy: -559.894
where: short stacking energy: -229.167
Base-Backbone interact. energy: -1.817
local terms energy: -235.479001
where:
bonds (distance) C4'-P energy: -38.917
bonds (distance) P-C4' energy: -53.866
flat angles C4'-P-C4' energy: -53.552
flat angles P-C4'-P energy: -30.452
tors. eta vs tors. theta energy: -58.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -762.857666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.857666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.857666 (E_RNA)
where:
Base-Base interactions energy: -525.537
where: short stacking energy: -204.187
Base-Backbone interact. energy: -0.359
local terms energy: -236.961933
where:
bonds (distance) C4'-P energy: -42.154
bonds (distance) P-C4' energy: -39.218
flat angles C4'-P-C4' energy: -47.472
flat angles P-C4'-P energy: -46.370
tors. eta vs tors. theta energy: -61.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -751.027588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.027588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.027588 (E_RNA)
where:
Base-Base interactions energy: -506.116
where: short stacking energy: -224.327
Base-Backbone interact. energy: -2.029
local terms energy: -242.882644
where:
bonds (distance) C4'-P energy: -41.418
bonds (distance) P-C4' energy: -49.376
flat angles C4'-P-C4' energy: -49.127
flat angles P-C4'-P energy: -38.214
tors. eta vs tors. theta energy: -64.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -732.578498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.578498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.578498 (E_RNA)
where:
Base-Base interactions energy: -508.876
where: short stacking energy: -200.870
Base-Backbone interact. energy: -0.666
local terms energy: -223.036253
where:
bonds (distance) C4'-P energy: -35.644
bonds (distance) P-C4' energy: -44.010
flat angles C4'-P-C4' energy: -56.326
flat angles P-C4'-P energy: -35.113
tors. eta vs tors. theta energy: -51.944
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: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -597.872714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.872714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.872714 (E_RNA)
where:
Base-Base interactions energy: -409.719
where: short stacking energy: -141.791
Base-Backbone interact. energy: -1.910
local terms energy: -186.244299
where:
bonds (distance) C4'-P energy: -52.940
bonds (distance) P-C4' energy: -44.214
flat angles C4'-P-C4' energy: -30.345
flat angles P-C4'-P energy: -26.078
tors. eta vs tors. theta energy: -32.668
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: 22
Temperature: 1.350000
Total energy: -584.598895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.598895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.598895 (E_RNA)
where:
Base-Base interactions energy: -381.373
where: short stacking energy: -167.767
Base-Backbone interact. energy: -1.287
local terms energy: -201.939480
where:
bonds (distance) C4'-P energy: -41.102
bonds (distance) P-C4' energy: -43.818
flat angles C4'-P-C4' energy: -42.391
flat angles P-C4'-P energy: -39.432
tors. eta vs tors. theta energy: -35.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -924.520556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.520556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.520556 (E_RNA)
where:
Base-Base interactions energy: -636.211
where: short stacking energy: -250.410
Base-Backbone interact. energy: -3.500
local terms energy: -284.810165
where:
bonds (distance) C4'-P energy: -54.086
bonds (distance) P-C4' energy: -52.425
flat angles C4'-P-C4' energy: -63.642
flat angles P-C4'-P energy: -36.991
tors. eta vs tors. theta energy: -77.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -926.141270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.141270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.141270 (E_RNA)
where:
Base-Base interactions energy: -648.924
where: short stacking energy: -262.323
Base-Backbone interact. energy: 1.660
local terms energy: -278.877065
where:
bonds (distance) C4'-P energy: -46.403
bonds (distance) P-C4' energy: -59.071
flat angles C4'-P-C4' energy: -58.570
flat angles P-C4'-P energy: -45.402
tors. eta vs tors. theta energy: -69.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -843.426021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.426021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.426021 (E_RNA)
where:
Base-Base interactions energy: -600.196
where: short stacking energy: -247.181
Base-Backbone interact. energy: 0.378
local terms energy: -243.608816
where:
bonds (distance) C4'-P energy: -39.352
bonds (distance) P-C4' energy: -56.273
flat angles C4'-P-C4' energy: -52.125
flat angles P-C4'-P energy: -28.290
tors. eta vs tors. theta energy: -67.570
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: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -825.958204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.958204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.958204 (E_RNA)
where:
Base-Base interactions energy: -577.146
where: short stacking energy: -261.050
Base-Backbone interact. energy: -0.660
local terms energy: -248.151932
where:
bonds (distance) C4'-P energy: -45.007
bonds (distance) P-C4' energy: -44.999
flat angles C4'-P-C4' energy: -54.387
flat angles P-C4'-P energy: -34.719
tors. eta vs tors. theta energy: -69.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -817.122920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.122920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.122920 (E_RNA)
where:
Base-Base interactions energy: -552.239
where: short stacking energy: -240.576
Base-Backbone interact. energy: -0.466
local terms energy: -264.417944
where:
bonds (distance) C4'-P energy: -44.773
bonds (distance) P-C4' energy: -53.081
flat angles C4'-P-C4' energy: -58.473
flat angles P-C4'-P energy: -40.097
tors. eta vs tors. theta energy: -67.995
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: 5
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -781.908667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.908667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.908667 (E_RNA)
where:
Base-Base interactions energy: -528.598
where: short stacking energy: -209.931
Base-Backbone interact. energy: 2.115
local terms energy: -255.425572
where:
bonds (distance) C4'-P energy: -50.972
bonds (distance) P-C4' energy: -57.199
flat angles C4'-P-C4' energy: -54.175
flat angles P-C4'-P energy: -36.164
tors. eta vs tors. theta energy: -56.916
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: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -730.168791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.168791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.168791 (E_RNA)
where:
Base-Base interactions energy: -506.345
where: short stacking energy: -206.233
Base-Backbone interact. energy: -0.369
local terms energy: -223.454884
where:
bonds (distance) C4'-P energy: -42.700
bonds (distance) P-C4' energy: -48.165
flat angles C4'-P-C4' energy: -41.201
flat angles P-C4'-P energy: -34.619
tors. eta vs tors. theta energy: -56.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -710.476164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.476164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.476164 (E_RNA)
where:
Base-Base interactions energy: -515.043
where: short stacking energy: -210.351
Base-Backbone interact. energy: -1.439
local terms energy: -193.993721
where:
bonds (distance) C4'-P energy: -37.883
bonds (distance) P-C4' energy: -33.761
flat angles C4'-P-C4' energy: -45.609
flat angles P-C4'-P energy: -30.022
tors. eta vs tors. theta energy: -46.718
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: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -572.410357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.410357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.410357 (E_RNA)
where:
Base-Base interactions energy: -379.551
where: short stacking energy: -153.048
Base-Backbone interact. energy: 0.065
local terms energy: -192.924327
where:
bonds (distance) C4'-P energy: -44.543
bonds (distance) P-C4' energy: -45.264
flat angles C4'-P-C4' energy: -42.813
flat angles P-C4'-P energy: -24.442
tors. eta vs tors. theta energy: -35.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -576.806912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.806912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.806912 (E_RNA)
where:
Base-Base interactions energy: -389.645
where: short stacking energy: -175.377
Base-Backbone interact. energy: -1.026
local terms energy: -186.136394
where:
bonds (distance) C4'-P energy: -43.778
bonds (distance) P-C4' energy: -45.816
flat angles C4'-P-C4' energy: -40.779
flat angles P-C4'-P energy: -18.067
tors. eta vs tors. theta energy: -37.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -918.325939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.325939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.325939 (E_RNA)
where:
Base-Base interactions energy: -643.186
where: short stacking energy: -271.551
Base-Backbone interact. energy: -0.521
local terms energy: -274.619303
where:
bonds (distance) C4'-P energy: -51.430
bonds (distance) P-C4' energy: -57.555
flat angles C4'-P-C4' energy: -51.857
flat angles P-C4'-P energy: -42.124
tors. eta vs tors. theta energy: -71.654
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: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -891.173302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.173302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.173302 (E_RNA)
where:
Base-Base interactions energy: -614.730
where: short stacking energy: -249.369
Base-Backbone interact. energy: -1.094
local terms energy: -275.348634
where:
bonds (distance) C4'-P energy: -54.363
bonds (distance) P-C4' energy: -52.273
flat angles C4'-P-C4' energy: -57.174
flat angles P-C4'-P energy: -43.295
tors. eta vs tors. theta energy: -68.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -832.583763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.583763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.583763 (E_RNA)
where:
Base-Base interactions energy: -576.056
where: short stacking energy: -234.897
Base-Backbone interact. energy: -0.042
local terms energy: -256.485851
where:
bonds (distance) C4'-P energy: -47.973
bonds (distance) P-C4' energy: -53.716
flat angles C4'-P-C4' energy: -58.221
flat angles P-C4'-P energy: -40.307
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: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -804.455547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.455547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.455547 (E_RNA)
where:
Base-Base interactions energy: -558.679
where: short stacking energy: -231.278
Base-Backbone interact. energy: 0.614
local terms energy: -246.390539
where:
bonds (distance) C4'-P energy: -39.470
bonds (distance) P-C4' energy: -48.481
flat angles C4'-P-C4' energy: -60.605
flat angles P-C4'-P energy: -38.046
tors. eta vs tors. theta energy: -59.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -803.253575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.253575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.253575 (E_RNA)
where:
Base-Base interactions energy: -562.083
where: short stacking energy: -245.145
Base-Backbone interact. energy: -0.374
local terms energy: -240.796158
where:
bonds (distance) C4'-P energy: -46.000
bonds (distance) P-C4' energy: -43.230
flat angles C4'-P-C4' energy: -50.603
flat angles P-C4'-P energy: -33.813
tors. eta vs tors. theta energy: -67.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -786.890574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.890574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.890574 (E_RNA)
where:
Base-Base interactions energy: -541.095
where: short stacking energy: -235.975
Base-Backbone interact. energy: -1.026
local terms energy: -244.769311
where:
bonds (distance) C4'-P energy: -50.832
bonds (distance) P-C4' energy: -47.495
flat angles C4'-P-C4' energy: -55.224
flat angles P-C4'-P energy: -26.189
tors. eta vs tors. theta energy: -65.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -744.955701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.955701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.955701 (E_RNA)
where:
Base-Base interactions energy: -518.614
where: short stacking energy: -215.121
Base-Backbone interact. energy: -0.715
local terms energy: -225.626602
where:
bonds (distance) C4'-P energy: -39.617
bonds (distance) P-C4' energy: -45.931
flat angles C4'-P-C4' energy: -58.317
flat angles P-C4'-P energy: -27.019
tors. eta vs tors. theta energy: -54.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -710.233010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.233010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.233010 (E_RNA)
where:
Base-Base interactions energy: -475.716
where: short stacking energy: -197.050
Base-Backbone interact. energy: -1.285
local terms energy: -233.232509
where:
bonds (distance) C4'-P energy: -51.808
bonds (distance) P-C4' energy: -52.440
flat angles C4'-P-C4' energy: -51.104
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: -53.615
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: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -577.605142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.605142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.605142 (E_RNA)
where:
Base-Base interactions energy: -387.325
where: short stacking energy: -149.756
Base-Backbone interact. energy: -0.894
local terms energy: -189.386625
where:
bonds (distance) C4'-P energy: -45.656
bonds (distance) P-C4' energy: -47.497
flat angles C4'-P-C4' energy: -30.763
flat angles P-C4'-P energy: -37.400
tors. eta vs tors. theta energy: -28.070
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: 24
Temperature: 1.350000
Total energy: -555.207852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.207852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.207852 (E_RNA)
where:
Base-Base interactions energy: -363.463
where: short stacking energy: -142.523
Base-Backbone interact. energy: 0.536
local terms energy: -192.280974
where:
bonds (distance) C4'-P energy: -39.737
bonds (distance) P-C4' energy: -46.860
flat angles C4'-P-C4' energy: -41.575
flat angles P-C4'-P energy: -31.404
tors. eta vs tors. theta energy: -32.706
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: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -924.648433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.648433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.648433 (E_RNA)
where:
Base-Base interactions energy: -637.536
where: short stacking energy: -270.817
Base-Backbone interact. energy: -0.758
local terms energy: -286.354044
where:
bonds (distance) C4'-P energy: -52.995
bonds (distance) P-C4' energy: -56.399
flat angles C4'-P-C4' energy: -54.135
flat angles P-C4'-P energy: -45.809
tors. eta vs tors. theta energy: -77.016
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: 2, replica: 7
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -894.949665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.949665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.949665 (E_RNA)
where:
Base-Base interactions energy: -619.346
where: short stacking energy: -246.952
Base-Backbone interact. energy: -0.816
local terms energy: -274.787342
where:
bonds (distance) C4'-P energy: -53.209
bonds (distance) P-C4' energy: -47.804
flat angles C4'-P-C4' energy: -62.683
flat angles P-C4'-P energy: -39.640
tors. eta vs tors. theta energy: -71.451
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: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -837.918173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.918173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.918173 (E_RNA)
where:
Base-Base interactions energy: -587.640
where: short stacking energy: -243.860
Base-Backbone interact. energy: 1.846
local terms energy: -252.124429
where:
bonds (distance) C4'-P energy: -43.036
bonds (distance) P-C4' energy: -51.906
flat angles C4'-P-C4' energy: -48.340
flat angles P-C4'-P energy: -42.628
tors. eta vs tors. theta energy: -66.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -824.703728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.703728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.703728 (E_RNA)
where:
Base-Base interactions energy: -554.918
where: short stacking energy: -239.560
Base-Backbone interact. energy: -0.273
local terms energy: -269.512999
where:
bonds (distance) C4'-P energy: -54.489
bonds (distance) P-C4' energy: -53.827
flat angles C4'-P-C4' energy: -57.259
flat angles P-C4'-P energy: -35.090
tors. eta vs tors. theta energy: -68.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -798.297832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.297832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.297832 (E_RNA)
where:
Base-Base interactions energy: -559.784
where: short stacking energy: -221.185
Base-Backbone interact. energy: -1.128
local terms energy: -237.385367
where:
bonds (distance) C4'-P energy: -46.811
bonds (distance) P-C4' energy: -46.014
flat angles C4'-P-C4' energy: -56.298
flat angles P-C4'-P energy: -34.746
tors. eta vs tors. theta energy: -53.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -744.691231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.691231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.691231 (E_RNA)
where:
Base-Base interactions energy: -523.045
where: short stacking energy: -212.586
Base-Backbone interact. energy: -2.446
local terms energy: -219.200405
where:
bonds (distance) C4'-P energy: -44.708
bonds (distance) P-C4' energy: -47.375
flat angles C4'-P-C4' energy: -47.141
flat angles P-C4'-P energy: -30.954
tors. eta vs tors. theta energy: -49.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -793.236000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.236000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.236000 (E_RNA)
where:
Base-Base interactions energy: -552.498
where: short stacking energy: -235.175
Base-Backbone interact. energy: -1.191
local terms energy: -239.547446
where:
bonds (distance) C4'-P energy: -49.505
bonds (distance) P-C4' energy: -37.814
flat angles C4'-P-C4' energy: -58.544
flat angles P-C4'-P energy: -27.904
tors. eta vs tors. theta energy: -65.781
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: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -706.741077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.741077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.741077 (E_RNA)
where:
Base-Base interactions energy: -467.546
where: short stacking energy: -199.009
Base-Backbone interact. energy: -0.813
local terms energy: -238.381446
where:
bonds (distance) C4'-P energy: -49.720
bonds (distance) P-C4' energy: -46.977
flat angles C4'-P-C4' energy: -52.447
flat angles P-C4'-P energy: -27.723
tors. eta vs tors. theta energy: -61.515
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: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -582.083311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.083311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.083311 (E_RNA)
where:
Base-Base interactions energy: -387.702
where: short stacking energy: -173.144
Base-Backbone interact. energy: 6.982
local terms energy: -201.362506
where:
bonds (distance) C4'-P energy: -32.977
bonds (distance) P-C4' energy: -53.068
flat angles C4'-P-C4' energy: -42.009
flat angles P-C4'-P energy: -36.072
tors. eta vs tors. theta energy: -37.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -518.186074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.186074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.186074 (E_RNA)
where:
Base-Base interactions energy: -323.661
where: short stacking energy: -137.634
Base-Backbone interact. energy: -0.949
local terms energy: -193.576290
where:
bonds (distance) C4'-P energy: -45.569
bonds (distance) P-C4' energy: -34.830
flat angles C4'-P-C4' energy: -48.834
flat angles P-C4'-P energy: -36.722
tors. eta vs tors. theta energy: -27.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -928.124737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.124737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.124737 (E_RNA)
where:
Base-Base interactions energy: -646.293
where: short stacking energy: -268.808
Base-Backbone interact. energy: -0.185
local terms energy: -281.646729
where:
bonds (distance) C4'-P energy: -40.562
bonds (distance) P-C4' energy: -53.329
flat angles C4'-P-C4' energy: -61.487
flat angles P-C4'-P energy: -46.086
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: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -898.928151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.928151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.928151 (E_RNA)
where:
Base-Base interactions energy: -638.806
where: short stacking energy: -273.447
Base-Backbone interact. energy: -1.004
local terms energy: -259.118201
where:
bonds (distance) C4'-P energy: -47.741
bonds (distance) P-C4' energy: -41.054
flat angles C4'-P-C4' energy: -56.300
flat angles P-C4'-P energy: -40.911
tors. eta vs tors. theta energy: -73.113
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: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -858.378856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.378856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.378856 (E_RNA)
where:
Base-Base interactions energy: -584.061
where: short stacking energy: -249.696
Base-Backbone interact. energy: 0.683
local terms energy: -275.000129
where:
bonds (distance) C4'-P energy: -54.925
bonds (distance) P-C4' energy: -45.951
flat angles C4'-P-C4' energy: -62.159
flat angles P-C4'-P energy: -39.007
tors. eta vs tors. theta energy: -72.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -805.613072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.613072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.613072 (E_RNA)
where:
Base-Base interactions energy: -570.889
where: short stacking energy: -252.274
Base-Backbone interact. energy: -0.241
local terms energy: -234.483941
where:
bonds (distance) C4'-P energy: -36.782
bonds (distance) P-C4' energy: -38.868
flat angles C4'-P-C4' energy: -48.753
flat angles P-C4'-P energy: -45.426
tors. eta vs tors. theta energy: -64.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -783.002178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.002178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.002178 (E_RNA)
where:
Base-Base interactions energy: -537.925
where: short stacking energy: -241.410
Base-Backbone interact. energy: 1.213
local terms energy: -246.289657
where:
bonds (distance) C4'-P energy: -41.730
bonds (distance) P-C4' energy: -48.113
flat angles C4'-P-C4' energy: -48.751
flat angles P-C4'-P energy: -40.246
tors. eta vs tors. theta energy: -67.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -759.097454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.097454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.097454 (E_RNA)
where:
Base-Base interactions energy: -524.332
where: short stacking energy: -219.816
Base-Backbone interact. energy: -1.221
local terms energy: -233.545150
where:
bonds (distance) C4'-P energy: -51.346
bonds (distance) P-C4' energy: -46.451
flat angles C4'-P-C4' energy: -48.550
flat angles P-C4'-P energy: -27.212
tors. eta vs tors. theta energy: -59.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -778.694998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.694998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.694998 (E_RNA)
where:
Base-Base interactions energy: -537.274
where: short stacking energy: -221.038
Base-Backbone interact. energy: -0.246
local terms energy: -241.174870
where:
bonds (distance) C4'-P energy: -48.649
bonds (distance) P-C4' energy: -49.176
flat angles C4'-P-C4' energy: -47.219
flat angles P-C4'-P energy: -32.285
tors. eta vs tors. theta energy: -63.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -707.370832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.370832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.370832 (E_RNA)
where:
Base-Base interactions energy: -494.055
where: short stacking energy: -217.963
Base-Backbone interact. energy: -0.479
local terms energy: -212.837451
where:
bonds (distance) C4'-P energy: -42.316
bonds (distance) P-C4' energy: -43.242
flat angles C4'-P-C4' energy: -45.124
flat angles P-C4'-P energy: -23.683
tors. eta vs tors. theta energy: -58.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -503.150613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.150613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.150613 (E_RNA)
where:
Base-Base interactions energy: -310.636
where: short stacking energy: -127.469
Base-Backbone interact. energy: 0.113
local terms energy: -192.627524
where:
bonds (distance) C4'-P energy: -46.754
bonds (distance) P-C4' energy: -38.894
flat angles C4'-P-C4' energy: -49.440
flat angles P-C4'-P energy: -31.494
tors. eta vs tors. theta energy: -26.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -540.367551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.367551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.367551 (E_RNA)
where:
Base-Base interactions energy: -362.313
where: short stacking energy: -148.648
Base-Backbone interact. energy: 5.535
local terms energy: -183.590075
where:
bonds (distance) C4'-P energy: -36.170
bonds (distance) P-C4' energy: -43.748
flat angles C4'-P-C4' energy: -45.431
flat angles P-C4'-P energy: -29.601
tors. eta vs tors. theta energy: -28.640
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: 7
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -931.548533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.548533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.548533 (E_RNA)
where:
Base-Base interactions energy: -642.156
where: short stacking energy: -266.580
Base-Backbone interact. energy: -1.302
local terms energy: -288.090327
where:
bonds (distance) C4'-P energy: -54.047
bonds (distance) P-C4' energy: -51.118
flat angles C4'-P-C4' energy: -58.865
flat angles P-C4'-P energy: -45.262
tors. eta vs tors. theta energy: -78.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -899.029448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.029448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.029448 (E_RNA)
where:
Base-Base interactions energy: -630.046
where: short stacking energy: -269.548
Base-Backbone interact. energy: -0.398
local terms energy: -268.585284
where:
bonds (distance) C4'-P energy: -47.401
bonds (distance) P-C4' energy: -55.169
flat angles C4'-P-C4' energy: -52.611
flat angles P-C4'-P energy: -39.275
tors. eta vs tors. theta energy: -74.129
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: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -854.177833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.177833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.177833 (E_RNA)
where:
Base-Base interactions energy: -588.288
where: short stacking energy: -246.646
Base-Backbone interact. energy: 2.185
local terms energy: -268.074860
where:
bonds (distance) C4'-P energy: -46.651
bonds (distance) P-C4' energy: -54.817
flat angles C4'-P-C4' energy: -50.902
flat angles P-C4'-P energy: -44.733
tors. eta vs tors. theta energy: -70.972
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: 27
Temperature: 1.050000
Total energy: -801.574926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.574926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.574926 (E_RNA)
where:
Base-Base interactions energy: -557.651
where: short stacking energy: -234.008
Base-Backbone interact. energy: 1.064
local terms energy: -244.987931
where:
bonds (distance) C4'-P energy: -38.974
bonds (distance) P-C4' energy: -49.070
flat angles C4'-P-C4' energy: -56.743
flat angles P-C4'-P energy: -36.645
tors. eta vs tors. theta energy: -63.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -758.990108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.990108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.990108 (E_RNA)
where:
Base-Base interactions energy: -539.895
where: short stacking energy: -213.118
Base-Backbone interact. energy: -0.315
local terms energy: -218.779689
where:
bonds (distance) C4'-P energy: -37.447
bonds (distance) P-C4' energy: -39.385
flat angles C4'-P-C4' energy: -48.175
flat angles P-C4'-P energy: -37.894
tors. eta vs tors. theta energy: -55.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -820.933458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.933458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.933458 (E_RNA)
where:
Base-Base interactions energy: -565.883
where: short stacking energy: -233.880
Base-Backbone interact. energy: -0.137
local terms energy: -254.913000
where:
bonds (distance) C4'-P energy: -50.265
bonds (distance) P-C4' energy: -51.070
flat angles C4'-P-C4' energy: -51.095
flat angles P-C4'-P energy: -37.369
tors. eta vs tors. theta energy: -65.115
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: 7, replica: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -741.211825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.211825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.211825 (E_RNA)
where:
Base-Base interactions energy: -523.544
where: short stacking energy: -215.735
Base-Backbone interact. energy: -0.287
local terms energy: -217.380940
where:
bonds (distance) C4'-P energy: -44.299
bonds (distance) P-C4' energy: -34.040
flat angles C4'-P-C4' energy: -48.168
flat angles P-C4'-P energy: -28.614
tors. eta vs tors. theta energy: -62.261
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: 27
Temperature: 1.250000
Total energy: -673.701304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.701304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.701304 (E_RNA)
where:
Base-Base interactions energy: -471.487
where: short stacking energy: -217.616
Base-Backbone interact. energy: 1.027
local terms energy: -203.241148
where:
bonds (distance) C4'-P energy: -33.132
bonds (distance) P-C4' energy: -45.074
flat angles C4'-P-C4' energy: -34.300
flat angles P-C4'-P energy: -32.472
tors. eta vs tors. theta energy: -58.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -567.499469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.499469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.499469 (E_RNA)
where:
Base-Base interactions energy: -366.921
where: short stacking energy: -156.583
Base-Backbone interact. energy: -0.974
local terms energy: -199.604006
where:
bonds (distance) C4'-P energy: -34.517
bonds (distance) P-C4' energy: -31.993
flat angles C4'-P-C4' energy: -52.900
flat angles P-C4'-P energy: -40.269
tors. eta vs tors. theta energy: -39.925
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: 27
Temperature: 1.350000
Total energy: -567.695822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.695822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.695822 (E_RNA)
where:
Base-Base interactions energy: -378.695
where: short stacking energy: -133.996
Base-Backbone interact. energy: 0.003
local terms energy: -189.003445
where:
bonds (distance) C4'-P energy: -54.095
bonds (distance) P-C4' energy: -46.192
flat angles C4'-P-C4' energy: -34.732
flat angles P-C4'-P energy: -27.495
tors. eta vs tors. theta energy: -26.489
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: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -919.484577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.484577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.484577 (E_RNA)
where:
Base-Base interactions energy: -638.994
where: short stacking energy: -266.084
Base-Backbone interact. energy: -0.532
local terms energy: -279.959101
where:
bonds (distance) C4'-P energy: -54.902
bonds (distance) P-C4' energy: -49.630
flat angles C4'-P-C4' energy: -57.486
flat angles P-C4'-P energy: -41.165
tors. eta vs tors. theta energy: -76.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -900.271433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.271433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.271433 (E_RNA)
where:
Base-Base interactions energy: -615.500
where: short stacking energy: -261.203
Base-Backbone interact. energy: -0.467
local terms energy: -284.304925
where:
bonds (distance) C4'-P energy: -53.466
bonds (distance) P-C4' energy: -57.922
flat angles C4'-P-C4' energy: -57.308
flat angles P-C4'-P energy: -42.004
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: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -862.324238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.324238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.324238 (E_RNA)
where:
Base-Base interactions energy: -598.866
where: short stacking energy: -248.505
Base-Backbone interact. energy: -0.582
local terms energy: -262.876891
where:
bonds (distance) C4'-P energy: -50.599
bonds (distance) P-C4' energy: -53.392
flat angles C4'-P-C4' energy: -60.731
flat angles P-C4'-P energy: -30.325
tors. eta vs tors. theta energy: -67.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -799.166146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.166146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.166146 (E_RNA)
where:
Base-Base interactions energy: -554.135
where: short stacking energy: -226.473
Base-Backbone interact. energy: -1.187
local terms energy: -243.844793
where:
bonds (distance) C4'-P energy: -48.505
bonds (distance) P-C4' energy: -48.090
flat angles C4'-P-C4' energy: -51.068
flat angles P-C4'-P energy: -38.621
tors. eta vs tors. theta energy: -57.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -845.262725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.262725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.262725 (E_RNA)
where:
Base-Base interactions energy: -583.553
where: short stacking energy: -268.913
Base-Backbone interact. energy: -0.285
local terms energy: -261.424106
where:
bonds (distance) C4'-P energy: -48.250
bonds (distance) P-C4' energy: -49.142
flat angles C4'-P-C4' energy: -49.944
flat angles P-C4'-P energy: -37.431
tors. eta vs tors. theta energy: -76.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -776.070085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.070085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.070085 (E_RNA)
where:
Base-Base interactions energy: -552.112
where: short stacking energy: -228.082
Base-Backbone interact. energy: -0.931
local terms energy: -223.026848
where:
bonds (distance) C4'-P energy: -40.984
bonds (distance) P-C4' energy: -43.749
flat angles C4'-P-C4' energy: -44.034
flat angles P-C4'-P energy: -30.920
tors. eta vs tors. theta energy: -63.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -732.811093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.811093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.811093 (E_RNA)
where:
Base-Base interactions energy: -503.456
where: short stacking energy: -222.666
Base-Backbone interact. energy: -0.752
local terms energy: -228.603070
where:
bonds (distance) C4'-P energy: -48.930
bonds (distance) P-C4' energy: -40.858
flat angles C4'-P-C4' energy: -52.811
flat angles P-C4'-P energy: -28.504
tors. eta vs tors. theta energy: -57.500
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: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -644.428353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.428353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.428353 (E_RNA)
where:
Base-Base interactions energy: -425.390
where: short stacking energy: -165.896
Base-Backbone interact. energy: -0.654
local terms energy: -218.383842
where:
bonds (distance) C4'-P energy: -56.785
bonds (distance) P-C4' energy: -46.889
flat angles C4'-P-C4' energy: -49.789
flat angles P-C4'-P energy: -27.379
tors. eta vs tors. theta energy: -37.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -593.625157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.625157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.625157 (E_RNA)
where:
Base-Base interactions energy: -409.425
where: short stacking energy: -169.346
Base-Backbone interact. energy: -0.544
local terms energy: -183.656772
where:
bonds (distance) C4'-P energy: -42.141
bonds (distance) P-C4' energy: -36.632
flat angles C4'-P-C4' energy: -51.876
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -36.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -533.454983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.454983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.454983 (E_RNA)
where:
Base-Base interactions energy: -359.138
where: short stacking energy: -150.509
Base-Backbone interact. energy: 2.476
local terms energy: -176.793103
where:
bonds (distance) C4'-P energy: -30.634
bonds (distance) P-C4' energy: -44.813
flat angles C4'-P-C4' energy: -47.323
flat angles P-C4'-P energy: -25.693
tors. eta vs tors. theta energy: -28.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -931.693636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.693636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.693636 (E_RNA)
where:
Base-Base interactions energy: -649.413
where: short stacking energy: -261.498
Base-Backbone interact. energy: -1.905
local terms energy: -280.376492
where:
bonds (distance) C4'-P energy: -53.253
bonds (distance) P-C4' energy: -50.311
flat angles C4'-P-C4' energy: -60.707
flat angles P-C4'-P energy: -37.447
tors. eta vs tors. theta energy: -78.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -903.344858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.344858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.344858 (E_RNA)
where:
Base-Base interactions energy: -614.734
where: short stacking energy: -264.025
Base-Backbone interact. energy: -2.121
local terms energy: -286.490389
where:
bonds (distance) C4'-P energy: -52.809
bonds (distance) P-C4' energy: -55.789
flat angles C4'-P-C4' energy: -58.645
flat angles P-C4'-P energy: -40.003
tors. eta vs tors. theta energy: -79.244
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: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -867.253689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.253689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.253689 (E_RNA)
where:
Base-Base interactions energy: -597.053
where: short stacking energy: -241.832
Base-Backbone interact. energy: 0.135
local terms energy: -270.336375
where:
bonds (distance) C4'-P energy: -58.976
bonds (distance) P-C4' energy: -52.423
flat angles C4'-P-C4' energy: -60.094
flat angles P-C4'-P energy: -36.327
tors. eta vs tors. theta energy: -62.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -839.602712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.602712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.602712 (E_RNA)
where:
Base-Base interactions energy: -594.483
where: short stacking energy: -256.599
Base-Backbone interact. energy: 1.199
local terms energy: -246.318616
where:
bonds (distance) C4'-P energy: -43.272
bonds (distance) P-C4' energy: -54.445
flat angles C4'-P-C4' energy: -53.121
flat angles P-C4'-P energy: -30.077
tors. eta vs tors. theta energy: -65.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -787.067263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.067263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.067263 (E_RNA)
where:
Base-Base interactions energy: -544.177
where: short stacking energy: -229.695
Base-Backbone interact. energy: -0.394
local terms energy: -242.496771
where:
bonds (distance) C4'-P energy: -47.929
bonds (distance) P-C4' energy: -47.999
flat angles C4'-P-C4' energy: -54.511
flat angles P-C4'-P energy: -26.607
tors. eta vs tors. theta energy: -65.451
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: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -755.322585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.322585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.322585 (E_RNA)
where:
Base-Base interactions energy: -511.686
where: short stacking energy: -229.735
Base-Backbone interact. energy: 0.213
local terms energy: -243.849914
where:
bonds (distance) C4'-P energy: -42.919
bonds (distance) P-C4' energy: -46.568
flat angles C4'-P-C4' energy: -53.899
flat angles P-C4'-P energy: -37.971
tors. eta vs tors. theta energy: -62.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -699.801208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.801208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.801208 (E_RNA)
where:
Base-Base interactions energy: -491.260
where: short stacking energy: -191.448
Base-Backbone interact. energy: -0.533
local terms energy: -208.008931
where:
bonds (distance) C4'-P energy: -33.901
bonds (distance) P-C4' energy: -51.222
flat angles C4'-P-C4' energy: -45.486
flat angles P-C4'-P energy: -32.636
tors. eta vs tors. theta energy: -44.764
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: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -606.390453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.390453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.390453 (E_RNA)
where:
Base-Base interactions energy: -394.085
where: short stacking energy: -158.295
Base-Backbone interact. energy: 0.548
local terms energy: -212.853306
where:
bonds (distance) C4'-P energy: -44.486
bonds (distance) P-C4' energy: -46.624
flat angles C4'-P-C4' energy: -51.792
flat angles P-C4'-P energy: -29.313
tors. eta vs tors. theta energy: -40.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -506.374194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.374194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.374194 (E_RNA)
where:
Base-Base interactions energy: -307.531
where: short stacking energy: -133.023
Base-Backbone interact. energy: -0.711
local terms energy: -198.132735
where:
bonds (distance) C4'-P energy: -49.069
bonds (distance) P-C4' energy: -44.965
flat angles C4'-P-C4' energy: -45.006
flat angles P-C4'-P energy: -35.020
tors. eta vs tors. theta energy: -24.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -565.989630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.989630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.989630 (E_RNA)
where:
Base-Base interactions energy: -357.926
where: short stacking energy: -144.276
Base-Backbone interact. energy: 1.561
local terms energy: -209.624817
where:
bonds (distance) C4'-P energy: -45.583
bonds (distance) P-C4' energy: -48.941
flat angles C4'-P-C4' energy: -57.059
flat angles P-C4'-P energy: -30.568
tors. eta vs tors. theta energy: -27.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -933.010737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.010737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.010737 (E_RNA)
where:
Base-Base interactions energy: -643.118
where: short stacking energy: -274.056
Base-Backbone interact. energy: -1.839
local terms energy: -288.053974
where:
bonds (distance) C4'-P energy: -47.841
bonds (distance) P-C4' energy: -55.743
flat angles C4'-P-C4' energy: -62.672
flat angles P-C4'-P energy: -40.323
tors. eta vs tors. theta energy: -81.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -914.167268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.167268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.167268 (E_RNA)
where:
Base-Base interactions energy: -638.905
where: short stacking energy: -272.721
Base-Backbone interact. energy: -0.501
local terms energy: -274.761274
where:
bonds (distance) C4'-P energy: -55.601
bonds (distance) P-C4' energy: -45.988
flat angles C4'-P-C4' energy: -60.461
flat angles P-C4'-P energy: -34.724
tors. eta vs tors. theta energy: -77.988
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: 30
Temperature: 1.000000
Total energy: -869.791297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.791297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.791297 (E_RNA)
where:
Base-Base interactions energy: -602.199
where: short stacking energy: -271.510
Base-Backbone interact. energy: -0.167
local terms energy: -267.425268
where:
bonds (distance) C4'-P energy: -45.798
bonds (distance) P-C4' energy: -56.739
flat angles C4'-P-C4' energy: -53.252
flat angles P-C4'-P energy: -38.121
tors. eta vs tors. theta energy: -73.516
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: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -817.951567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.951567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.951567 (E_RNA)
where:
Base-Base interactions energy: -551.489
where: short stacking energy: -224.124
Base-Backbone interact. energy: -2.542
local terms energy: -263.920964
where:
bonds (distance) C4'-P energy: -48.017
bonds (distance) P-C4' energy: -55.632
flat angles C4'-P-C4' energy: -56.198
flat angles P-C4'-P energy: -42.582
tors. eta vs tors. theta energy: -61.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -846.384298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.384298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.384298 (E_RNA)
where:
Base-Base interactions energy: -590.035
where: short stacking energy: -241.604
Base-Backbone interact. energy: -1.455
local terms energy: -254.895144
where:
bonds (distance) C4'-P energy: -46.650
bonds (distance) P-C4' energy: -50.384
flat angles C4'-P-C4' energy: -55.210
flat angles P-C4'-P energy: -37.622
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: 6, replica: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -782.922420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.922420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.922420 (E_RNA)
where:
Base-Base interactions energy: -533.648
where: short stacking energy: -231.371
Base-Backbone interact. energy: -1.005
local terms energy: -248.270204
where:
bonds (distance) C4'-P energy: -50.990
bonds (distance) P-C4' energy: -51.771
flat angles C4'-P-C4' energy: -46.978
flat angles P-C4'-P energy: -37.244
tors. eta vs tors. theta energy: -61.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -616.335195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.335195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.335195 (E_RNA)
where:
Base-Base interactions energy: -430.395
where: short stacking energy: -184.145
Base-Backbone interact. energy: -0.489
local terms energy: -185.451320
where:
bonds (distance) C4'-P energy: -38.467
bonds (distance) P-C4' energy: -41.968
flat angles C4'-P-C4' energy: -49.627
flat angles P-C4'-P energy: -19.775
tors. eta vs tors. theta energy: -35.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -711.303519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.303519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.303519 (E_RNA)
where:
Base-Base interactions energy: -467.683
where: short stacking energy: -197.962
Base-Backbone interact. energy: -0.546
local terms energy: -243.074823
where:
bonds (distance) C4'-P energy: -46.389
bonds (distance) P-C4' energy: -52.136
flat angles C4'-P-C4' energy: -48.908
flat angles P-C4'-P energy: -40.984
tors. eta vs tors. theta energy: -54.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -522.642584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.642584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.642584 (E_RNA)
where:
Base-Base interactions energy: -331.376
where: short stacking energy: -136.955
Base-Backbone interact. energy: -1.002
local terms energy: -190.264473
where:
bonds (distance) C4'-P energy: -44.958
bonds (distance) P-C4' energy: -44.493
flat angles C4'-P-C4' energy: -45.921
flat angles P-C4'-P energy: -28.717
tors. eta vs tors. theta energy: -26.176
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: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -505.862764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.862764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.862764 (E_RNA)
where:
Base-Base interactions energy: -323.359
where: short stacking energy: -128.726
Base-Backbone interact. energy: 0.101
local terms energy: -182.604793
where:
bonds (distance) C4'-P energy: -45.636
bonds (distance) P-C4' energy: -46.039
flat angles C4'-P-C4' energy: -40.540
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -28.562
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: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -920.125828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.125828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.125828 (E_RNA)
where:
Base-Base interactions energy: -637.412
where: short stacking energy: -273.427
Base-Backbone interact. energy: -1.008
local terms energy: -281.705476
where:
bonds (distance) C4'-P energy: -53.200
bonds (distance) P-C4' energy: -51.872
flat angles C4'-P-C4' energy: -57.104
flat angles P-C4'-P energy: -40.047
tors. eta vs tors. theta energy: -79.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -885.211288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.211288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.211288 (E_RNA)
where:
Base-Base interactions energy: -605.866
where: short stacking energy: -260.426
Base-Backbone interact. energy: -1.222
local terms energy: -278.123604
where:
bonds (distance) C4'-P energy: -50.196
bonds (distance) P-C4' energy: -58.597
flat angles C4'-P-C4' energy: -54.345
flat angles P-C4'-P energy: -44.487
tors. eta vs tors. theta energy: -70.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -883.011306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.011306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.011306 (E_RNA)
where:
Base-Base interactions energy: -602.987
where: short stacking energy: -265.231
Base-Backbone interact. energy: 0.196
local terms energy: -280.220053
where:
bonds (distance) C4'-P energy: -43.275
bonds (distance) P-C4' energy: -53.829
flat angles C4'-P-C4' energy: -66.202
flat angles P-C4'-P energy: -43.707
tors. eta vs tors. theta energy: -73.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -856.809821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.809821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.809821 (E_RNA)
where:
Base-Base interactions energy: -585.071
where: short stacking energy: -256.167
Base-Backbone interact. energy: -1.870
local terms energy: -269.868706
where:
bonds (distance) C4'-P energy: -53.292
bonds (distance) P-C4' energy: -52.706
flat angles C4'-P-C4' energy: -55.118
flat angles P-C4'-P energy: -33.082
tors. eta vs tors. theta energy: -75.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -802.885903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.885903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.885903 (E_RNA)
where:
Base-Base interactions energy: -561.308
where: short stacking energy: -242.386
Base-Backbone interact. energy: -0.737
local terms energy: -240.840306
where:
bonds (distance) C4'-P energy: -42.729
bonds (distance) P-C4' energy: -41.187
flat angles C4'-P-C4' energy: -56.696
flat angles P-C4'-P energy: -35.417
tors. eta vs tors. theta energy: -64.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -748.410266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.410266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.410266 (E_RNA)
where:
Base-Base interactions energy: -510.492
where: short stacking energy: -217.514
Base-Backbone interact. energy: 2.990
local terms energy: -240.908114
where:
bonds (distance) C4'-P energy: -46.872
bonds (distance) P-C4' energy: -51.122
flat angles C4'-P-C4' energy: -52.905
flat angles P-C4'-P energy: -33.546
tors. eta vs tors. theta energy: -56.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -662.279770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.279770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.279770 (E_RNA)
where:
Base-Base interactions energy: -435.791
where: short stacking energy: -196.272
Base-Backbone interact. energy: -1.193
local terms energy: -225.296223
where:
bonds (distance) C4'-P energy: -39.600
bonds (distance) P-C4' energy: -48.184
flat angles C4'-P-C4' energy: -45.813
flat angles P-C4'-P energy: -42.276
tors. eta vs tors. theta energy: -49.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -725.435875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.435875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.435875 (E_RNA)
where:
Base-Base interactions energy: -487.332
where: short stacking energy: -204.205
Base-Backbone interact. energy: -0.500
local terms energy: -237.603648
where:
bonds (distance) C4'-P energy: -41.349
bonds (distance) P-C4' energy: -47.906
flat angles C4'-P-C4' energy: -54.610
flat angles P-C4'-P energy: -33.354
tors. eta vs tors. theta energy: -60.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -546.014379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.014379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.014379 (E_RNA)
where:
Base-Base interactions energy: -361.985
where: short stacking energy: -164.742
Base-Backbone interact. energy: 1.005
local terms energy: -185.034127
where:
bonds (distance) C4'-P energy: -45.106
bonds (distance) P-C4' energy: -43.302
flat angles C4'-P-C4' energy: -38.074
flat angles P-C4'-P energy: -29.708
tors. eta vs tors. theta energy: -28.844
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: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -581.947370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.947370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.947370 (E_RNA)
where:
Base-Base interactions energy: -380.443
where: short stacking energy: -169.503
Base-Backbone interact. energy: -0.507
local terms energy: -200.997985
where:
bonds (distance) C4'-P energy: -45.192
bonds (distance) P-C4' energy: -36.766
flat angles C4'-P-C4' energy: -50.026
flat angles P-C4'-P energy: -29.944
tors. eta vs tors. theta energy: -39.070
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: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -921.716329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.716329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.716329 (E_RNA)
where:
Base-Base interactions energy: -642.242
where: short stacking energy: -275.362
Base-Backbone interact. energy: -1.064
local terms energy: -278.410462
where:
bonds (distance) C4'-P energy: -51.482
bonds (distance) P-C4' energy: -54.195
flat angles C4'-P-C4' energy: -62.816
flat angles P-C4'-P energy: -41.331
tors. eta vs tors. theta energy: -68.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -889.474655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.474655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.474655 (E_RNA)
where:
Base-Base interactions energy: -605.331
where: short stacking energy: -258.748
Base-Backbone interact. energy: -1.716
local terms energy: -282.426961
where:
bonds (distance) C4'-P energy: -52.401
bonds (distance) P-C4' energy: -48.096
flat angles C4'-P-C4' energy: -58.662
flat angles P-C4'-P energy: -44.068
tors. eta vs tors. theta energy: -79.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -899.582548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.582548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.582548 (E_RNA)
where:
Base-Base interactions energy: -626.366
where: short stacking energy: -255.301
Base-Backbone interact. energy: -0.551
local terms energy: -272.664701
where:
bonds (distance) C4'-P energy: -41.374
bonds (distance) P-C4' energy: -50.990
flat angles C4'-P-C4' energy: -58.973
flat angles P-C4'-P energy: -40.546
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: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -871.309237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.309237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.309237 (E_RNA)
where:
Base-Base interactions energy: -625.144
where: short stacking energy: -236.987
Base-Backbone interact. energy: 6.102
local terms energy: -252.267495
where:
bonds (distance) C4'-P energy: -48.328
bonds (distance) P-C4' energy: -46.232
flat angles C4'-P-C4' energy: -50.242
flat angles P-C4'-P energy: -36.314
tors. eta vs tors. theta energy: -71.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -790.708917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.708917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.708917 (E_RNA)
where:
Base-Base interactions energy: -567.460
where: short stacking energy: -225.942
Base-Backbone interact. energy: -0.601
local terms energy: -222.648219
where:
bonds (distance) C4'-P energy: -45.069
bonds (distance) P-C4' energy: -43.656
flat angles C4'-P-C4' energy: -51.161
flat angles P-C4'-P energy: -30.813
tors. eta vs tors. theta energy: -51.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -782.672323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.672323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.672323 (E_RNA)
where:
Base-Base interactions energy: -549.855
where: short stacking energy: -219.157
Base-Backbone interact. energy: -0.267
local terms energy: -232.550090
where:
bonds (distance) C4'-P energy: -38.612
bonds (distance) P-C4' energy: -48.190
flat angles C4'-P-C4' energy: -49.549
flat angles P-C4'-P energy: -32.885
tors. eta vs tors. theta energy: -63.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -726.645329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.645329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.645329 (E_RNA)
where:
Base-Base interactions energy: -481.748
where: short stacking energy: -209.998
Base-Backbone interact. energy: -0.893
local terms energy: -244.004190
where:
bonds (distance) C4'-P energy: -42.262
bonds (distance) P-C4' energy: -44.341
flat angles C4'-P-C4' energy: -56.302
flat angles P-C4'-P energy: -34.446
tors. eta vs tors. theta energy: -66.654
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: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -599.409674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.409674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.409674 (E_RNA)
where:
Base-Base interactions energy: -399.117
where: short stacking energy: -159.101
Base-Backbone interact. energy: -1.653
local terms energy: -198.639979
where:
bonds (distance) C4'-P energy: -38.509
bonds (distance) P-C4' energy: -49.672
flat angles C4'-P-C4' energy: -46.618
flat angles P-C4'-P energy: -32.563
tors. eta vs tors. theta energy: -31.278
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: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -539.660804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.660804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.660804 (E_RNA)
where:
Base-Base interactions energy: -342.958
where: short stacking energy: -153.359
Base-Backbone interact. energy: -0.601
local terms energy: -196.102016
where:
bonds (distance) C4'-P energy: -41.869
bonds (distance) P-C4' energy: -50.789
flat angles C4'-P-C4' energy: -45.189
flat angles P-C4'-P energy: -29.074
tors. eta vs tors. theta energy: -29.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -542.083050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.083050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.083050 (E_RNA)
where:
Base-Base interactions energy: -358.137
where: short stacking energy: -152.114
Base-Backbone interact. energy: -0.499
local terms energy: -183.446664
where:
bonds (distance) C4'-P energy: -45.008
bonds (distance) P-C4' energy: -46.629
flat angles C4'-P-C4' energy: -37.206
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: -33.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -913.984067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.984067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.984067 (E_RNA)
where:
Base-Base interactions energy: -624.210
where: short stacking energy: -271.132
Base-Backbone interact. energy: -2.495
local terms energy: -287.278420
where:
bonds (distance) C4'-P energy: -47.982
bonds (distance) P-C4' energy: -52.972
flat angles C4'-P-C4' energy: -62.903
flat angles P-C4'-P energy: -45.302
tors. eta vs tors. theta energy: -78.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -949.862941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.862941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.862941 (E_RNA)
where:
Base-Base interactions energy: -650.611
where: short stacking energy: -271.229
Base-Backbone interact. energy: 0.185
local terms energy: -299.436339
where:
bonds (distance) C4'-P energy: -57.606
bonds (distance) P-C4' energy: -58.827
flat angles C4'-P-C4' energy: -55.206
flat angles P-C4'-P energy: -46.048
tors. eta vs tors. theta energy: -81.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -858.719764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.719764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.719764 (E_RNA)
where:
Base-Base interactions energy: -587.243
where: short stacking energy: -244.007
Base-Backbone interact. energy: 0.821
local terms energy: -272.297761
where:
bonds (distance) C4'-P energy: -59.726
bonds (distance) P-C4' energy: -51.524
flat angles C4'-P-C4' energy: -56.552
flat angles P-C4'-P energy: -38.836
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: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -851.870447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.870447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.870447 (E_RNA)
where:
Base-Base interactions energy: -595.019
where: short stacking energy: -244.100
Base-Backbone interact. energy: 0.376
local terms energy: -257.226772
where:
bonds (distance) C4'-P energy: -47.944
bonds (distance) P-C4' energy: -58.685
flat angles C4'-P-C4' energy: -51.544
flat angles P-C4'-P energy: -34.968
tors. eta vs tors. theta energy: -64.087
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: 1
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -793.738689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.738689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.738689 (E_RNA)
where:
Base-Base interactions energy: -543.320
where: short stacking energy: -220.751
Base-Backbone interact. energy: -0.785
local terms energy: -249.633506
where:
bonds (distance) C4'-P energy: -49.449
bonds (distance) P-C4' energy: -51.921
flat angles C4'-P-C4' energy: -58.093
flat angles P-C4'-P energy: -42.403
tors. eta vs tors. theta energy: -47.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -749.248946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.248946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.248946 (E_RNA)
where:
Base-Base interactions energy: -511.349
where: short stacking energy: -211.971
Base-Backbone interact. energy: -2.130
local terms energy: -235.769723
where:
bonds (distance) C4'-P energy: -41.904
bonds (distance) P-C4' energy: -46.216
flat angles C4'-P-C4' energy: -56.288
flat angles P-C4'-P energy: -23.035
tors. eta vs tors. theta energy: -68.326
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: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -756.893660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.893660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.893660 (E_RNA)
where:
Base-Base interactions energy: -522.343
where: short stacking energy: -207.879
Base-Backbone interact. energy: 1.843
local terms energy: -236.393509
where:
bonds (distance) C4'-P energy: -48.032
bonds (distance) P-C4' energy: -46.157
flat angles C4'-P-C4' energy: -47.748
flat angles P-C4'-P energy: -42.619
tors. eta vs tors. theta energy: -51.838
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: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -573.636950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.636950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.636950 (E_RNA)
where:
Base-Base interactions energy: -359.947
where: short stacking energy: -155.738
Base-Backbone interact. energy: 0.935
local terms energy: -214.624510
where:
bonds (distance) C4'-P energy: -50.720
bonds (distance) P-C4' energy: -58.318
flat angles C4'-P-C4' energy: -45.672
flat angles P-C4'-P energy: -26.216
tors. eta vs tors. theta energy: -33.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -573.967162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.967162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.967162 (E_RNA)
where:
Base-Base interactions energy: -370.080
where: short stacking energy: -172.448
Base-Backbone interact. energy: 2.153
local terms energy: -206.040032
where:
bonds (distance) C4'-P energy: -41.147
bonds (distance) P-C4' energy: -48.175
flat angles C4'-P-C4' energy: -49.805
flat angles P-C4'-P energy: -35.303
tors. eta vs tors. theta energy: -31.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -541.960898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.960898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.960898 (E_RNA)
where:
Base-Base interactions energy: -339.578
where: short stacking energy: -143.113
Base-Backbone interact. energy: -0.949
local terms energy: -201.433311
where:
bonds (distance) C4'-P energy: -47.020
bonds (distance) P-C4' energy: -41.852
flat angles C4'-P-C4' energy: -46.142
flat angles P-C4'-P energy: -32.101
tors. eta vs tors. theta energy: -34.317
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: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -912.993404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.993404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.993404 (E_RNA)
where:
Base-Base interactions energy: -622.702
where: short stacking energy: -277.367
Base-Backbone interact. energy: -1.146
local terms energy: -289.145673
where:
bonds (distance) C4'-P energy: -56.848
bonds (distance) P-C4' energy: -51.175
flat angles C4'-P-C4' energy: -59.978
flat angles P-C4'-P energy: -44.392
tors. eta vs tors. theta energy: -76.753
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: 9
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -917.063707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.063707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.063707 (E_RNA)
where:
Base-Base interactions energy: -656.756
where: short stacking energy: -277.880
Base-Backbone interact. energy: 0.357
local terms energy: -260.664106
where:
bonds (distance) C4'-P energy: -48.332
bonds (distance) P-C4' energy: -43.879
flat angles C4'-P-C4' energy: -54.442
flat angles P-C4'-P energy: -32.491
tors. eta vs tors. theta energy: -81.520
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: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -861.731180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.731180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.731180 (E_RNA)
where:
Base-Base interactions energy: -603.884
where: short stacking energy: -255.900
Base-Backbone interact. energy: -0.283
local terms energy: -257.563293
where:
bonds (distance) C4'-P energy: -49.719
bonds (distance) P-C4' energy: -39.781
flat angles C4'-P-C4' energy: -54.648
flat angles P-C4'-P energy: -39.266
tors. eta vs tors. theta energy: -74.149
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: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -868.901263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.901263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.901263 (E_RNA)
where:
Base-Base interactions energy: -601.941
where: short stacking energy: -247.947
Base-Backbone interact. energy: -0.530
local terms energy: -266.429969
where:
bonds (distance) C4'-P energy: -57.640
bonds (distance) P-C4' energy: -45.456
flat angles C4'-P-C4' energy: -55.604
flat angles P-C4'-P energy: -40.596
tors. eta vs tors. theta energy: -67.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -761.326969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.326969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.326969 (E_RNA)
where:
Base-Base interactions energy: -518.965
where: short stacking energy: -224.899
Base-Backbone interact. energy: -1.655
local terms energy: -240.707315
where:
bonds (distance) C4'-P energy: -48.828
bonds (distance) P-C4' energy: -43.309
flat angles C4'-P-C4' energy: -49.867
flat angles P-C4'-P energy: -34.676
tors. eta vs tors. theta energy: -64.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -763.864122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.864122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.864122 (E_RNA)
where:
Base-Base interactions energy: -551.008
where: short stacking energy: -219.306
Base-Backbone interact. energy: -2.916
local terms energy: -209.940520
where:
bonds (distance) C4'-P energy: -41.930
bonds (distance) P-C4' energy: -45.920
flat angles C4'-P-C4' energy: -45.234
flat angles P-C4'-P energy: -23.718
tors. eta vs tors. theta energy: -53.138
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: 2
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -732.404510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.404510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.404510 (E_RNA)
where:
Base-Base interactions energy: -528.792
where: short stacking energy: -220.022
Base-Backbone interact. energy: 0.565
local terms energy: -204.177912
where:
bonds (distance) C4'-P energy: -32.248
bonds (distance) P-C4' energy: -36.013
flat angles C4'-P-C4' energy: -42.140
flat angles P-C4'-P energy: -39.446
tors. eta vs tors. theta energy: -54.331
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: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -589.531375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.531375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.531375 (E_RNA)
where:
Base-Base interactions energy: -385.017
where: short stacking energy: -170.158
Base-Backbone interact. energy: 1.280
local terms energy: -205.794499
where:
bonds (distance) C4'-P energy: -49.379
bonds (distance) P-C4' energy: -45.263
flat angles C4'-P-C4' energy: -48.558
flat angles P-C4'-P energy: -29.918
tors. eta vs tors. theta energy: -32.676
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: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -579.169202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.169202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.169202 (E_RNA)
where:
Base-Base interactions energy: -387.856
where: short stacking energy: -159.743
Base-Backbone interact. energy: -1.464
local terms energy: -189.848592
where:
bonds (distance) C4'-P energy: -43.969
bonds (distance) P-C4' energy: -45.934
flat angles C4'-P-C4' energy: -44.299
flat angles P-C4'-P energy: -28.960
tors. eta vs tors. theta energy: -26.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -566.014588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.014588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.014588 (E_RNA)
where:
Base-Base interactions energy: -382.734
where: short stacking energy: -153.839
Base-Backbone interact. energy: 4.228
local terms energy: -187.508816
where:
bonds (distance) C4'-P energy: -42.373
bonds (distance) P-C4' energy: -40.573
flat angles C4'-P-C4' energy: -46.267
flat angles P-C4'-P energy: -33.230
tors. eta vs tors. theta energy: -25.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -930.116337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.116337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.116337 (E_RNA)
where:
Base-Base interactions energy: -649.363
where: short stacking energy: -287.578
Base-Backbone interact. energy: 0.723
local terms energy: -281.476577
where:
bonds (distance) C4'-P energy: -45.804
bonds (distance) P-C4' energy: -46.609
flat angles C4'-P-C4' energy: -62.848
flat angles P-C4'-P energy: -49.436
tors. eta vs tors. theta energy: -76.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -922.445584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.445584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.445584 (E_RNA)
where:
Base-Base interactions energy: -642.161
where: short stacking energy: -275.384
Base-Backbone interact. energy: -1.092
local terms energy: -279.191736
where:
bonds (distance) C4'-P energy: -55.854
bonds (distance) P-C4' energy: -56.001
flat angles C4'-P-C4' energy: -54.733
flat angles P-C4'-P energy: -40.191
tors. eta vs tors. theta energy: -72.413
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: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -862.406411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.406411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.406411 (E_RNA)
where:
Base-Base interactions energy: -590.297
where: short stacking energy: -258.132
Base-Backbone interact. energy: -1.636
local terms energy: -270.473737
where:
bonds (distance) C4'-P energy: -46.889
bonds (distance) P-C4' energy: -54.888
flat angles C4'-P-C4' energy: -58.841
flat angles P-C4'-P energy: -38.625
tors. eta vs tors. theta energy: -71.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -866.070095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.070095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.070095 (E_RNA)
where:
Base-Base interactions energy: -609.477
where: short stacking energy: -251.944
Base-Backbone interact. energy: -2.870
local terms energy: -253.723268
where:
bonds (distance) C4'-P energy: -48.406
bonds (distance) P-C4' energy: -43.329
flat angles C4'-P-C4' energy: -52.686
flat angles P-C4'-P energy: -41.086
tors. eta vs tors. theta energy: -68.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -782.855613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.855613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.855613 (E_RNA)
where:
Base-Base interactions energy: -544.917
where: short stacking energy: -234.678
Base-Backbone interact. energy: -0.872
local terms energy: -237.066521
where:
bonds (distance) C4'-P energy: -43.844
bonds (distance) P-C4' energy: -41.965
flat angles C4'-P-C4' energy: -60.910
flat angles P-C4'-P energy: -32.314
tors. eta vs tors. theta energy: -58.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -792.179594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.179594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.179594 (E_RNA)
where:
Base-Base interactions energy: -558.355
where: short stacking energy: -218.465
Base-Backbone interact. energy: -1.470
local terms energy: -232.354889
where:
bonds (distance) C4'-P energy: -52.317
bonds (distance) P-C4' energy: -51.271
flat angles C4'-P-C4' energy: -44.332
flat angles P-C4'-P energy: -33.111
tors. eta vs tors. theta energy: -51.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -728.985896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.985896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.985896 (E_RNA)
where:
Base-Base interactions energy: -496.867
where: short stacking energy: -218.684
Base-Backbone interact. energy: -2.446
local terms energy: -229.673488
where:
bonds (distance) C4'-P energy: -31.215
bonds (distance) P-C4' energy: -52.989
flat angles C4'-P-C4' energy: -51.668
flat angles P-C4'-P energy: -32.549
tors. eta vs tors. theta energy: -61.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -596.633460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.633460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.633460 (E_RNA)
where:
Base-Base interactions energy: -383.173
where: short stacking energy: -175.035
Base-Backbone interact. energy: -0.265
local terms energy: -213.195366
where:
bonds (distance) C4'-P energy: -49.694
bonds (distance) P-C4' energy: -38.629
flat angles C4'-P-C4' energy: -40.786
flat angles P-C4'-P energy: -30.273
tors. eta vs tors. theta energy: -53.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -647.362631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.362631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.362631 (E_RNA)
where:
Base-Base interactions energy: -434.281
where: short stacking energy: -177.804
Base-Backbone interact. energy: -0.531
local terms energy: -212.550512
where:
bonds (distance) C4'-P energy: -28.356
bonds (distance) P-C4' energy: -56.985
flat angles C4'-P-C4' energy: -46.880
flat angles P-C4'-P energy: -29.613
tors. eta vs tors. theta energy: -50.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -602.130819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.130819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.130819 (E_RNA)
where:
Base-Base interactions energy: -401.483
where: short stacking energy: -160.256
Base-Backbone interact. energy: -2.097
local terms energy: -198.550298
where:
bonds (distance) C4'-P energy: -48.970
bonds (distance) P-C4' energy: -41.628
flat angles C4'-P-C4' energy: -42.483
flat angles P-C4'-P energy: -31.707
tors. eta vs tors. theta energy: -33.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -948.808371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.808371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.808371 (E_RNA)
where:
Base-Base interactions energy: -663.286
where: short stacking energy: -274.489
Base-Backbone interact. energy: -0.294
local terms energy: -285.228599
where:
bonds (distance) C4'-P energy: -55.521
bonds (distance) P-C4' energy: -59.090
flat angles C4'-P-C4' energy: -60.884
flat angles P-C4'-P energy: -33.050
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: 2, replica: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -888.481531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.481531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.481531 (E_RNA)
where:
Base-Base interactions energy: -604.088
where: short stacking energy: -279.073
Base-Backbone interact. energy: -1.320
local terms energy: -283.073835
where:
bonds (distance) C4'-P energy: -53.181
bonds (distance) P-C4' energy: -58.393
flat angles C4'-P-C4' energy: -63.204
flat angles P-C4'-P energy: -36.716
tors. eta vs tors. theta energy: -71.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -891.302184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.302184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.302184 (E_RNA)
where:
Base-Base interactions energy: -615.248
where: short stacking energy: -274.562
Base-Backbone interact. energy: 1.266
local terms energy: -277.319946
where:
bonds (distance) C4'-P energy: -52.570
bonds (distance) P-C4' energy: -45.164
flat angles C4'-P-C4' energy: -60.164
flat angles P-C4'-P energy: -38.171
tors. eta vs tors. theta energy: -81.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -864.367894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.367894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.367894 (E_RNA)
where:
Base-Base interactions energy: -611.476
where: short stacking energy: -246.698
Base-Backbone interact. energy: 1.913
local terms energy: -254.804077
where:
bonds (distance) C4'-P energy: -50.658
bonds (distance) P-C4' energy: -50.637
flat angles C4'-P-C4' energy: -54.781
flat angles P-C4'-P energy: -36.780
tors. eta vs tors. theta energy: -61.949
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: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -812.427057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.427057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.427057 (E_RNA)
where:
Base-Base interactions energy: -575.866
where: short stacking energy: -231.443
Base-Backbone interact. energy: -1.085
local terms energy: -235.475514
where:
bonds (distance) C4'-P energy: -51.164
bonds (distance) P-C4' energy: -37.316
flat angles C4'-P-C4' energy: -51.635
flat angles P-C4'-P energy: -35.273
tors. eta vs tors. theta energy: -60.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -763.634269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.634269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.634269 (E_RNA)
where:
Base-Base interactions energy: -526.121
where: short stacking energy: -226.167
Base-Backbone interact. energy: -0.487
local terms energy: -237.025789
where:
bonds (distance) C4'-P energy: -47.376
bonds (distance) P-C4' energy: -48.101
flat angles C4'-P-C4' energy: -54.819
flat angles P-C4'-P energy: -34.005
tors. eta vs tors. theta energy: -52.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -727.206549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.206549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.206549 (E_RNA)
where:
Base-Base interactions energy: -508.034
where: short stacking energy: -198.882
Base-Backbone interact. energy: 1.072
local terms energy: -220.244107
where:
bonds (distance) C4'-P energy: -42.049
bonds (distance) P-C4' energy: -44.667
flat angles C4'-P-C4' energy: -52.884
flat angles P-C4'-P energy: -32.009
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: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -605.752436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.752436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.752436 (E_RNA)
where:
Base-Base interactions energy: -383.838
where: short stacking energy: -161.085
Base-Backbone interact. energy: 1.076
local terms energy: -222.990283
where:
bonds (distance) C4'-P energy: -46.066
bonds (distance) P-C4' energy: -40.644
flat angles C4'-P-C4' energy: -56.550
flat angles P-C4'-P energy: -35.237
tors. eta vs tors. theta energy: -44.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -639.468783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.468783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.468783 (E_RNA)
where:
Base-Base interactions energy: -424.385
where: short stacking energy: -183.474
Base-Backbone interact. energy: -0.779
local terms energy: -214.304148
where:
bonds (distance) C4'-P energy: -54.970
bonds (distance) P-C4' energy: -41.170
flat angles C4'-P-C4' energy: -45.862
flat angles P-C4'-P energy: -27.583
tors. eta vs tors. theta energy: -44.719
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: 36
Temperature: 1.350000
Total energy: -620.393207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.393207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.393207 (E_RNA)
where:
Base-Base interactions energy: -416.292
where: short stacking energy: -161.974
Base-Backbone interact. energy: 6.530
local terms energy: -210.631210
where:
bonds (distance) C4'-P energy: -53.043
bonds (distance) P-C4' energy: -47.167
flat angles C4'-P-C4' energy: -36.849
flat angles P-C4'-P energy: -31.163
tors. eta vs tors. theta energy: -42.410
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: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -956.710142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.710142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.710142 (E_RNA)
where:
Base-Base interactions energy: -660.822
where: short stacking energy: -280.887
Base-Backbone interact. energy: -0.132
local terms energy: -295.756442
where:
bonds (distance) C4'-P energy: -51.675
bonds (distance) P-C4' energy: -50.014
flat angles C4'-P-C4' energy: -63.393
flat angles P-C4'-P energy: -42.457
tors. eta vs tors. theta energy: -88.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -906.656240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.656240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.656240 (E_RNA)
where:
Base-Base interactions energy: -622.439
where: short stacking energy: -278.309
Base-Backbone interact. energy: -0.464
local terms energy: -283.753759
where:
bonds (distance) C4'-P energy: -48.589
bonds (distance) P-C4' energy: -51.440
flat angles C4'-P-C4' energy: -62.073
flat angles P-C4'-P energy: -38.711
tors. eta vs tors. theta energy: -82.941
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: 7
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -850.705155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.705155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.705155 (E_RNA)
where:
Base-Base interactions energy: -599.557
where: short stacking energy: -252.232
Base-Backbone interact. energy: -1.087
local terms energy: -250.060584
where:
bonds (distance) C4'-P energy: -47.973
bonds (distance) P-C4' energy: -53.948
flat angles C4'-P-C4' energy: -49.566
flat angles P-C4'-P energy: -30.639
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: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -846.794447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.794447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.794447 (E_RNA)
where:
Base-Base interactions energy: -594.756
where: short stacking energy: -243.327
Base-Backbone interact. energy: -0.241
local terms energy: -251.797233
where:
bonds (distance) C4'-P energy: -46.128
bonds (distance) P-C4' energy: -50.050
flat angles C4'-P-C4' energy: -53.894
flat angles P-C4'-P energy: -34.287
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: 5, replica: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -824.298240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.298240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.298240 (E_RNA)
where:
Base-Base interactions energy: -583.637
where: short stacking energy: -222.576
Base-Backbone interact. energy: 1.106
local terms energy: -241.767880
where:
bonds (distance) C4'-P energy: -43.790
bonds (distance) P-C4' energy: -47.571
flat angles C4'-P-C4' energy: -57.702
flat angles P-C4'-P energy: -39.231
tors. eta vs tors. theta energy: -53.474
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: 37
Temperature: 1.150000
Total energy: -745.209871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.209871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.209871 (E_RNA)
where:
Base-Base interactions energy: -510.617
where: short stacking energy: -217.690
Base-Backbone interact. energy: 1.407
local terms energy: -236.000191
where:
bonds (distance) C4'-P energy: -40.903
bonds (distance) P-C4' energy: -45.105
flat angles C4'-P-C4' energy: -54.421
flat angles P-C4'-P energy: -38.189
tors. eta vs tors. theta energy: -57.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -730.008392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.008392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.008392 (E_RNA)
where:
Base-Base interactions energy: -500.009
where: short stacking energy: -227.261
Base-Backbone interact. energy: 1.093
local terms energy: -231.092366
where:
bonds (distance) C4'-P energy: -42.428
bonds (distance) P-C4' energy: -43.552
flat angles C4'-P-C4' energy: -48.048
flat angles P-C4'-P energy: -41.909
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: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -637.885211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.885211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.885211 (E_RNA)
where:
Base-Base interactions energy: -437.604
where: short stacking energy: -181.855
Base-Backbone interact. energy: 1.258
local terms energy: -201.539824
where:
bonds (distance) C4'-P energy: -44.315
bonds (distance) P-C4' energy: -38.647
flat angles C4'-P-C4' energy: -41.971
flat angles P-C4'-P energy: -35.201
tors. eta vs tors. theta energy: -41.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -615.923849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.923849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.923849 (E_RNA)
where:
Base-Base interactions energy: -406.728
where: short stacking energy: -188.700
Base-Backbone interact. energy: 0.700
local terms energy: -209.896035
where:
bonds (distance) C4'-P energy: -27.593
bonds (distance) P-C4' energy: -52.452
flat angles C4'-P-C4' energy: -54.213
flat angles P-C4'-P energy: -25.089
tors. eta vs tors. theta energy: -50.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -590.908433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.908433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.908433 (E_RNA)
where:
Base-Base interactions energy: -390.082
where: short stacking energy: -173.503
Base-Backbone interact. energy: -0.696
local terms energy: -200.130589
where:
bonds (distance) C4'-P energy: -41.298
bonds (distance) P-C4' energy: -42.750
flat angles C4'-P-C4' energy: -47.031
flat angles P-C4'-P energy: -29.929
tors. eta vs tors. theta energy: -39.123
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: 9
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -962.414442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.414442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.414442 (E_RNA)
where:
Base-Base interactions energy: -664.654
where: short stacking energy: -288.775
Base-Backbone interact. energy: -0.390
local terms energy: -297.370449
where:
bonds (distance) C4'-P energy: -54.003
bonds (distance) P-C4' energy: -55.751
flat angles C4'-P-C4' energy: -66.421
flat angles P-C4'-P energy: -40.740
tors. eta vs tors. theta energy: -80.455
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: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -893.103294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.103294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.103294 (E_RNA)
where:
Base-Base interactions energy: -615.279
where: short stacking energy: -266.567
Base-Backbone interact. energy: -0.748
local terms energy: -277.077167
where:
bonds (distance) C4'-P energy: -47.754
bonds (distance) P-C4' energy: -54.284
flat angles C4'-P-C4' energy: -65.085
flat angles P-C4'-P energy: -37.912
tors. eta vs tors. theta energy: -72.042
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: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -872.367529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.367529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.367529 (E_RNA)
where:
Base-Base interactions energy: -601.494
where: short stacking energy: -245.815
Base-Backbone interact. energy: 0.538
local terms energy: -271.411817
where:
bonds (distance) C4'-P energy: -46.115
bonds (distance) P-C4' energy: -59.784
flat angles C4'-P-C4' energy: -61.640
flat angles P-C4'-P energy: -39.364
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: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -844.428202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.428202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.428202 (E_RNA)
where:
Base-Base interactions energy: -579.718
where: short stacking energy: -236.666
Base-Backbone interact. energy: -0.389
local terms energy: -264.320786
where:
bonds (distance) C4'-P energy: -44.186
bonds (distance) P-C4' energy: -56.819
flat angles C4'-P-C4' energy: -58.504
flat angles P-C4'-P energy: -40.846
tors. eta vs tors. theta energy: -63.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -823.736708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.736708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.736708 (E_RNA)
where:
Base-Base interactions energy: -566.207
where: short stacking energy: -221.563
Base-Backbone interact. energy: -0.356
local terms energy: -257.174057
where:
bonds (distance) C4'-P energy: -46.019
bonds (distance) P-C4' energy: -54.899
flat angles C4'-P-C4' energy: -54.158
flat angles P-C4'-P energy: -38.999
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: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -737.673278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.673278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.673278 (E_RNA)
where:
Base-Base interactions energy: -513.115
where: short stacking energy: -208.966
Base-Backbone interact. energy: -0.612
local terms energy: -223.946554
where:
bonds (distance) C4'-P energy: -36.498
bonds (distance) P-C4' energy: -36.105
flat angles C4'-P-C4' energy: -53.363
flat angles P-C4'-P energy: -42.286
tors. eta vs tors. theta energy: -55.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -754.576062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.576062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.576062 (E_RNA)
where:
Base-Base interactions energy: -529.201
where: short stacking energy: -216.902
Base-Backbone interact. energy: 0.216
local terms energy: -225.591747
where:
bonds (distance) C4'-P energy: -41.517
bonds (distance) P-C4' energy: -44.775
flat angles C4'-P-C4' energy: -52.558
flat angles P-C4'-P energy: -29.679
tors. eta vs tors. theta energy: -57.063
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: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -663.696983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.696983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.696983 (E_RNA)
where:
Base-Base interactions energy: -456.851
where: short stacking energy: -194.267
Base-Backbone interact. energy: 0.987
local terms energy: -207.833053
where:
bonds (distance) C4'-P energy: -39.703
bonds (distance) P-C4' energy: -31.038
flat angles C4'-P-C4' energy: -49.299
flat angles P-C4'-P energy: -33.859
tors. eta vs tors. theta energy: -53.934
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: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -562.107013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.107013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.107013 (E_RNA)
where:
Base-Base interactions energy: -379.909
where: short stacking energy: -147.929
Base-Backbone interact. energy: -1.029
local terms energy: -181.169090
where:
bonds (distance) C4'-P energy: -37.609
bonds (distance) P-C4' energy: -36.694
flat angles C4'-P-C4' energy: -43.857
flat angles P-C4'-P energy: -34.095
tors. eta vs tors. theta energy: -28.914
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: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -585.645866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.645866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.645866 (E_RNA)
where:
Base-Base interactions energy: -389.701
where: short stacking energy: -166.653
Base-Backbone interact. energy: -0.137
local terms energy: -195.807331
where:
bonds (distance) C4'-P energy: -53.393
bonds (distance) P-C4' energy: -35.077
flat angles C4'-P-C4' energy: -49.870
flat angles P-C4'-P energy: -17.545
tors. eta vs tors. theta energy: -39.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -943.302053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.302053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.302053 (E_RNA)
where:
Base-Base interactions energy: -652.693
where: short stacking energy: -274.103
Base-Backbone interact. energy: -1.125
local terms energy: -289.483461
where:
bonds (distance) C4'-P energy: -51.556
bonds (distance) P-C4' energy: -49.331
flat angles C4'-P-C4' energy: -65.598
flat angles P-C4'-P energy: -43.694
tors. eta vs tors. theta energy: -79.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -905.955747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.955747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.955747 (E_RNA)
where:
Base-Base interactions energy: -626.613
where: short stacking energy: -272.202
Base-Backbone interact. energy: -1.057
local terms energy: -278.285552
where:
bonds (distance) C4'-P energy: -49.254
bonds (distance) P-C4' energy: -54.477
flat angles C4'-P-C4' energy: -63.271
flat angles P-C4'-P energy: -37.899
tors. eta vs tors. theta energy: -73.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -877.231725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.231725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.231725 (E_RNA)
where:
Base-Base interactions energy: -589.123
where: short stacking energy: -252.933
Base-Backbone interact. energy: -0.372
local terms energy: -287.736633
where:
bonds (distance) C4'-P energy: -50.964
bonds (distance) P-C4' energy: -58.071
flat angles C4'-P-C4' energy: -57.601
flat angles P-C4'-P energy: -45.299
tors. eta vs tors. theta energy: -75.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -867.195431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.195431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.195431 (E_RNA)
where:
Base-Base interactions energy: -600.734
where: short stacking energy: -256.035
Base-Backbone interact. energy: -1.276
local terms energy: -265.185716
where:
bonds (distance) C4'-P energy: -52.356
bonds (distance) P-C4' energy: -40.427
flat angles C4'-P-C4' energy: -57.249
flat angles P-C4'-P energy: -46.306
tors. eta vs tors. theta energy: -68.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -823.913968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.913968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.913968 (E_RNA)
where:
Base-Base interactions energy: -569.488
where: short stacking energy: -231.738
Base-Backbone interact. energy: -0.754
local terms energy: -253.672524
where:
bonds (distance) C4'-P energy: -52.406
bonds (distance) P-C4' energy: -46.566
flat angles C4'-P-C4' energy: -56.303
flat angles P-C4'-P energy: -39.092
tors. eta vs tors. theta energy: -59.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -780.998812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.998812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.998812 (E_RNA)
where:
Base-Base interactions energy: -544.947
where: short stacking energy: -230.279
Base-Backbone interact. energy: 2.024
local terms energy: -238.075960
where:
bonds (distance) C4'-P energy: -43.693
bonds (distance) P-C4' energy: -42.779
flat angles C4'-P-C4' energy: -54.222
flat angles P-C4'-P energy: -33.327
tors. eta vs tors. theta energy: -64.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -709.738844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.738844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.738844 (E_RNA)
where:
Base-Base interactions energy: -493.734
where: short stacking energy: -211.663
Base-Backbone interact. energy: -0.821
local terms energy: -215.184224
where:
bonds (distance) C4'-P energy: -33.966
bonds (distance) P-C4' energy: -41.960
flat angles C4'-P-C4' energy: -53.938
flat angles P-C4'-P energy: -37.327
tors. eta vs tors. theta energy: -47.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -678.189191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.189191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.189191 (E_RNA)
where:
Base-Base interactions energy: -463.007
where: short stacking energy: -177.762
Base-Backbone interact. energy: -0.873
local terms energy: -214.309691
where:
bonds (distance) C4'-P energy: -38.790
bonds (distance) P-C4' energy: -45.875
flat angles C4'-P-C4' energy: -48.149
flat angles P-C4'-P energy: -35.820
tors. eta vs tors. theta energy: -45.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -583.549830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.549830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.549830 (E_RNA)
where:
Base-Base interactions energy: -386.416
where: short stacking energy: -173.288
Base-Backbone interact. energy: 0.295
local terms energy: -197.429428
where:
bonds (distance) C4'-P energy: -37.898
bonds (distance) P-C4' energy: -43.325
flat angles C4'-P-C4' energy: -49.037
flat angles P-C4'-P energy: -24.900
tors. eta vs tors. theta energy: -42.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -537.440617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.440617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.440617 (E_RNA)
where:
Base-Base interactions energy: -353.550
where: short stacking energy: -146.576
Base-Backbone interact. energy: -0.818
local terms energy: -183.072147
where:
bonds (distance) C4'-P energy: -46.417
bonds (distance) P-C4' energy: -37.614
flat angles C4'-P-C4' energy: -45.019
flat angles P-C4'-P energy: -20.428
tors. eta vs tors. theta energy: -33.593
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: 9
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -950.769189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.769189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.769189 (E_RNA)
where:
Base-Base interactions energy: -661.388
where: short stacking energy: -283.910
Base-Backbone interact. energy: 0.464
local terms energy: -289.846041
where:
bonds (distance) C4'-P energy: -51.696
bonds (distance) P-C4' energy: -53.617
flat angles C4'-P-C4' energy: -65.951
flat angles P-C4'-P energy: -40.140
tors. eta vs tors. theta energy: -78.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -895.244838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.244838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.244838 (E_RNA)
where:
Base-Base interactions energy: -612.697
where: short stacking energy: -262.769
Base-Backbone interact. energy: -0.553
local terms energy: -281.994856
where:
bonds (distance) C4'-P energy: -52.547
bonds (distance) P-C4' energy: -46.561
flat angles C4'-P-C4' energy: -60.787
flat angles P-C4'-P energy: -41.049
tors. eta vs tors. theta energy: -81.051
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: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -864.909097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.909097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.909097 (E_RNA)
where:
Base-Base interactions energy: -603.113
where: short stacking energy: -250.738
Base-Backbone interact. energy: -0.738
local terms energy: -261.058542
where:
bonds (distance) C4'-P energy: -48.884
bonds (distance) P-C4' energy: -54.508
flat angles C4'-P-C4' energy: -52.325
flat angles P-C4'-P energy: -36.685
tors. eta vs tors. theta energy: -68.656
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: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -870.426187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.426187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.426187 (E_RNA)
where:
Base-Base interactions energy: -601.129
where: short stacking energy: -249.752
Base-Backbone interact. energy: -0.664
local terms energy: -268.632801
where:
bonds (distance) C4'-P energy: -40.015
bonds (distance) P-C4' energy: -62.502
flat angles C4'-P-C4' energy: -61.997
flat angles P-C4'-P energy: -37.529
tors. eta vs tors. theta energy: -66.590
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: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -808.644368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.644368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.644368 (E_RNA)
where:
Base-Base interactions energy: -556.505
where: short stacking energy: -240.829
Base-Backbone interact. energy: -0.586
local terms energy: -251.553292
where:
bonds (distance) C4'-P energy: -44.882
bonds (distance) P-C4' energy: -48.190
flat angles C4'-P-C4' energy: -47.628
flat angles P-C4'-P energy: -42.846
tors. eta vs tors. theta energy: -68.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -779.578218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.578218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.578218 (E_RNA)
where:
Base-Base interactions energy: -562.326
where: short stacking energy: -219.412
Base-Backbone interact. energy: -0.654
local terms energy: -216.597709
where:
bonds (distance) C4'-P energy: -39.543
bonds (distance) P-C4' energy: -41.455
flat angles C4'-P-C4' energy: -45.271
flat angles P-C4'-P energy: -29.949
tors. eta vs tors. theta energy: -60.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -717.473749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.473749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.473749 (E_RNA)
where:
Base-Base interactions energy: -481.294
where: short stacking energy: -197.261
Base-Backbone interact. energy: 0.227
local terms energy: -236.407475
where:
bonds (distance) C4'-P energy: -54.674
bonds (distance) P-C4' energy: -51.359
flat angles C4'-P-C4' energy: -47.175
flat angles P-C4'-P energy: -32.111
tors. eta vs tors. theta energy: -51.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -699.212463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.212463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.212463 (E_RNA)
where:
Base-Base interactions energy: -481.565
where: short stacking energy: -204.041
Base-Backbone interact. energy: -0.658
local terms energy: -216.989379
where:
bonds (distance) C4'-P energy: -40.426
bonds (distance) P-C4' energy: -41.511
flat angles C4'-P-C4' energy: -53.963
flat angles P-C4'-P energy: -28.478
tors. eta vs tors. theta energy: -52.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -552.414750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.414750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.414750 (E_RNA)
where:
Base-Base interactions energy: -347.240
where: short stacking energy: -137.907
Base-Backbone interact. energy: -0.768
local terms energy: -204.406848
where:
bonds (distance) C4'-P energy: -48.533
bonds (distance) P-C4' energy: -43.140
flat angles C4'-P-C4' energy: -53.516
flat angles P-C4'-P energy: -34.479
tors. eta vs tors. theta energy: -24.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -488.886207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.886207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.886207 (E_RNA)
where:
Base-Base interactions energy: -311.729
where: short stacking energy: -138.889
Base-Backbone interact. energy: -1.570
local terms energy: -175.587973
where:
bonds (distance) C4'-P energy: -42.288
bonds (distance) P-C4' energy: -42.514
flat angles C4'-P-C4' energy: -38.018
flat angles P-C4'-P energy: -33.647
tors. eta vs tors. theta energy: -19.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -956.448716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.448716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.448716 (E_RNA)
where:
Base-Base interactions energy: -660.769
where: short stacking energy: -294.185
Base-Backbone interact. energy: -0.499
local terms energy: -295.180785
where:
bonds (distance) C4'-P energy: -50.426
bonds (distance) P-C4' energy: -51.997
flat angles C4'-P-C4' energy: -60.419
flat angles P-C4'-P energy: -48.199
tors. eta vs tors. theta energy: -84.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -884.476442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.476442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.476442 (E_RNA)
where:
Base-Base interactions energy: -621.208
where: short stacking energy: -253.718
Base-Backbone interact. energy: -1.049
local terms energy: -262.218852
where:
bonds (distance) C4'-P energy: -53.267
bonds (distance) P-C4' energy: -48.282
flat angles C4'-P-C4' energy: -58.694
flat angles P-C4'-P energy: -33.153
tors. eta vs tors. theta energy: -68.823
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: 41
Temperature: 1.000000
Total energy: -870.823731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.823731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.823731 (E_RNA)
where:
Base-Base interactions energy: -606.869
where: short stacking energy: -271.265
Base-Backbone interact. energy: 4.395
local terms energy: -268.349630
where:
bonds (distance) C4'-P energy: -54.459
bonds (distance) P-C4' energy: -50.796
flat angles C4'-P-C4' energy: -49.335
flat angles P-C4'-P energy: -41.920
tors. eta vs tors. theta energy: -71.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -862.196920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.196920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.196920 (E_RNA)
where:
Base-Base interactions energy: -603.008
where: short stacking energy: -244.446
Base-Backbone interact. energy: -1.025
local terms energy: -258.163976
where:
bonds (distance) C4'-P energy: -43.721
bonds (distance) P-C4' energy: -50.370
flat angles C4'-P-C4' energy: -59.018
flat angles P-C4'-P energy: -35.831
tors. eta vs tors. theta energy: -69.224
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: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -833.841466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.841466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.841466 (E_RNA)
where:
Base-Base interactions energy: -565.364
where: short stacking energy: -251.944
Base-Backbone interact. energy: -1.255
local terms energy: -267.222304
where:
bonds (distance) C4'-P energy: -53.163
bonds (distance) P-C4' energy: -48.654
flat angles C4'-P-C4' energy: -58.184
flat angles P-C4'-P energy: -29.000
tors. eta vs tors. theta energy: -78.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -790.059465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.059465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.059465 (E_RNA)
where:
Base-Base interactions energy: -558.129
where: short stacking energy: -222.752
Base-Backbone interact. energy: -0.471
local terms energy: -231.459943
where:
bonds (distance) C4'-P energy: -54.135
bonds (distance) P-C4' energy: -50.106
flat angles C4'-P-C4' energy: -44.074
flat angles P-C4'-P energy: -30.353
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: 7, replica: 2
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -738.183177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.183177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.183177 (E_RNA)
where:
Base-Base interactions energy: -516.373
where: short stacking energy: -220.384
Base-Backbone interact. energy: -1.166
local terms energy: -220.644227
where:
bonds (distance) C4'-P energy: -44.578
bonds (distance) P-C4' energy: -34.402
flat angles C4'-P-C4' energy: -57.280
flat angles P-C4'-P energy: -30.951
tors. eta vs tors. theta energy: -53.433
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: 41
Temperature: 1.250000
Total energy: -687.631878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.631878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.631878 (E_RNA)
where:
Base-Base interactions energy: -448.906
where: short stacking energy: -194.215
Base-Backbone interact. energy: -1.195
local terms energy: -237.531136
where:
bonds (distance) C4'-P energy: -50.894
bonds (distance) P-C4' energy: -40.232
flat angles C4'-P-C4' energy: -59.397
flat angles P-C4'-P energy: -28.998
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: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -579.312242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.312242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.312242 (E_RNA)
where:
Base-Base interactions energy: -391.329
where: short stacking energy: -157.561
Base-Backbone interact. energy: -0.429
local terms energy: -187.553477
where:
bonds (distance) C4'-P energy: -41.193
bonds (distance) P-C4' energy: -47.084
flat angles C4'-P-C4' energy: -40.643
flat angles P-C4'-P energy: -22.384
tors. eta vs tors. theta energy: -36.249
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: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -541.396552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.396552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.396552 (E_RNA)
where:
Base-Base interactions energy: -347.565
where: short stacking energy: -161.149
Base-Backbone interact. energy: 0.178
local terms energy: -194.009832
where:
bonds (distance) C4'-P energy: -32.968
bonds (distance) P-C4' energy: -40.931
flat angles C4'-P-C4' energy: -47.273
flat angles P-C4'-P energy: -28.950
tors. eta vs tors. theta energy: -43.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -966.514733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.514733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.514733 (E_RNA)
where:
Base-Base interactions energy: -662.038
where: short stacking energy: -281.056
Base-Backbone interact. energy: 1.595
local terms energy: -306.071934
where:
bonds (distance) C4'-P energy: -58.417
bonds (distance) P-C4' energy: -52.843
flat angles C4'-P-C4' energy: -63.219
flat angles P-C4'-P energy: -47.494
tors. eta vs tors. theta energy: -84.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -885.727305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.727305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.727305 (E_RNA)
where:
Base-Base interactions energy: -612.932
where: short stacking energy: -256.741
Base-Backbone interact. energy: -0.260
local terms energy: -272.535554
where:
bonds (distance) C4'-P energy: -48.073
bonds (distance) P-C4' energy: -47.625
flat angles C4'-P-C4' energy: -63.534
flat angles P-C4'-P energy: -42.791
tors. eta vs tors. theta energy: -70.512
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: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -871.118995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.118995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.118995 (E_RNA)
where:
Base-Base interactions energy: -585.418
where: short stacking energy: -272.782
Base-Backbone interact. energy: -0.158
local terms energy: -285.542962
where:
bonds (distance) C4'-P energy: -50.209
bonds (distance) P-C4' energy: -51.058
flat angles C4'-P-C4' energy: -60.448
flat angles P-C4'-P energy: -41.326
tors. eta vs tors. theta energy: -82.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -848.051480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.051480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.051480 (E_RNA)
where:
Base-Base interactions energy: -617.891
where: short stacking energy: -248.749
Base-Backbone interact. energy: 4.083
local terms energy: -234.243681
where:
bonds (distance) C4'-P energy: -47.530
bonds (distance) P-C4' energy: -44.869
flat angles C4'-P-C4' energy: -46.323
flat angles P-C4'-P energy: -38.928
tors. eta vs tors. theta energy: -56.594
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: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -794.874269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.874269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.874269 (E_RNA)
where:
Base-Base interactions energy: -556.062
where: short stacking energy: -216.992
Base-Backbone interact. energy: -0.796
local terms energy: -238.016061
where:
bonds (distance) C4'-P energy: -53.725
bonds (distance) P-C4' energy: -44.500
flat angles C4'-P-C4' energy: -49.980
flat angles P-C4'-P energy: -34.720
tors. eta vs tors. theta energy: -55.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -818.070935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.070935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.070935 (E_RNA)
where:
Base-Base interactions energy: -562.752
where: short stacking energy: -244.065
Base-Backbone interact. energy: 0.024
local terms energy: -255.342862
where:
bonds (distance) C4'-P energy: -39.225
bonds (distance) P-C4' energy: -56.144
flat angles C4'-P-C4' energy: -58.364
flat angles P-C4'-P energy: -35.068
tors. eta vs tors. theta energy: -66.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -747.279889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.279889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.279889 (E_RNA)
where:
Base-Base interactions energy: -519.190
where: short stacking energy: -212.130
Base-Backbone interact. energy: 1.927
local terms energy: -230.017393
where:
bonds (distance) C4'-P energy: -42.930
bonds (distance) P-C4' energy: -43.523
flat angles C4'-P-C4' energy: -57.151
flat angles P-C4'-P energy: -36.472
tors. eta vs tors. theta energy: -49.941
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: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -705.584545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.584545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.584545 (E_RNA)
where:
Base-Base interactions energy: -470.041
where: short stacking energy: -204.761
Base-Backbone interact. energy: 3.227
local terms energy: -238.771154
where:
bonds (distance) C4'-P energy: -51.959
bonds (distance) P-C4' energy: -49.140
flat angles C4'-P-C4' energy: -51.722
flat angles P-C4'-P energy: -31.323
tors. eta vs tors. theta energy: -54.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -620.369043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.369043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.369043 (E_RNA)
where:
Base-Base interactions energy: -406.912
where: short stacking energy: -193.528
Base-Backbone interact. energy: -0.191
local terms energy: -213.265864
where:
bonds (distance) C4'-P energy: -35.018
bonds (distance) P-C4' energy: -48.044
flat angles C4'-P-C4' energy: -47.197
flat angles P-C4'-P energy: -42.955
tors. eta vs tors. theta energy: -40.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -476.303700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.303700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.303700 (E_RNA)
where:
Base-Base interactions energy: -313.701
where: short stacking energy: -139.323
Base-Backbone interact. energy: 0.471
local terms energy: -163.073673
where:
bonds (distance) C4'-P energy: -37.217
bonds (distance) P-C4' energy: -38.817
flat angles C4'-P-C4' energy: -43.104
flat angles P-C4'-P energy: -28.783
tors. eta vs tors. theta energy: -15.153
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: 9
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -949.642704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.642704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.642704 (E_RNA)
where:
Base-Base interactions energy: -653.972
where: short stacking energy: -286.185
Base-Backbone interact. energy: -1.391
local terms energy: -294.278826
where:
bonds (distance) C4'-P energy: -48.635
bonds (distance) P-C4' energy: -56.154
flat angles C4'-P-C4' energy: -61.613
flat angles P-C4'-P energy: -43.902
tors. eta vs tors. theta energy: -83.975
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: 2, replica: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -908.073811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.073811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.073811 (E_RNA)
where:
Base-Base interactions energy: -606.912
where: short stacking energy: -268.520
Base-Backbone interact. energy: -0.876
local terms energy: -300.285884
where:
bonds (distance) C4'-P energy: -52.328
bonds (distance) P-C4' energy: -62.603
flat angles C4'-P-C4' energy: -60.391
flat angles P-C4'-P energy: -47.449
tors. eta vs tors. theta energy: -77.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -848.316942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.316942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.316942 (E_RNA)
where:
Base-Base interactions energy: -601.651
where: short stacking energy: -259.648
Base-Backbone interact. energy: -0.553
local terms energy: -246.113568
where:
bonds (distance) C4'-P energy: -47.422
bonds (distance) P-C4' energy: -52.700
flat angles C4'-P-C4' energy: -48.104
flat angles P-C4'-P energy: -30.853
tors. eta vs tors. theta energy: -67.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -857.219366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.219366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.219366 (E_RNA)
where:
Base-Base interactions energy: -600.222
where: short stacking energy: -237.350
Base-Backbone interact. energy: 0.260
local terms energy: -257.257721
where:
bonds (distance) C4'-P energy: -48.328
bonds (distance) P-C4' energy: -50.425
flat angles C4'-P-C4' energy: -47.385
flat angles P-C4'-P energy: -44.580
tors. eta vs tors. theta energy: -66.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -794.510069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.510069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.510069 (E_RNA)
where:
Base-Base interactions energy: -563.229
where: short stacking energy: -227.595
Base-Backbone interact. energy: -1.693
local terms energy: -229.587279
where:
bonds (distance) C4'-P energy: -47.571
bonds (distance) P-C4' energy: -48.293
flat angles C4'-P-C4' energy: -46.881
flat angles P-C4'-P energy: -35.126
tors. eta vs tors. theta energy: -51.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -792.688401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.688401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.688401 (E_RNA)
where:
Base-Base interactions energy: -546.955
where: short stacking energy: -235.923
Base-Backbone interact. energy: 5.694
local terms energy: -251.426771
where:
bonds (distance) C4'-P energy: -45.750
bonds (distance) P-C4' energy: -49.839
flat angles C4'-P-C4' energy: -53.189
flat angles P-C4'-P energy: -33.347
tors. eta vs tors. theta energy: -69.301
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: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -738.451045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.451045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.451045 (E_RNA)
where:
Base-Base interactions energy: -527.775
where: short stacking energy: -215.687
Base-Backbone interact. energy: 0.951
local terms energy: -211.627054
where:
bonds (distance) C4'-P energy: -24.942
bonds (distance) P-C4' energy: -41.496
flat angles C4'-P-C4' energy: -47.128
flat angles P-C4'-P energy: -31.454
tors. eta vs tors. theta energy: -66.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -717.549331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.549331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.549331 (E_RNA)
where:
Base-Base interactions energy: -479.028
where: short stacking energy: -217.048
Base-Backbone interact. energy: 1.484
local terms energy: -240.005183
where:
bonds (distance) C4'-P energy: -43.053
bonds (distance) P-C4' energy: -43.145
flat angles C4'-P-C4' energy: -55.422
flat angles P-C4'-P energy: -26.002
tors. eta vs tors. theta energy: -72.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -616.096053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.096053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.096053 (E_RNA)
where:
Base-Base interactions energy: -423.135
where: short stacking energy: -178.288
Base-Backbone interact. energy: 0.114
local terms energy: -193.074800
where:
bonds (distance) C4'-P energy: -35.871
bonds (distance) P-C4' energy: -46.386
flat angles C4'-P-C4' energy: -42.192
flat angles P-C4'-P energy: -29.602
tors. eta vs tors. theta energy: -39.025
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: 10, replica: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -403.853118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.853118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.853118 (E_RNA)
where:
Base-Base interactions energy: -234.450
where: short stacking energy: -116.194
Base-Backbone interact. energy: -0.617
local terms energy: -168.786308
where:
bonds (distance) C4'-P energy: -37.088
bonds (distance) P-C4' energy: -48.071
flat angles C4'-P-C4' energy: -31.436
flat angles P-C4'-P energy: -31.571
tors. eta vs tors. theta energy: -20.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -929.306104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.306104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.306104 (E_RNA)
where:
Base-Base interactions energy: -638.941
where: short stacking energy: -285.951
Base-Backbone interact. energy: -1.896
local terms energy: -288.469108
where:
bonds (distance) C4'-P energy: -50.306
bonds (distance) P-C4' energy: -59.736
flat angles C4'-P-C4' energy: -61.479
flat angles P-C4'-P energy: -38.369
tors. eta vs tors. theta energy: -78.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -938.384404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.384404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.384404 (E_RNA)
where:
Base-Base interactions energy: -658.433
where: short stacking energy: -280.294
Base-Backbone interact. energy: 0.778
local terms energy: -280.728781
where:
bonds (distance) C4'-P energy: -46.873
bonds (distance) P-C4' energy: -51.576
flat angles C4'-P-C4' energy: -63.655
flat angles P-C4'-P energy: -37.440
tors. eta vs tors. theta energy: -81.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -862.998514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.998514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.998514 (E_RNA)
where:
Base-Base interactions energy: -589.391
where: short stacking energy: -247.673
Base-Backbone interact. energy: -1.053
local terms energy: -272.553634
where:
bonds (distance) C4'-P energy: -46.735
bonds (distance) P-C4' energy: -50.061
flat angles C4'-P-C4' energy: -62.375
flat angles P-C4'-P energy: -41.887
tors. eta vs tors. theta energy: -71.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -841.043762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.043762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.043762 (E_RNA)
where:
Base-Base interactions energy: -592.237
where: short stacking energy: -234.775
Base-Backbone interact. energy: 0.763
local terms energy: -249.570318
where:
bonds (distance) C4'-P energy: -48.139
bonds (distance) P-C4' energy: -44.180
flat angles C4'-P-C4' energy: -57.272
flat angles P-C4'-P energy: -40.460
tors. eta vs tors. theta energy: -59.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -803.662624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.662624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.662624 (E_RNA)
where:
Base-Base interactions energy: -558.100
where: short stacking energy: -235.911
Base-Backbone interact. energy: -0.031
local terms energy: -245.531343
where:
bonds (distance) C4'-P energy: -49.190
bonds (distance) P-C4' energy: -50.641
flat angles C4'-P-C4' energy: -47.832
flat angles P-C4'-P energy: -35.161
tors. eta vs tors. theta energy: -62.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -795.104592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.104592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.104592 (E_RNA)
where:
Base-Base interactions energy: -560.047
where: short stacking energy: -238.505
Base-Backbone interact. energy: -0.206
local terms energy: -234.851171
where:
bonds (distance) C4'-P energy: -35.625
bonds (distance) P-C4' energy: -45.824
flat angles C4'-P-C4' energy: -49.339
flat angles P-C4'-P energy: -36.425
tors. eta vs tors. theta energy: -67.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -708.684085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.684085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.684085 (E_RNA)
where:
Base-Base interactions energy: -488.165
where: short stacking energy: -202.111
Base-Backbone interact. energy: -1.452
local terms energy: -219.067679
where:
bonds (distance) C4'-P energy: -46.947
bonds (distance) P-C4' energy: -39.630
flat angles C4'-P-C4' energy: -54.308
flat angles P-C4'-P energy: -30.813
tors. eta vs tors. theta energy: -47.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -670.550616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.550616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.550616 (E_RNA)
where:
Base-Base interactions energy: -452.620
where: short stacking energy: -203.354
Base-Backbone interact. energy: 1.893
local terms energy: -219.823620
where:
bonds (distance) C4'-P energy: -31.283
bonds (distance) P-C4' energy: -47.929
flat angles C4'-P-C4' energy: -53.963
flat angles P-C4'-P energy: -31.021
tors. eta vs tors. theta energy: -55.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -644.945445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.945445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.945445 (E_RNA)
where:
Base-Base interactions energy: -451.500
where: short stacking energy: -176.311
Base-Backbone interact. energy: -0.944
local terms energy: -192.502112
where:
bonds (distance) C4'-P energy: -46.868
bonds (distance) P-C4' energy: -43.294
flat angles C4'-P-C4' energy: -40.151
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -41.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -495.065980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.065980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.065980 (E_RNA)
where:
Base-Base interactions energy: -315.156
where: short stacking energy: -157.229
Base-Backbone interact. energy: 0.210
local terms energy: -180.119263
where:
bonds (distance) C4'-P energy: -32.049
bonds (distance) P-C4' energy: -42.991
flat angles C4'-P-C4' energy: -34.308
flat angles P-C4'-P energy: -28.431
tors. eta vs tors. theta energy: -42.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -944.192697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.192697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.192697 (E_RNA)
where:
Base-Base interactions energy: -654.941
where: short stacking energy: -278.292
Base-Backbone interact. energy: -2.210
local terms energy: -287.041580
where:
bonds (distance) C4'-P energy: -42.238
bonds (distance) P-C4' energy: -58.351
flat angles C4'-P-C4' energy: -60.393
flat angles P-C4'-P energy: -44.224
tors. eta vs tors. theta energy: -81.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -936.899007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.899007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.899007 (E_RNA)
where:
Base-Base interactions energy: -640.010
where: short stacking energy: -274.176
Base-Backbone interact. energy: -0.993
local terms energy: -295.895979
where:
bonds (distance) C4'-P energy: -59.574
bonds (distance) P-C4' energy: -49.938
flat angles C4'-P-C4' energy: -57.820
flat angles P-C4'-P energy: -46.663
tors. eta vs tors. theta energy: -81.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -859.589423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.589423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.589423 (E_RNA)
where:
Base-Base interactions energy: -595.818
where: short stacking energy: -239.460
Base-Backbone interact. energy: 0.739
local terms energy: -264.510620
where:
bonds (distance) C4'-P energy: -58.162
bonds (distance) P-C4' energy: -54.885
flat angles C4'-P-C4' energy: -55.279
flat angles P-C4'-P energy: -30.217
tors. eta vs tors. theta energy: -65.968
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: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -847.241646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.241646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.241646 (E_RNA)
where:
Base-Base interactions energy: -579.725
where: short stacking energy: -237.764
Base-Backbone interact. energy: -0.231
local terms energy: -267.285248
where:
bonds (distance) C4'-P energy: -52.346
bonds (distance) P-C4' energy: -48.307
flat angles C4'-P-C4' energy: -62.265
flat angles P-C4'-P energy: -40.094
tors. eta vs tors. theta energy: -64.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -819.293614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.293614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.293614 (E_RNA)
where:
Base-Base interactions energy: -568.324
where: short stacking energy: -245.233
Base-Backbone interact. energy: -0.042
local terms energy: -250.928360
where:
bonds (distance) C4'-P energy: -44.262
bonds (distance) P-C4' energy: -46.219
flat angles C4'-P-C4' energy: -55.658
flat angles P-C4'-P energy: -39.357
tors. eta vs tors. theta energy: -65.432
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: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -781.870314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.870314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.870314 (E_RNA)
where:
Base-Base interactions energy: -539.096
where: short stacking energy: -228.727
Base-Backbone interact. energy: -0.515
local terms energy: -242.258839
where:
bonds (distance) C4'-P energy: -34.644
bonds (distance) P-C4' energy: -50.078
flat angles C4'-P-C4' energy: -57.841
flat angles P-C4'-P energy: -34.077
tors. eta vs tors. theta energy: -65.619
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: 45
Temperature: 1.200000
Total energy: -741.102157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.102157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.102157 (E_RNA)
where:
Base-Base interactions energy: -514.707
where: short stacking energy: -203.566
Base-Backbone interact. energy: -1.257
local terms energy: -225.137857
where:
bonds (distance) C4'-P energy: -49.574
bonds (distance) P-C4' energy: -43.239
flat angles C4'-P-C4' energy: -45.295
flat angles P-C4'-P energy: -31.722
tors. eta vs tors. theta energy: -55.308
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: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -677.300692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.300692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.300692 (E_RNA)
where:
Base-Base interactions energy: -437.401
where: short stacking energy: -194.164
Base-Backbone interact. energy: -0.424
local terms energy: -239.475089
where:
bonds (distance) C4'-P energy: -40.695
bonds (distance) P-C4' energy: -55.232
flat angles C4'-P-C4' energy: -55.244
flat angles P-C4'-P energy: -26.482
tors. eta vs tors. theta energy: -61.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -675.460660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.460660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.460660 (E_RNA)
where:
Base-Base interactions energy: -462.078
where: short stacking energy: -187.785
Base-Backbone interact. energy: -0.227
local terms energy: -213.154889
where:
bonds (distance) C4'-P energy: -37.709
bonds (distance) P-C4' energy: -41.703
flat angles C4'-P-C4' energy: -50.597
flat angles P-C4'-P energy: -23.550
tors. eta vs tors. theta energy: -59.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -519.754337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.754337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.754337 (E_RNA)
where:
Base-Base interactions energy: -306.735
where: short stacking energy: -137.371
Base-Backbone interact. energy: -1.202
local terms energy: -211.818169
where:
bonds (distance) C4'-P energy: -44.559
bonds (distance) P-C4' energy: -53.916
flat angles C4'-P-C4' energy: -49.416
flat angles P-C4'-P energy: -32.005
tors. eta vs tors. theta energy: -31.923
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: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -952.599441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.599441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.599441 (E_RNA)
where:
Base-Base interactions energy: -662.316
where: short stacking energy: -269.414
Base-Backbone interact. energy: -2.251
local terms energy: -288.032034
where:
bonds (distance) C4'-P energy: -57.718
bonds (distance) P-C4' energy: -48.047
flat angles C4'-P-C4' energy: -52.970
flat angles P-C4'-P energy: -46.235
tors. eta vs tors. theta energy: -83.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -929.834665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.834665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.834665 (E_RNA)
where:
Base-Base interactions energy: -643.645
where: short stacking energy: -279.388
Base-Backbone interact. energy: -0.261
local terms energy: -285.928526
where:
bonds (distance) C4'-P energy: -46.722
bonds (distance) P-C4' energy: -55.299
flat angles C4'-P-C4' energy: -59.760
flat angles P-C4'-P energy: -46.337
tors. eta vs tors. theta energy: -77.810
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: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -872.659200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.659200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.659200 (E_RNA)
where:
Base-Base interactions energy: -604.177
where: short stacking energy: -249.596
Base-Backbone interact. energy: -1.161
local terms energy: -267.320337
where:
bonds (distance) C4'-P energy: -39.578
bonds (distance) P-C4' energy: -52.044
flat angles C4'-P-C4' energy: -61.330
flat angles P-C4'-P energy: -45.006
tors. eta vs tors. theta energy: -69.362
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: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -839.600601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.600601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.600601 (E_RNA)
where:
Base-Base interactions energy: -582.287
where: short stacking energy: -224.122
Base-Backbone interact. energy: -0.281
local terms energy: -257.032345
where:
bonds (distance) C4'-P energy: -58.511
bonds (distance) P-C4' energy: -50.329
flat angles C4'-P-C4' energy: -54.150
flat angles P-C4'-P energy: -32.570
tors. eta vs tors. theta energy: -61.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -792.014998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.014998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.014998 (E_RNA)
where:
Base-Base interactions energy: -530.676
where: short stacking energy: -213.729
Base-Backbone interact. energy: -0.768
local terms energy: -260.571533
where:
bonds (distance) C4'-P energy: -44.097
bonds (distance) P-C4' energy: -57.208
flat angles C4'-P-C4' energy: -60.832
flat angles P-C4'-P energy: -40.297
tors. eta vs tors. theta energy: -58.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -799.879282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.879282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.879282 (E_RNA)
where:
Base-Base interactions energy: -540.911
where: short stacking energy: -234.421
Base-Backbone interact. energy: 0.122
local terms energy: -259.090337
where:
bonds (distance) C4'-P energy: -50.882
bonds (distance) P-C4' energy: -44.486
flat angles C4'-P-C4' energy: -55.103
flat angles P-C4'-P energy: -42.764
tors. eta vs tors. theta energy: -65.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -723.616436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.616436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.616436 (E_RNA)
where:
Base-Base interactions energy: -496.603
where: short stacking energy: -208.937
Base-Backbone interact. energy: -0.026
local terms energy: -226.987368
where:
bonds (distance) C4'-P energy: -41.942
bonds (distance) P-C4' energy: -53.210
flat angles C4'-P-C4' energy: -50.300
flat angles P-C4'-P energy: -24.942
tors. eta vs tors. theta energy: -56.594
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: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -661.748625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.748625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.748625 (E_RNA)
where:
Base-Base interactions energy: -434.358
where: short stacking energy: -192.257
Base-Backbone interact. energy: -0.328
local terms energy: -227.062216
where:
bonds (distance) C4'-P energy: -50.772
bonds (distance) P-C4' energy: -48.928
flat angles C4'-P-C4' energy: -49.473
flat angles P-C4'-P energy: -30.553
tors. eta vs tors. theta energy: -47.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -668.068698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.068698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.068698 (E_RNA)
where:
Base-Base interactions energy: -446.820
where: short stacking energy: -199.154
Base-Backbone interact. energy: -1.045
local terms energy: -220.203411
where:
bonds (distance) C4'-P energy: -53.243
bonds (distance) P-C4' energy: -44.523
flat angles C4'-P-C4' energy: -42.676
flat angles P-C4'-P energy: -32.407
tors. eta vs tors. theta energy: -47.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -428.755647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.755647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.755647 (E_RNA)
where:
Base-Base interactions energy: -246.943
where: short stacking energy: -130.557
Base-Backbone interact. energy: -0.652
local terms energy: -181.161233
where:
bonds (distance) C4'-P energy: -46.366
bonds (distance) P-C4' energy: -38.372
flat angles C4'-P-C4' energy: -51.496
flat angles P-C4'-P energy: -23.417
tors. eta vs tors. theta energy: -21.511
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: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -947.886980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.886980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.886980 (E_RNA)
where:
Base-Base interactions energy: -654.571
where: short stacking energy: -272.867
Base-Backbone interact. energy: -2.181
local terms energy: -291.135094
where:
bonds (distance) C4'-P energy: -44.411
bonds (distance) P-C4' energy: -60.950
flat angles C4'-P-C4' energy: -66.227
flat angles P-C4'-P energy: -41.355
tors. eta vs tors. theta energy: -78.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -925.829656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.829656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.829656 (E_RNA)
where:
Base-Base interactions energy: -641.658
where: short stacking energy: -259.294
Base-Backbone interact. energy: 0.200
local terms energy: -284.371879
where:
bonds (distance) C4'-P energy: -51.677
bonds (distance) P-C4' energy: -50.825
flat angles C4'-P-C4' energy: -59.895
flat angles P-C4'-P energy: -50.027
tors. eta vs tors. theta energy: -71.947
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: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -848.040386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.040386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.040386 (E_RNA)
where:
Base-Base interactions energy: -596.254
where: short stacking energy: -238.584
Base-Backbone interact. energy: 0.758
local terms energy: -252.544423
where:
bonds (distance) C4'-P energy: -48.699
bonds (distance) P-C4' energy: -52.029
flat angles C4'-P-C4' energy: -52.237
flat angles P-C4'-P energy: -37.836
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: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -831.606778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.606778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.606778 (E_RNA)
where:
Base-Base interactions energy: -569.332
where: short stacking energy: -229.435
Base-Backbone interact. energy: 1.235
local terms energy: -263.509275
where:
bonds (distance) C4'-P energy: -45.387
bonds (distance) P-C4' energy: -54.491
flat angles C4'-P-C4' energy: -53.165
flat angles P-C4'-P energy: -43.691
tors. eta vs tors. theta energy: -66.775
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: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -807.739006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.739006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.739006 (E_RNA)
where:
Base-Base interactions energy: -576.150
where: short stacking energy: -243.717
Base-Backbone interact. energy: -0.802
local terms energy: -230.787512
where:
bonds (distance) C4'-P energy: -43.772
bonds (distance) P-C4' energy: -46.334
flat angles C4'-P-C4' energy: -46.639
flat angles P-C4'-P energy: -32.416
tors. eta vs tors. theta energy: -61.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -826.572894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.572894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.572894 (E_RNA)
where:
Base-Base interactions energy: -569.671
where: short stacking energy: -248.433
Base-Backbone interact. energy: -0.461
local terms energy: -256.441324
where:
bonds (distance) C4'-P energy: -43.104
bonds (distance) P-C4' energy: -45.943
flat angles C4'-P-C4' energy: -60.409
flat angles P-C4'-P energy: -32.672
tors. eta vs tors. theta energy: -74.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -696.088300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.088300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.088300 (E_RNA)
where:
Base-Base interactions energy: -473.271
where: short stacking energy: -211.505
Base-Backbone interact. energy: -1.235
local terms energy: -221.581786
where:
bonds (distance) C4'-P energy: -35.704
bonds (distance) P-C4' energy: -44.376
flat angles C4'-P-C4' energy: -53.755
flat angles P-C4'-P energy: -34.153
tors. eta vs tors. theta energy: -53.594
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: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -672.125476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.125476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.125476 (E_RNA)
where:
Base-Base interactions energy: -449.964
where: short stacking energy: -188.117
Base-Backbone interact. energy: -0.135
local terms energy: -222.025646
where:
bonds (distance) C4'-P energy: -44.737
bonds (distance) P-C4' energy: -52.029
flat angles C4'-P-C4' energy: -53.080
flat angles P-C4'-P energy: -24.013
tors. eta vs tors. theta energy: -48.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -660.043537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.043537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.043537 (E_RNA)
where:
Base-Base interactions energy: -443.658
where: short stacking energy: -181.992
Base-Backbone interact. energy: 0.099
local terms energy: -216.484102
where:
bonds (distance) C4'-P energy: -36.993
bonds (distance) P-C4' energy: -55.290
flat angles C4'-P-C4' energy: -51.110
flat angles P-C4'-P energy: -27.227
tors. eta vs tors. theta energy: -45.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -462.029016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.029016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.029016 (E_RNA)
where:
Base-Base interactions energy: -290.313
where: short stacking energy: -127.766
Base-Backbone interact. energy: -0.785
local terms energy: -170.930943
where:
bonds (distance) C4'-P energy: -41.468
bonds (distance) P-C4' energy: -52.940
flat angles C4'-P-C4' energy: -31.420
flat angles P-C4'-P energy: -22.226
tors. eta vs tors. theta energy: -22.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -938.941157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.941157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.941157 (E_RNA)
where:
Base-Base interactions energy: -661.706
where: short stacking energy: -278.710
Base-Backbone interact. energy: -0.322
local terms energy: -276.913053
where:
bonds (distance) C4'-P energy: -43.601
bonds (distance) P-C4' energy: -48.322
flat angles C4'-P-C4' energy: -60.600
flat angles P-C4'-P energy: -44.118
tors. eta vs tors. theta energy: -80.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -927.822562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.822562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.822562 (E_RNA)
where:
Base-Base interactions energy: -648.644
where: short stacking energy: -272.777
Base-Backbone interact. energy: -1.959
local terms energy: -277.219417
where:
bonds (distance) C4'-P energy: -50.313
bonds (distance) P-C4' energy: -48.284
flat angles C4'-P-C4' energy: -55.997
flat angles P-C4'-P energy: -41.958
tors. eta vs tors. theta energy: -80.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -844.548377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.548377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.548377 (E_RNA)
where:
Base-Base interactions energy: -608.959
where: short stacking energy: -249.441
Base-Backbone interact. energy: 0.152
local terms energy: -235.740930
where:
bonds (distance) C4'-P energy: -42.564
bonds (distance) P-C4' energy: -40.859
flat angles C4'-P-C4' energy: -44.851
flat angles P-C4'-P energy: -46.498
tors. eta vs tors. theta energy: -60.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -844.991242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.991242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.991242 (E_RNA)
where:
Base-Base interactions energy: -599.388
where: short stacking energy: -249.535
Base-Backbone interact. energy: -1.157
local terms energy: -244.445706
where:
bonds (distance) C4'-P energy: -40.825
bonds (distance) P-C4' energy: -40.013
flat angles C4'-P-C4' energy: -54.529
flat angles P-C4'-P energy: -41.139
tors. eta vs tors. theta energy: -67.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -822.453080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.453080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.453080 (E_RNA)
where:
Base-Base interactions energy: -570.504
where: short stacking energy: -238.508
Base-Backbone interact. energy: 2.373
local terms energy: -254.322289
where:
bonds (distance) C4'-P energy: -48.298
bonds (distance) P-C4' energy: -44.454
flat angles C4'-P-C4' energy: -56.419
flat angles P-C4'-P energy: -42.904
tors. eta vs tors. theta energy: -62.247
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: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -787.097831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.097831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.097831 (E_RNA)
where:
Base-Base interactions energy: -552.128
where: short stacking energy: -229.486
Base-Backbone interact. energy: -2.276
local terms energy: -232.692904
where:
bonds (distance) C4'-P energy: -41.228
bonds (distance) P-C4' energy: -46.055
flat angles C4'-P-C4' energy: -49.372
flat angles P-C4'-P energy: -31.070
tors. eta vs tors. theta energy: -64.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -697.090127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.090127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.090127 (E_RNA)
where:
Base-Base interactions energy: -460.378
where: short stacking energy: -193.607
Base-Backbone interact. energy: -0.737
local terms energy: -235.974584
where:
bonds (distance) C4'-P energy: -41.183
bonds (distance) P-C4' energy: -56.120
flat angles C4'-P-C4' energy: -57.967
flat angles P-C4'-P energy: -28.396
tors. eta vs tors. theta energy: -52.308
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: 2
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -694.185369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.185369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.185369 (E_RNA)
where:
Base-Base interactions energy: -481.919
where: short stacking energy: -206.069
Base-Backbone interact. energy: -0.441
local terms energy: -211.825768
where:
bonds (distance) C4'-P energy: -42.244
bonds (distance) P-C4' energy: -49.887
flat angles C4'-P-C4' energy: -48.698
flat angles P-C4'-P energy: -27.440
tors. eta vs tors. theta energy: -43.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -684.779756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.779756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.779756 (E_RNA)
where:
Base-Base interactions energy: -463.157
where: short stacking energy: -188.350
Base-Backbone interact. energy: -0.752
local terms energy: -220.870634
where:
bonds (distance) C4'-P energy: -40.323
bonds (distance) P-C4' energy: -45.310
flat angles C4'-P-C4' energy: -50.475
flat angles P-C4'-P energy: -30.802
tors. eta vs tors. theta energy: -53.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -465.020987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.020987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.020987 (E_RNA)
where:
Base-Base interactions energy: -276.196
where: short stacking energy: -129.824
Base-Backbone interact. energy: -0.501
local terms energy: -188.323470
where:
bonds (distance) C4'-P energy: -40.316
bonds (distance) P-C4' energy: -51.556
flat angles C4'-P-C4' energy: -46.179
flat angles P-C4'-P energy: -28.311
tors. eta vs tors. theta energy: -21.962
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: 9
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -962.666054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.666054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.666054 (E_RNA)
where:
Base-Base interactions energy: -664.748
where: short stacking energy: -285.607
Base-Backbone interact. energy: 0.290
local terms energy: -298.208528
where:
bonds (distance) C4'-P energy: -52.029
bonds (distance) P-C4' energy: -53.046
flat angles C4'-P-C4' energy: -63.801
flat angles P-C4'-P energy: -48.737
tors. eta vs tors. theta energy: -80.596
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: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -911.043521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.043521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.043521 (E_RNA)
where:
Base-Base interactions energy: -625.482
where: short stacking energy: -273.770
Base-Backbone interact. energy: -1.587
local terms energy: -283.975212
where:
bonds (distance) C4'-P energy: -49.603
bonds (distance) P-C4' energy: -59.519
flat angles C4'-P-C4' energy: -61.730
flat angles P-C4'-P energy: -38.565
tors. eta vs tors. theta energy: -74.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -853.532245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.532245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.532245 (E_RNA)
where:
Base-Base interactions energy: -588.955
where: short stacking energy: -244.927
Base-Backbone interact. energy: -1.248
local terms energy: -263.329118
where:
bonds (distance) C4'-P energy: -48.188
bonds (distance) P-C4' energy: -50.066
flat angles C4'-P-C4' energy: -59.441
flat angles P-C4'-P energy: -42.987
tors. eta vs tors. theta energy: -62.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -819.870799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.870799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.870799 (E_RNA)
where:
Base-Base interactions energy: -574.951
where: short stacking energy: -235.044
Base-Backbone interact. energy: 0.543
local terms energy: -245.462981
where:
bonds (distance) C4'-P energy: -45.846
bonds (distance) P-C4' energy: -54.713
flat angles C4'-P-C4' energy: -45.367
flat angles P-C4'-P energy: -36.651
tors. eta vs tors. theta energy: -62.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -853.013830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.013830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.013830 (E_RNA)
where:
Base-Base interactions energy: -608.451
where: short stacking energy: -242.578
Base-Backbone interact. energy: -2.043
local terms energy: -242.519907
where:
bonds (distance) C4'-P energy: -36.013
bonds (distance) P-C4' energy: -40.090
flat angles C4'-P-C4' energy: -58.237
flat angles P-C4'-P energy: -42.577
tors. eta vs tors. theta energy: -65.603
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: 6, replica: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -782.061265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.061265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.061265 (E_RNA)
where:
Base-Base interactions energy: -532.851
where: short stacking energy: -230.964
Base-Backbone interact. energy: 0.492
local terms energy: -249.702172
where:
bonds (distance) C4'-P energy: -49.998
bonds (distance) P-C4' energy: -50.222
flat angles C4'-P-C4' energy: -47.483
flat angles P-C4'-P energy: -41.833
tors. eta vs tors. theta energy: -60.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -710.289352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.289352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.289352 (E_RNA)
where:
Base-Base interactions energy: -477.629
where: short stacking energy: -200.398
Base-Backbone interact. energy: -0.470
local terms energy: -232.190419
where:
bonds (distance) C4'-P energy: -49.329
bonds (distance) P-C4' energy: -40.637
flat angles C4'-P-C4' energy: -56.146
flat angles P-C4'-P energy: -33.152
tors. eta vs tors. theta energy: -52.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -730.908511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.908511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.908511 (E_RNA)
where:
Base-Base interactions energy: -495.454
where: short stacking energy: -203.007
Base-Backbone interact. energy: -1.386
local terms energy: -234.068539
where:
bonds (distance) C4'-P energy: -46.505
bonds (distance) P-C4' energy: -55.056
flat angles C4'-P-C4' energy: -47.014
flat angles P-C4'-P energy: -32.058
tors. eta vs tors. theta energy: -53.436
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: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -652.488010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.488010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.488010 (E_RNA)
where:
Base-Base interactions energy: -444.376
where: short stacking energy: -190.511
Base-Backbone interact. energy: -1.461
local terms energy: -206.651237
where:
bonds (distance) C4'-P energy: -35.219
bonds (distance) P-C4' energy: -46.369
flat angles C4'-P-C4' energy: -52.986
flat angles P-C4'-P energy: -27.674
tors. eta vs tors. theta energy: -44.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -348.868965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.868965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.868965 (E_RNA)
where:
Base-Base interactions energy: -202.865
where: short stacking energy: -95.717
Base-Backbone interact. energy: 4.889
local terms energy: -150.892640
where:
bonds (distance) C4'-P energy: -34.550
bonds (distance) P-C4' energy: -37.528
flat angles C4'-P-C4' energy: -36.201
flat angles P-C4'-P energy: -33.924
tors. eta vs tors. theta energy: -8.690
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: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -951.838534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.838534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.838534 (E_RNA)
where:
Base-Base interactions energy: -661.403
where: short stacking energy: -296.695
Base-Backbone interact. energy: 0.650
local terms energy: -291.085677
where:
bonds (distance) C4'-P energy: -48.710
bonds (distance) P-C4' energy: -53.049
flat angles C4'-P-C4' energy: -64.636
flat angles P-C4'-P energy: -40.900
tors. eta vs tors. theta energy: -83.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -912.361397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.361397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.361397 (E_RNA)
where:
Base-Base interactions energy: -626.176
where: short stacking energy: -272.777
Base-Backbone interact. energy: -1.575
local terms energy: -284.610128
where:
bonds (distance) C4'-P energy: -56.212
bonds (distance) P-C4' energy: -53.900
flat angles C4'-P-C4' energy: -62.772
flat angles P-C4'-P energy: -33.484
tors. eta vs tors. theta energy: -78.242
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: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -871.869292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.869292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.869292 (E_RNA)
where:
Base-Base interactions energy: -603.407
where: short stacking energy: -253.899
Base-Backbone interact. energy: 0.264
local terms energy: -268.726279
where:
bonds (distance) C4'-P energy: -53.393
bonds (distance) P-C4' energy: -53.285
flat angles C4'-P-C4' energy: -63.067
flat angles P-C4'-P energy: -34.380
tors. eta vs tors. theta energy: -64.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -833.097010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.097010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.097010 (E_RNA)
where:
Base-Base interactions energy: -575.126
where: short stacking energy: -247.332
Base-Backbone interact. energy: -0.402
local terms energy: -257.569040
where:
bonds (distance) C4'-P energy: -50.728
bonds (distance) P-C4' energy: -42.883
flat angles C4'-P-C4' energy: -57.595
flat angles P-C4'-P energy: -31.692
tors. eta vs tors. theta energy: -74.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -856.380754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.380754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.380754 (E_RNA)
where:
Base-Base interactions energy: -606.227
where: short stacking energy: -249.871
Base-Backbone interact. energy: -0.592
local terms energy: -249.562519
where:
bonds (distance) C4'-P energy: -42.027
bonds (distance) P-C4' energy: -46.413
flat angles C4'-P-C4' energy: -61.368
flat angles P-C4'-P energy: -35.147
tors. eta vs tors. theta energy: -64.606
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: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -782.840888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.840888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.840888 (E_RNA)
where:
Base-Base interactions energy: -533.311
where: short stacking energy: -223.940
Base-Backbone interact. energy: -0.087
local terms energy: -249.442627
where:
bonds (distance) C4'-P energy: -40.847
bonds (distance) P-C4' energy: -41.526
flat angles C4'-P-C4' energy: -64.928
flat angles P-C4'-P energy: -35.751
tors. eta vs tors. theta energy: -66.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -755.423173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.423173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.423173 (E_RNA)
where:
Base-Base interactions energy: -515.798
where: short stacking energy: -220.362
Base-Backbone interact. energy: 2.531
local terms energy: -242.155664
where:
bonds (distance) C4'-P energy: -49.502
bonds (distance) P-C4' energy: -40.053
flat angles C4'-P-C4' energy: -48.183
flat angles P-C4'-P energy: -41.588
tors. eta vs tors. theta energy: -62.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -690.231640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.231640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.231640 (E_RNA)
where:
Base-Base interactions energy: -485.764
where: short stacking energy: -203.780
Base-Backbone interact. energy: -1.486
local terms energy: -202.981817
where:
bonds (distance) C4'-P energy: -46.397
bonds (distance) P-C4' energy: -35.709
flat angles C4'-P-C4' energy: -48.634
flat angles P-C4'-P energy: -30.195
tors. eta vs tors. theta energy: -42.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -623.131311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.131311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.131311 (E_RNA)
where:
Base-Base interactions energy: -413.007
where: short stacking energy: -174.390
Base-Backbone interact. energy: -0.984
local terms energy: -209.140290
where:
bonds (distance) C4'-P energy: -40.964
bonds (distance) P-C4' energy: -49.224
flat angles C4'-P-C4' energy: -45.055
flat angles P-C4'-P energy: -31.476
tors. eta vs tors. theta energy: -42.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -322.444409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.444409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.444409 (E_RNA)
where:
Base-Base interactions energy: -160.566
where: short stacking energy: -89.179
Base-Backbone interact. energy: -1.292
local terms energy: -160.586537
where:
bonds (distance) C4'-P energy: -48.512
bonds (distance) P-C4' energy: -46.783
flat angles C4'-P-C4' energy: -35.495
flat angles P-C4'-P energy: -26.470
tors. eta vs tors. theta energy: -3.326
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: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -955.778920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.778920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.778920 (E_RNA)
where:
Base-Base interactions energy: -664.762
where: short stacking energy: -269.213
Base-Backbone interact. energy: 0.152
local terms energy: -291.168905
where:
bonds (distance) C4'-P energy: -51.223
bonds (distance) P-C4' energy: -59.004
flat angles C4'-P-C4' energy: -60.172
flat angles P-C4'-P energy: -44.325
tors. eta vs tors. theta energy: -76.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -913.982940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.982940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.982940 (E_RNA)
where:
Base-Base interactions energy: -622.606
where: short stacking energy: -281.228
Base-Backbone interact. energy: -0.538
local terms energy: -290.839089
where:
bonds (distance) C4'-P energy: -53.913
bonds (distance) P-C4' energy: -52.271
flat angles C4'-P-C4' energy: -60.617
flat angles P-C4'-P energy: -45.346
tors. eta vs tors. theta energy: -78.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -873.350886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.350886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.350886 (E_RNA)
where:
Base-Base interactions energy: -614.044
where: short stacking energy: -261.068
Base-Backbone interact. energy: -0.600
local terms energy: -258.707393
where:
bonds (distance) C4'-P energy: -46.074
bonds (distance) P-C4' energy: -48.533
flat angles C4'-P-C4' energy: -52.310
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -72.011
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: 51
Temperature: 1.050000
Total energy: -819.640834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.640834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.640834 (E_RNA)
where:
Base-Base interactions energy: -565.435
where: short stacking energy: -236.016
Base-Backbone interact. energy: -0.942
local terms energy: -253.264164
where:
bonds (distance) C4'-P energy: -48.056
bonds (distance) P-C4' energy: -53.840
flat angles C4'-P-C4' energy: -55.095
flat angles P-C4'-P energy: -35.798
tors. eta vs tors. theta energy: -60.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -833.592144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.592144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.592144 (E_RNA)
where:
Base-Base interactions energy: -575.223
where: short stacking energy: -229.869
Base-Backbone interact. energy: -1.675
local terms energy: -256.694762
where:
bonds (distance) C4'-P energy: -51.525
bonds (distance) P-C4' energy: -46.342
flat angles C4'-P-C4' energy: -49.862
flat angles P-C4'-P energy: -40.897
tors. eta vs tors. theta energy: -68.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -785.415646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.415646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.415646 (E_RNA)
where:
Base-Base interactions energy: -535.017
where: short stacking energy: -236.813
Base-Backbone interact. energy: -0.821
local terms energy: -249.577015
where:
bonds (distance) C4'-P energy: -43.134
bonds (distance) P-C4' energy: -49.363
flat angles C4'-P-C4' energy: -52.201
flat angles P-C4'-P energy: -34.163
tors. eta vs tors. theta energy: -70.716
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: 2
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -733.159008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.159008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.159008 (E_RNA)
where:
Base-Base interactions energy: -505.077
where: short stacking energy: -201.311
Base-Backbone interact. energy: -2.090
local terms energy: -225.991292
where:
bonds (distance) C4'-P energy: -39.688
bonds (distance) P-C4' energy: -40.114
flat angles C4'-P-C4' energy: -49.675
flat angles P-C4'-P energy: -36.208
tors. eta vs tors. theta energy: -60.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -721.893227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.893227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.893227 (E_RNA)
where:
Base-Base interactions energy: -512.161
where: short stacking energy: -213.215
Base-Backbone interact. energy: -0.821
local terms energy: -208.910839
where:
bonds (distance) C4'-P energy: -41.264
bonds (distance) P-C4' energy: -47.494
flat angles C4'-P-C4' energy: -46.353
flat angles P-C4'-P energy: -24.941
tors. eta vs tors. theta energy: -48.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -639.326474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.326474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.326474 (E_RNA)
where:
Base-Base interactions energy: -418.008
where: short stacking energy: -180.241
Base-Backbone interact. energy: -0.043
local terms energy: -221.276191
where:
bonds (distance) C4'-P energy: -48.721
bonds (distance) P-C4' energy: -46.630
flat angles C4'-P-C4' energy: -45.571
flat angles P-C4'-P energy: -33.131
tors. eta vs tors. theta energy: -47.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -356.065930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.065930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.065930 (E_RNA)
where:
Base-Base interactions energy: -207.054
where: short stacking energy: -103.508
Base-Backbone interact. energy: -1.020
local terms energy: -147.991612
where:
bonds (distance) C4'-P energy: -38.324
bonds (distance) P-C4' energy: -45.245
flat angles C4'-P-C4' energy: -35.815
flat angles P-C4'-P energy: -21.927
tors. eta vs tors. theta energy: -6.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -926.955334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.955334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.955334 (E_RNA)
where:
Base-Base interactions energy: -633.720
where: short stacking energy: -289.923
Base-Backbone interact. energy: -3.127
local terms energy: -290.108794
where:
bonds (distance) C4'-P energy: -53.035
bonds (distance) P-C4' energy: -57.271
flat angles C4'-P-C4' energy: -52.468
flat angles P-C4'-P energy: -41.784
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: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -917.468102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.468102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.468102 (E_RNA)
where:
Base-Base interactions energy: -648.013
where: short stacking energy: -276.075
Base-Backbone interact. energy: 3.854
local terms energy: -273.308768
where:
bonds (distance) C4'-P energy: -47.884
bonds (distance) P-C4' energy: -52.915
flat angles C4'-P-C4' energy: -63.031
flat angles P-C4'-P energy: -36.435
tors. eta vs tors. theta energy: -73.043
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: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -865.487943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.487943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.487943 (E_RNA)
where:
Base-Base interactions energy: -605.376
where: short stacking energy: -252.791
Base-Backbone interact. energy: -1.380
local terms energy: -258.732547
where:
bonds (distance) C4'-P energy: -34.218
bonds (distance) P-C4' energy: -54.562
flat angles C4'-P-C4' energy: -56.394
flat angles P-C4'-P energy: -35.151
tors. eta vs tors. theta energy: -78.409
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: 4, replica: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -796.643332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.643332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.643332 (E_RNA)
where:
Base-Base interactions energy: -542.507
where: short stacking energy: -233.334
Base-Backbone interact. energy: -0.371
local terms energy: -253.764992
where:
bonds (distance) C4'-P energy: -44.291
bonds (distance) P-C4' energy: -56.741
flat angles C4'-P-C4' energy: -57.010
flat angles P-C4'-P energy: -37.559
tors. eta vs tors. theta energy: -58.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -817.838008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.838008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.838008 (E_RNA)
where:
Base-Base interactions energy: -592.067
where: short stacking energy: -222.457
Base-Backbone interact. energy: -0.831
local terms energy: -224.940590
where:
bonds (distance) C4'-P energy: -41.572
bonds (distance) P-C4' energy: -44.936
flat angles C4'-P-C4' energy: -54.359
flat angles P-C4'-P energy: -28.266
tors. eta vs tors. theta energy: -55.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -806.408046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.408046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.408046 (E_RNA)
where:
Base-Base interactions energy: -554.932
where: short stacking energy: -235.006
Base-Backbone interact. energy: -0.606
local terms energy: -250.869330
where:
bonds (distance) C4'-P energy: -42.695
bonds (distance) P-C4' energy: -47.985
flat angles C4'-P-C4' energy: -63.705
flat angles P-C4'-P energy: -39.047
tors. eta vs tors. theta energy: -57.439
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: 7, replica: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -723.239720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.239720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.239720 (E_RNA)
where:
Base-Base interactions energy: -494.894
where: short stacking energy: -209.548
Base-Backbone interact. energy: 1.677
local terms energy: -230.022216
where:
bonds (distance) C4'-P energy: -45.914
bonds (distance) P-C4' energy: -43.465
flat angles C4'-P-C4' energy: -49.889
flat angles P-C4'-P energy: -31.759
tors. eta vs tors. theta energy: -58.995
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: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -718.115474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.115474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.115474 (E_RNA)
where:
Base-Base interactions energy: -484.372
where: short stacking energy: -215.611
Base-Backbone interact. energy: -0.516
local terms energy: -233.227119
where:
bonds (distance) C4'-P energy: -41.778
bonds (distance) P-C4' energy: -57.662
flat angles C4'-P-C4' energy: -45.711
flat angles P-C4'-P energy: -35.218
tors. eta vs tors. theta energy: -52.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -628.036395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.036395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.036395 (E_RNA)
where:
Base-Base interactions energy: -415.321
where: short stacking energy: -181.847
Base-Backbone interact. energy: -0.065
local terms energy: -212.650232
where:
bonds (distance) C4'-P energy: -44.807
bonds (distance) P-C4' energy: -42.205
flat angles C4'-P-C4' energy: -49.254
flat angles P-C4'-P energy: -26.576
tors. eta vs tors. theta energy: -49.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -401.042850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.042850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.042850 (E_RNA)
where:
Base-Base interactions energy: -221.614
where: short stacking energy: -112.748
Base-Backbone interact. energy: -0.073
local terms energy: -179.356264
where:
bonds (distance) C4'-P energy: -37.561
bonds (distance) P-C4' energy: -41.620
flat angles C4'-P-C4' energy: -48.403
flat angles P-C4'-P energy: -28.035
tors. eta vs tors. theta energy: -23.737
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: 5
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -938.483777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.483777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.483777 (E_RNA)
where:
Base-Base interactions energy: -637.000
where: short stacking energy: -281.588
Base-Backbone interact. energy: -1.666
local terms energy: -299.817815
where:
bonds (distance) C4'-P energy: -55.084
bonds (distance) P-C4' energy: -50.400
flat angles C4'-P-C4' energy: -60.811
flat angles P-C4'-P energy: -48.254
tors. eta vs tors. theta energy: -85.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -922.987668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.987668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.987668 (E_RNA)
where:
Base-Base interactions energy: -650.129
where: short stacking energy: -273.925
Base-Backbone interact. energy: 2.572
local terms energy: -275.430913
where:
bonds (distance) C4'-P energy: -52.692
bonds (distance) P-C4' energy: -51.245
flat angles C4'-P-C4' energy: -55.962
flat angles P-C4'-P energy: -42.279
tors. eta vs tors. theta energy: -73.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -891.073578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.073578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.073578 (E_RNA)
where:
Base-Base interactions energy: -612.607
where: short stacking energy: -259.859
Base-Backbone interact. energy: -1.480
local terms energy: -276.987464
where:
bonds (distance) C4'-P energy: -54.989
bonds (distance) P-C4' energy: -49.964
flat angles C4'-P-C4' energy: -57.734
flat angles P-C4'-P energy: -37.333
tors. eta vs tors. theta energy: -76.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -857.438601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.438601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.438601 (E_RNA)
where:
Base-Base interactions energy: -607.818
where: short stacking energy: -241.982
Base-Backbone interact. energy: -1.198
local terms energy: -248.422507
where:
bonds (distance) C4'-P energy: -46.842
bonds (distance) P-C4' energy: -51.430
flat angles C4'-P-C4' energy: -49.902
flat angles P-C4'-P energy: -35.964
tors. eta vs tors. theta energy: -64.284
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: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -802.481500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.481500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.481500 (E_RNA)
where:
Base-Base interactions energy: -554.720
where: short stacking energy: -226.788
Base-Backbone interact. energy: -0.689
local terms energy: -247.072513
where:
bonds (distance) C4'-P energy: -47.280
bonds (distance) P-C4' energy: -47.345
flat angles C4'-P-C4' energy: -55.409
flat angles P-C4'-P energy: -32.880
tors. eta vs tors. theta energy: -64.159
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: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -781.035844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.035844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.035844 (E_RNA)
where:
Base-Base interactions energy: -522.489
where: short stacking energy: -232.942
Base-Backbone interact. energy: -0.856
local terms energy: -257.690981
where:
bonds (distance) C4'-P energy: -38.666
bonds (distance) P-C4' energy: -57.415
flat angles C4'-P-C4' energy: -58.008
flat angles P-C4'-P energy: -36.799
tors. eta vs tors. theta energy: -66.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -749.152038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.152038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.152038 (E_RNA)
where:
Base-Base interactions energy: -530.509
where: short stacking energy: -217.783
Base-Backbone interact. energy: -0.255
local terms energy: -218.387369
where:
bonds (distance) C4'-P energy: -36.215
bonds (distance) P-C4' energy: -42.356
flat angles C4'-P-C4' energy: -53.791
flat angles P-C4'-P energy: -31.779
tors. eta vs tors. theta energy: -54.246
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: 8, replica: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -695.712063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.712063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.712063 (E_RNA)
where:
Base-Base interactions energy: -469.983
where: short stacking energy: -203.634
Base-Backbone interact. energy: -0.213
local terms energy: -225.515857
where:
bonds (distance) C4'-P energy: -41.903
bonds (distance) P-C4' energy: -42.162
flat angles C4'-P-C4' energy: -52.533
flat angles P-C4'-P energy: -33.888
tors. eta vs tors. theta energy: -55.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -650.067466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.067466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.067466 (E_RNA)
where:
Base-Base interactions energy: -435.617
where: short stacking energy: -194.384
Base-Backbone interact. energy: -0.659
local terms energy: -213.792048
where:
bonds (distance) C4'-P energy: -45.127
bonds (distance) P-C4' energy: -44.354
flat angles C4'-P-C4' energy: -44.696
flat angles P-C4'-P energy: -32.815
tors. eta vs tors. theta energy: -46.799
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: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -374.296459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.296459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.296459 (E_RNA)
where:
Base-Base interactions energy: -212.379
where: short stacking energy: -98.826
Base-Backbone interact. energy: -1.614
local terms energy: -160.302993
where:
bonds (distance) C4'-P energy: -49.619
bonds (distance) P-C4' energy: -43.297
flat angles C4'-P-C4' energy: -40.223
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: -6.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -972.131351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.131351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.131351 (E_RNA)
where:
Base-Base interactions energy: -655.683
where: short stacking energy: -287.687
Base-Backbone interact. energy: -1.782
local terms energy: -314.665589
where:
bonds (distance) C4'-P energy: -58.416
bonds (distance) P-C4' energy: -55.964
flat angles C4'-P-C4' energy: -67.053
flat angles P-C4'-P energy: -49.366
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: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -920.769956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.769956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.769956 (E_RNA)
where:
Base-Base interactions energy: -644.119
where: short stacking energy: -259.312
Base-Backbone interact. energy: 1.655
local terms energy: -278.306290
where:
bonds (distance) C4'-P energy: -56.773
bonds (distance) P-C4' energy: -52.617
flat angles C4'-P-C4' energy: -60.244
flat angles P-C4'-P energy: -36.137
tors. eta vs tors. theta energy: -72.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -852.866099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.866099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.866099 (E_RNA)
where:
Base-Base interactions energy: -578.758
where: short stacking energy: -234.533
Base-Backbone interact. energy: -2.260
local terms energy: -271.847790
where:
bonds (distance) C4'-P energy: -52.374
bonds (distance) P-C4' energy: -54.083
flat angles C4'-P-C4' energy: -59.511
flat angles P-C4'-P energy: -41.743
tors. eta vs tors. theta energy: -64.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -847.538570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.538570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.538570 (E_RNA)
where:
Base-Base interactions energy: -578.593
where: short stacking energy: -244.443
Base-Backbone interact. energy: 0.274
local terms energy: -269.219519
where:
bonds (distance) C4'-P energy: -57.633
bonds (distance) P-C4' energy: -44.803
flat angles C4'-P-C4' energy: -54.947
flat angles P-C4'-P energy: -39.350
tors. eta vs tors. theta energy: -72.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -838.096610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.096610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.096610 (E_RNA)
where:
Base-Base interactions energy: -575.532
where: short stacking energy: -246.134
Base-Backbone interact. energy: -1.124
local terms energy: -261.440579
where:
bonds (distance) C4'-P energy: -53.990
bonds (distance) P-C4' energy: -41.723
flat angles C4'-P-C4' energy: -59.160
flat angles P-C4'-P energy: -36.658
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: 6, replica: 1
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -780.045573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.045573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.045573 (E_RNA)
where:
Base-Base interactions energy: -532.487
where: short stacking energy: -223.263
Base-Backbone interact. energy: -0.331
local terms energy: -247.227953
where:
bonds (distance) C4'-P energy: -49.696
bonds (distance) P-C4' energy: -38.177
flat angles C4'-P-C4' energy: -59.484
flat angles P-C4'-P energy: -34.206
tors. eta vs tors. theta energy: -65.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -737.848891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.848891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.848891 (E_RNA)
where:
Base-Base interactions energy: -502.557
where: short stacking energy: -200.958
Base-Backbone interact. energy: 6.862
local terms energy: -242.154100
where:
bonds (distance) C4'-P energy: -46.251
bonds (distance) P-C4' energy: -54.957
flat angles C4'-P-C4' energy: -52.823
flat angles P-C4'-P energy: -35.540
tors. eta vs tors. theta energy: -52.582
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: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -695.173526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.173526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.173526 (E_RNA)
where:
Base-Base interactions energy: -479.848
where: short stacking energy: -206.456
Base-Backbone interact. energy: -0.614
local terms energy: -214.711533
where:
bonds (distance) C4'-P energy: -43.369
bonds (distance) P-C4' energy: -42.469
flat angles C4'-P-C4' energy: -50.914
flat angles P-C4'-P energy: -31.847
tors. eta vs tors. theta energy: -46.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -635.983067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.983067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.983067 (E_RNA)
where:
Base-Base interactions energy: -425.603
where: short stacking energy: -187.761
Base-Backbone interact. energy: -0.773
local terms energy: -209.607195
where:
bonds (distance) C4'-P energy: -58.622
bonds (distance) P-C4' energy: -35.010
flat angles C4'-P-C4' energy: -47.468
flat angles P-C4'-P energy: -23.644
tors. eta vs tors. theta energy: -44.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -361.920473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.920473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.920473 (E_RNA)
where:
Base-Base interactions energy: -222.195
where: short stacking energy: -100.678
Base-Backbone interact. energy: 2.696
local terms energy: -142.421941
where:
bonds (distance) C4'-P energy: -42.820
bonds (distance) P-C4' energy: -38.397
flat angles C4'-P-C4' energy: -32.107
flat angles P-C4'-P energy: -20.807
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: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -950.943406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.943406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.943406 (E_RNA)
where:
Base-Base interactions energy: -648.430
where: short stacking energy: -290.775
Base-Backbone interact. energy: -0.401
local terms energy: -302.112790
where:
bonds (distance) C4'-P energy: -51.850
bonds (distance) P-C4' energy: -57.855
flat angles C4'-P-C4' energy: -61.505
flat angles P-C4'-P energy: -44.557
tors. eta vs tors. theta energy: -86.345
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: 9
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -923.884933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.884933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.884933 (E_RNA)
where:
Base-Base interactions energy: -652.532
where: short stacking energy: -271.638
Base-Backbone interact. energy: -0.347
local terms energy: -271.006184
where:
bonds (distance) C4'-P energy: -47.957
bonds (distance) P-C4' energy: -46.453
flat angles C4'-P-C4' energy: -59.417
flat angles P-C4'-P energy: -39.589
tors. eta vs tors. theta energy: -77.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -881.865131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.865131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.865131 (E_RNA)
where:
Base-Base interactions energy: -622.007
where: short stacking energy: -252.506
Base-Backbone interact. energy: -0.129
local terms energy: -259.728879
where:
bonds (distance) C4'-P energy: -44.947
bonds (distance) P-C4' energy: -49.699
flat angles C4'-P-C4' energy: -61.985
flat angles P-C4'-P energy: -38.444
tors. eta vs tors. theta energy: -64.653
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: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -855.205329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.205329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.205329 (E_RNA)
where:
Base-Base interactions energy: -588.578
where: short stacking energy: -253.071
Base-Backbone interact. energy: -1.395
local terms energy: -265.232052
where:
bonds (distance) C4'-P energy: -50.133
bonds (distance) P-C4' energy: -47.973
flat angles C4'-P-C4' energy: -57.730
flat angles P-C4'-P energy: -39.091
tors. eta vs tors. theta energy: -70.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -810.770100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.770100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.770100 (E_RNA)
where:
Base-Base interactions energy: -570.108
where: short stacking energy: -226.323
Base-Backbone interact. energy: -0.432
local terms energy: -240.229870
where:
bonds (distance) C4'-P energy: -52.661
bonds (distance) P-C4' energy: -37.394
flat angles C4'-P-C4' energy: -51.988
flat angles P-C4'-P energy: -35.837
tors. eta vs tors. theta energy: -62.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -798.929118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.929118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.929118 (E_RNA)
where:
Base-Base interactions energy: -559.766
where: short stacking energy: -237.667
Base-Backbone interact. energy: -1.599
local terms energy: -237.564085
where:
bonds (distance) C4'-P energy: -40.297
bonds (distance) P-C4' energy: -47.575
flat angles C4'-P-C4' energy: -50.183
flat angles P-C4'-P energy: -38.516
tors. eta vs tors. theta energy: -60.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -755.468858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.468858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.468858 (E_RNA)
where:
Base-Base interactions energy: -510.668
where: short stacking energy: -218.820
Base-Backbone interact. energy: -2.575
local terms energy: -242.226323
where:
bonds (distance) C4'-P energy: -47.241
bonds (distance) P-C4' energy: -48.676
flat angles C4'-P-C4' energy: -57.943
flat angles P-C4'-P energy: -33.872
tors. eta vs tors. theta energy: -54.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -690.553528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.553528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.553528 (E_RNA)
where:
Base-Base interactions energy: -466.056
where: short stacking energy: -204.457
Base-Backbone interact. energy: -0.939
local terms energy: -223.558547
where:
bonds (distance) C4'-P energy: -44.540
bonds (distance) P-C4' energy: -46.617
flat angles C4'-P-C4' energy: -54.094
flat angles P-C4'-P energy: -29.360
tors. eta vs tors. theta energy: -48.947
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: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -616.521168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.521168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.521168 (E_RNA)
where:
Base-Base interactions energy: -409.491
where: short stacking energy: -169.089
Base-Backbone interact. energy: -1.821
local terms energy: -205.209621
where:
bonds (distance) C4'-P energy: -41.400
bonds (distance) P-C4' energy: -40.143
flat angles C4'-P-C4' energy: -47.301
flat angles P-C4'-P energy: -31.524
tors. eta vs tors. theta energy: -44.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -391.465017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.465017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.465017 (E_RNA)
where:
Base-Base interactions energy: -223.726
where: short stacking energy: -114.229
Base-Backbone interact. energy: 0.839
local terms energy: -168.577782
where:
bonds (distance) C4'-P energy: -40.681
bonds (distance) P-C4' energy: -39.497
flat angles C4'-P-C4' energy: -48.698
flat angles P-C4'-P energy: -22.087
tors. eta vs tors. theta energy: -17.614
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: 1, replica: 5
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -942.364913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.364913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.364913 (E_RNA)
where:
Base-Base interactions energy: -659.233
where: short stacking energy: -292.714
Base-Backbone interact. energy: -0.480
local terms energy: -282.651644
where:
bonds (distance) C4'-P energy: -51.337
bonds (distance) P-C4' energy: -52.286
flat angles C4'-P-C4' energy: -55.711
flat angles P-C4'-P energy: -42.454
tors. eta vs tors. theta energy: -80.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -927.832955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.832955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.832955 (E_RNA)
where:
Base-Base interactions energy: -644.309
where: short stacking energy: -274.492
Base-Backbone interact. energy: -0.912
local terms energy: -282.611395
where:
bonds (distance) C4'-P energy: -52.472
bonds (distance) P-C4' energy: -49.441
flat angles C4'-P-C4' energy: -55.879
flat angles P-C4'-P energy: -45.172
tors. eta vs tors. theta energy: -79.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -883.123536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.123536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.123536 (E_RNA)
where:
Base-Base interactions energy: -600.499
where: short stacking energy: -260.194
Base-Backbone interact. energy: 1.119
local terms energy: -283.744398
where:
bonds (distance) C4'-P energy: -52.013
bonds (distance) P-C4' energy: -56.616
flat angles C4'-P-C4' energy: -60.859
flat angles P-C4'-P energy: -41.855
tors. eta vs tors. theta energy: -72.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -850.293628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.293628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.293628 (E_RNA)
where:
Base-Base interactions energy: -600.362
where: short stacking energy: -240.392
Base-Backbone interact. energy: 1.178
local terms energy: -251.110095
where:
bonds (distance) C4'-P energy: -54.438
bonds (distance) P-C4' energy: -49.610
flat angles C4'-P-C4' energy: -45.485
flat angles P-C4'-P energy: -41.317
tors. eta vs tors. theta energy: -60.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -794.311949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.311949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.311949 (E_RNA)
where:
Base-Base interactions energy: -559.181
where: short stacking energy: -221.404
Base-Backbone interact. energy: -0.417
local terms energy: -234.714300
where:
bonds (distance) C4'-P energy: -45.831
bonds (distance) P-C4' energy: -48.027
flat angles C4'-P-C4' energy: -53.539
flat angles P-C4'-P energy: -36.559
tors. eta vs tors. theta energy: -50.758
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: 6, replica: 7
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -784.678802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.678802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.678802 (E_RNA)
where:
Base-Base interactions energy: -541.144
where: short stacking energy: -222.103
Base-Backbone interact. energy: -0.953
local terms energy: -242.581363
where:
bonds (distance) C4'-P energy: -43.885
bonds (distance) P-C4' energy: -52.890
flat angles C4'-P-C4' energy: -51.646
flat angles P-C4'-P energy: -29.851
tors. eta vs tors. theta energy: -64.309
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: 2
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -731.928962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.928962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.928962 (E_RNA)
where:
Base-Base interactions energy: -499.075
where: short stacking energy: -207.213
Base-Backbone interact. energy: 1.215
local terms energy: -234.068270
where:
bonds (distance) C4'-P energy: -44.199
bonds (distance) P-C4' energy: -48.322
flat angles C4'-P-C4' energy: -52.091
flat angles P-C4'-P energy: -35.269
tors. eta vs tors. theta energy: -54.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -729.094160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.094160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.094160 (E_RNA)
where:
Base-Base interactions energy: -517.111
where: short stacking energy: -208.584
Base-Backbone interact. energy: 1.506
local terms energy: -213.488902
where:
bonds (distance) C4'-P energy: -47.929
bonds (distance) P-C4' energy: -33.716
flat angles C4'-P-C4' energy: -41.988
flat angles P-C4'-P energy: -39.708
tors. eta vs tors. theta energy: -50.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -622.492509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.492509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.492509 (E_RNA)
where:
Base-Base interactions energy: -432.419
where: short stacking energy: -184.369
Base-Backbone interact. energy: -1.590
local terms energy: -188.482830
where:
bonds (distance) C4'-P energy: -38.663
bonds (distance) P-C4' energy: -42.333
flat angles C4'-P-C4' energy: -52.256
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -40.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -421.186336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.186336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.186336 (E_RNA)
where:
Base-Base interactions energy: -256.968
where: short stacking energy: -102.272
Base-Backbone interact. energy: -1.051
local terms energy: -163.166907
where:
bonds (distance) C4'-P energy: -47.732
bonds (distance) P-C4' energy: -49.815
flat angles C4'-P-C4' energy: -37.681
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: 0.617
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: 1, replica: 5
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -935.334138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.334138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.334138 (E_RNA)
where:
Base-Base interactions energy: -638.006
where: short stacking energy: -278.793
Base-Backbone interact. energy: -2.543
local terms energy: -294.784968
where:
bonds (distance) C4'-P energy: -59.034
bonds (distance) P-C4' energy: -52.193
flat angles C4'-P-C4' energy: -65.034
flat angles P-C4'-P energy: -37.960
tors. eta vs tors. theta energy: -80.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -934.318386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.318386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.318386 (E_RNA)
where:
Base-Base interactions energy: -648.672
where: short stacking energy: -279.222
Base-Backbone interact. energy: -0.643
local terms energy: -285.003564
where:
bonds (distance) C4'-P energy: -52.648
bonds (distance) P-C4' energy: -57.749
flat angles C4'-P-C4' energy: -55.474
flat angles P-C4'-P energy: -44.449
tors. eta vs tors. theta energy: -74.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -857.587799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.587799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.587799 (E_RNA)
where:
Base-Base interactions energy: -595.551
where: short stacking energy: -264.341
Base-Backbone interact. energy: 0.483
local terms energy: -262.519893
where:
bonds (distance) C4'-P energy: -56.505
bonds (distance) P-C4' energy: -44.660
flat angles C4'-P-C4' energy: -51.890
flat angles P-C4'-P energy: -40.329
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: 4, replica: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -855.847791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.847791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.847791 (E_RNA)
where:
Base-Base interactions energy: -606.910
where: short stacking energy: -242.701
Base-Backbone interact. energy: 2.747
local terms energy: -251.685189
where:
bonds (distance) C4'-P energy: -37.863
bonds (distance) P-C4' energy: -58.313
flat angles C4'-P-C4' energy: -59.395
flat angles P-C4'-P energy: -37.765
tors. eta vs tors. theta energy: -58.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -805.104819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.104819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.104819 (E_RNA)
where:
Base-Base interactions energy: -564.970
where: short stacking energy: -240.169
Base-Backbone interact. energy: -0.804
local terms energy: -239.331215
where:
bonds (distance) C4'-P energy: -45.217
bonds (distance) P-C4' energy: -48.945
flat angles C4'-P-C4' energy: -49.740
flat angles P-C4'-P energy: -26.353
tors. eta vs tors. theta energy: -69.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -790.702873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.702873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.702873 (E_RNA)
where:
Base-Base interactions energy: -547.605
where: short stacking energy: -233.722
Base-Backbone interact. energy: -0.970
local terms energy: -242.127323
where:
bonds (distance) C4'-P energy: -37.548
bonds (distance) P-C4' energy: -55.245
flat angles C4'-P-C4' energy: -53.919
flat angles P-C4'-P energy: -28.218
tors. eta vs tors. theta energy: -67.197
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: 2
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -733.554260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.554260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.554260 (E_RNA)
where:
Base-Base interactions energy: -495.222
where: short stacking energy: -199.330
Base-Backbone interact. energy: -0.265
local terms energy: -238.066347
where:
bonds (distance) C4'-P energy: -51.624
bonds (distance) P-C4' energy: -47.404
flat angles C4'-P-C4' energy: -46.810
flat angles P-C4'-P energy: -34.720
tors. eta vs tors. theta energy: -57.509
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: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -708.967990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.967990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.967990 (E_RNA)
where:
Base-Base interactions energy: -494.653
where: short stacking energy: -202.831
Base-Backbone interact. energy: -1.605
local terms energy: -212.710039
where:
bonds (distance) C4'-P energy: -36.256
bonds (distance) P-C4' energy: -46.810
flat angles C4'-P-C4' energy: -42.629
flat angles P-C4'-P energy: -28.802
tors. eta vs tors. theta energy: -58.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -624.316853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.316853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.316853 (E_RNA)
where:
Base-Base interactions energy: -423.872
where: short stacking energy: -179.536
Base-Backbone interact. energy: 0.252
local terms energy: -200.697157
where:
bonds (distance) C4'-P energy: -40.552
bonds (distance) P-C4' energy: -36.411
flat angles C4'-P-C4' energy: -49.580
flat angles P-C4'-P energy: -34.391
tors. eta vs tors. theta energy: -39.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -446.418962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.418962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.418962 (E_RNA)
where:
Base-Base interactions energy: -282.897
where: short stacking energy: -120.925
Base-Backbone interact. energy: -0.598
local terms energy: -162.923971
where:
bonds (distance) C4'-P energy: -27.313
bonds (distance) P-C4' energy: -45.751
flat angles C4'-P-C4' energy: -41.149
flat angles P-C4'-P energy: -34.795
tors. eta vs tors. theta energy: -13.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -965.843374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.843374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.843374 (E_RNA)
where:
Base-Base interactions energy: -666.446
where: short stacking energy: -288.939
Base-Backbone interact. energy: -0.191
local terms energy: -299.206147
where:
bonds (distance) C4'-P energy: -53.407
bonds (distance) P-C4' energy: -54.394
flat angles C4'-P-C4' energy: -64.882
flat angles P-C4'-P energy: -41.854
tors. eta vs tors. theta energy: -84.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -928.443444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.443444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.443444 (E_RNA)
where:
Base-Base interactions energy: -649.464
where: short stacking energy: -278.989
Base-Backbone interact. energy: -0.777
local terms energy: -278.203323
where:
bonds (distance) C4'-P energy: -46.235
bonds (distance) P-C4' energy: -57.029
flat angles C4'-P-C4' energy: -53.940
flat angles P-C4'-P energy: -42.057
tors. eta vs tors. theta energy: -78.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -900.495089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.495089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.495089 (E_RNA)
where:
Base-Base interactions energy: -640.078
where: short stacking energy: -247.814
Base-Backbone interact. energy: 1.489
local terms energy: -261.906224
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -44.887
flat angles C4'-P-C4' energy: -59.844
flat angles P-C4'-P energy: -43.064
tors. eta vs tors. theta energy: -62.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -847.053301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.053301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.053301 (E_RNA)
where:
Base-Base interactions energy: -586.579
where: short stacking energy: -253.967
Base-Backbone interact. energy: -1.064
local terms energy: -259.409986
where:
bonds (distance) C4'-P energy: -52.291
bonds (distance) P-C4' energy: -40.131
flat angles C4'-P-C4' energy: -52.819
flat angles P-C4'-P energy: -46.147
tors. eta vs tors. theta energy: -68.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -808.150700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.150700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.150700 (E_RNA)
where:
Base-Base interactions energy: -547.495
where: short stacking energy: -221.228
Base-Backbone interact. energy: -1.259
local terms energy: -259.396191
where:
bonds (distance) C4'-P energy: -44.339
bonds (distance) P-C4' energy: -45.249
flat angles C4'-P-C4' energy: -56.750
flat angles P-C4'-P energy: -43.526
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: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -788.435830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.435830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.435830 (E_RNA)
where:
Base-Base interactions energy: -563.298
where: short stacking energy: -225.057
Base-Backbone interact. energy: -0.537
local terms energy: -224.601205
where:
bonds (distance) C4'-P energy: -46.466
bonds (distance) P-C4' energy: -32.845
flat angles C4'-P-C4' energy: -57.166
flat angles P-C4'-P energy: -31.868
tors. eta vs tors. theta energy: -56.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -749.375214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.375214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.375214 (E_RNA)
where:
Base-Base interactions energy: -531.176
where: short stacking energy: -230.531
Base-Backbone interact. energy: -0.476
local terms energy: -217.723171
where:
bonds (distance) C4'-P energy: -30.435
bonds (distance) P-C4' energy: -38.574
flat angles C4'-P-C4' energy: -48.664
flat angles P-C4'-P energy: -34.346
tors. eta vs tors. theta energy: -65.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -730.762433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.762433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.762433 (E_RNA)
where:
Base-Base interactions energy: -513.719
where: short stacking energy: -203.477
Base-Backbone interact. energy: -0.350
local terms energy: -216.692708
where:
bonds (distance) C4'-P energy: -49.308
bonds (distance) P-C4' energy: -42.676
flat angles C4'-P-C4' energy: -44.511
flat angles P-C4'-P energy: -22.522
tors. eta vs tors. theta energy: -57.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -579.233210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.233210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.233210 (E_RNA)
where:
Base-Base interactions energy: -396.198
where: short stacking energy: -163.612
Base-Backbone interact. energy: 0.042
local terms energy: -183.076382
where:
bonds (distance) C4'-P energy: -35.146
bonds (distance) P-C4' energy: -47.884
flat angles C4'-P-C4' energy: -36.240
flat angles P-C4'-P energy: -33.696
tors. eta vs tors. theta energy: -30.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -405.515897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.515897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.515897 (E_RNA)
where:
Base-Base interactions energy: -235.973
where: short stacking energy: -113.630
Base-Backbone interact. energy: 1.355
local terms energy: -170.898561
where:
bonds (distance) C4'-P energy: -41.323
bonds (distance) P-C4' energy: -44.514
flat angles C4'-P-C4' energy: -40.902
flat angles P-C4'-P energy: -25.580
tors. eta vs tors. theta energy: -18.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -951.668708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.668708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.668708 (E_RNA)
where:
Base-Base interactions energy: -658.275
where: short stacking energy: -285.319
Base-Backbone interact. energy: -0.479
local terms energy: -292.914922
where:
bonds (distance) C4'-P energy: -52.706
bonds (distance) P-C4' energy: -55.382
flat angles C4'-P-C4' energy: -59.465
flat angles P-C4'-P energy: -42.822
tors. eta vs tors. theta energy: -82.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -926.972472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.972472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.972472 (E_RNA)
where:
Base-Base interactions energy: -652.246
where: short stacking energy: -268.346
Base-Backbone interact. energy: 2.984
local terms energy: -277.710698
where:
bonds (distance) C4'-P energy: -58.134
bonds (distance) P-C4' energy: -46.336
flat angles C4'-P-C4' energy: -57.440
flat angles P-C4'-P energy: -43.703
tors. eta vs tors. theta energy: -72.098
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: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -853.151645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.151645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.151645 (E_RNA)
where:
Base-Base interactions energy: -579.443
where: short stacking energy: -238.193
Base-Backbone interact. energy: -1.076
local terms energy: -272.632475
where:
bonds (distance) C4'-P energy: -53.603
bonds (distance) P-C4' energy: -55.294
flat angles C4'-P-C4' energy: -56.550
flat angles P-C4'-P energy: -48.094
tors. eta vs tors. theta energy: -59.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -852.090227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.090227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.090227 (E_RNA)
where:
Base-Base interactions energy: -574.151
where: short stacking energy: -250.028
Base-Backbone interact. energy: -0.192
local terms energy: -277.746682
where:
bonds (distance) C4'-P energy: -48.805
bonds (distance) P-C4' energy: -54.851
flat angles C4'-P-C4' energy: -66.561
flat angles P-C4'-P energy: -39.831
tors. eta vs tors. theta energy: -67.699
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: 5, replica: 1
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -780.685397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.685397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.685397 (E_RNA)
where:
Base-Base interactions energy: -539.639
where: short stacking energy: -211.833
Base-Backbone interact. energy: -0.456
local terms energy: -240.590212
where:
bonds (distance) C4'-P energy: -49.321
bonds (distance) P-C4' energy: -47.367
flat angles C4'-P-C4' energy: -49.191
flat angles P-C4'-P energy: -37.103
tors. eta vs tors. theta energy: -57.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -738.418016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.418016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.418016 (E_RNA)
where:
Base-Base interactions energy: -510.167
where: short stacking energy: -211.754
Base-Backbone interact. energy: -0.509
local terms energy: -227.741914
where:
bonds (distance) C4'-P energy: -44.473
bonds (distance) P-C4' energy: -40.355
flat angles C4'-P-C4' energy: -57.162
flat angles P-C4'-P energy: -34.096
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: 7, replica: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -787.316996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.316996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.316996 (E_RNA)
where:
Base-Base interactions energy: -552.518
where: short stacking energy: -224.632
Base-Backbone interact. energy: -1.082
local terms energy: -233.716720
where:
bonds (distance) C4'-P energy: -50.406
bonds (distance) P-C4' energy: -44.932
flat angles C4'-P-C4' energy: -45.936
flat angles P-C4'-P energy: -31.740
tors. eta vs tors. theta energy: -60.703
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: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -732.325451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.325451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.325451 (E_RNA)
where:
Base-Base interactions energy: -514.586
where: short stacking energy: -205.037
Base-Backbone interact. energy: -0.465
local terms energy: -217.274525
where:
bonds (distance) C4'-P energy: -42.122
bonds (distance) P-C4' energy: -39.741
flat angles C4'-P-C4' energy: -47.250
flat angles P-C4'-P energy: -40.853
tors. eta vs tors. theta energy: -47.309
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: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -624.358610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.358610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.358610 (E_RNA)
where:
Base-Base interactions energy: -407.162
where: short stacking energy: -169.437
Base-Backbone interact. energy: -1.185
local terms energy: -216.011286
where:
bonds (distance) C4'-P energy: -46.518
bonds (distance) P-C4' energy: -51.399
flat angles C4'-P-C4' energy: -42.333
flat angles P-C4'-P energy: -31.441
tors. eta vs tors. theta energy: -44.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -421.212366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.212366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.212366 (E_RNA)
where:
Base-Base interactions energy: -239.327
where: short stacking energy: -126.787
Base-Backbone interact. energy: -1.134
local terms energy: -180.751971
where:
bonds (distance) C4'-P energy: -43.024
bonds (distance) P-C4' energy: -48.253
flat angles C4'-P-C4' energy: -35.861
flat angles P-C4'-P energy: -24.791
tors. eta vs tors. theta energy: -28.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -928.635509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.635509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.635509 (E_RNA)
where:
Base-Base interactions energy: -647.378
where: short stacking energy: -264.226
Base-Backbone interact. energy: 0.488
local terms energy: -281.745407
where:
bonds (distance) C4'-P energy: -57.536
bonds (distance) P-C4' energy: -47.737
flat angles C4'-P-C4' energy: -57.369
flat angles P-C4'-P energy: -46.356
tors. eta vs tors. theta energy: -72.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -923.055922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.055922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.055922 (E_RNA)
where:
Base-Base interactions energy: -635.043
where: short stacking energy: -280.014
Base-Backbone interact. energy: 0.166
local terms energy: -288.178570
where:
bonds (distance) C4'-P energy: -51.169
bonds (distance) P-C4' energy: -56.569
flat angles C4'-P-C4' energy: -53.628
flat angles P-C4'-P energy: -44.497
tors. eta vs tors. theta energy: -82.315
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: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -855.620600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.620600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.620600 (E_RNA)
where:
Base-Base interactions energy: -605.841
where: short stacking energy: -238.160
Base-Backbone interact. energy: -1.926
local terms energy: -247.853913
where:
bonds (distance) C4'-P energy: -46.370
bonds (distance) P-C4' energy: -43.865
flat angles C4'-P-C4' energy: -54.314
flat angles P-C4'-P energy: -41.328
tors. eta vs tors. theta energy: -61.977
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: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -822.156660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.156660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.156660 (E_RNA)
where:
Base-Base interactions energy: -563.708
where: short stacking energy: -240.120
Base-Backbone interact. energy: 0.878
local terms energy: -259.326836
where:
bonds (distance) C4'-P energy: -56.124
bonds (distance) P-C4' energy: -46.386
flat angles C4'-P-C4' energy: -52.285
flat angles P-C4'-P energy: -36.918
tors. eta vs tors. theta energy: -67.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -797.262868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.262868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.262868 (E_RNA)
where:
Base-Base interactions energy: -557.698
where: short stacking energy: -230.346
Base-Backbone interact. energy: -1.011
local terms energy: -238.554074
where:
bonds (distance) C4'-P energy: -44.066
bonds (distance) P-C4' energy: -47.052
flat angles C4'-P-C4' energy: -47.572
flat angles P-C4'-P energy: -35.292
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: 6
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -754.771998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.771998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.771998 (E_RNA)
where:
Base-Base interactions energy: -521.940
where: short stacking energy: -225.694
Base-Backbone interact. energy: 0.285
local terms energy: -233.117394
where:
bonds (distance) C4'-P energy: -42.459
bonds (distance) P-C4' energy: -49.090
flat angles C4'-P-C4' energy: -49.379
flat angles P-C4'-P energy: -36.404
tors. eta vs tors. theta energy: -55.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -771.119030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.119030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.119030 (E_RNA)
where:
Base-Base interactions energy: -547.527
where: short stacking energy: -220.341
Base-Backbone interact. energy: -0.622
local terms energy: -222.969624
where:
bonds (distance) C4'-P energy: -40.869
bonds (distance) P-C4' energy: -48.906
flat angles C4'-P-C4' energy: -52.390
flat angles P-C4'-P energy: -27.094
tors. eta vs tors. theta energy: -53.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -724.642344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.642344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.642344 (E_RNA)
where:
Base-Base interactions energy: -511.761
where: short stacking energy: -210.303
Base-Backbone interact. energy: -0.565
local terms energy: -212.317094
where:
bonds (distance) C4'-P energy: -44.932
bonds (distance) P-C4' energy: -41.760
flat angles C4'-P-C4' energy: -46.460
flat angles P-C4'-P energy: -22.826
tors. eta vs tors. theta energy: -56.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -598.542768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.542768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.542768 (E_RNA)
where:
Base-Base interactions energy: -416.938
where: short stacking energy: -159.350
Base-Backbone interact. energy: -0.273
local terms energy: -181.331247
where:
bonds (distance) C4'-P energy: -52.712
bonds (distance) P-C4' energy: -46.848
flat angles C4'-P-C4' energy: -29.645
flat angles P-C4'-P energy: -19.355
tors. eta vs tors. theta energy: -32.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -408.014715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.014715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.014715 (E_RNA)
where:
Base-Base interactions energy: -242.855
where: short stacking energy: -114.500
Base-Backbone interact. energy: 1.197
local terms energy: -166.356627
where:
bonds (distance) C4'-P energy: -43.234
bonds (distance) P-C4' energy: -46.242
flat angles C4'-P-C4' energy: -42.711
flat angles P-C4'-P energy: -18.961
tors. eta vs tors. theta energy: -15.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -928.121552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.121552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.121552 (E_RNA)
where:
Base-Base interactions energy: -633.780
where: short stacking energy: -268.514
Base-Backbone interact. energy: -2.116
local terms energy: -292.226040
where:
bonds (distance) C4'-P energy: -59.386
bonds (distance) P-C4' energy: -56.862
flat angles C4'-P-C4' energy: -61.360
flat angles P-C4'-P energy: -43.631
tors. eta vs tors. theta energy: -70.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -926.698487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.698487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.698487 (E_RNA)
where:
Base-Base interactions energy: -631.058
where: short stacking energy: -270.917
Base-Backbone interact. energy: -0.641
local terms energy: -294.999408
where:
bonds (distance) C4'-P energy: -52.745
bonds (distance) P-C4' energy: -54.199
flat angles C4'-P-C4' energy: -62.762
flat angles P-C4'-P energy: -41.561
tors. eta vs tors. theta energy: -83.732
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: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -883.418517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.418517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.418517 (E_RNA)
where:
Base-Base interactions energy: -611.195
where: short stacking energy: -250.032
Base-Backbone interact. energy: -0.984
local terms energy: -271.239703
where:
bonds (distance) C4'-P energy: -51.559
bonds (distance) P-C4' energy: -47.796
flat angles C4'-P-C4' energy: -58.207
flat angles P-C4'-P energy: -39.826
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: 4, replica: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -815.847935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.847935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.847935 (E_RNA)
where:
Base-Base interactions energy: -568.206
where: short stacking energy: -250.478
Base-Backbone interact. energy: -0.595
local terms energy: -247.046295
where:
bonds (distance) C4'-P energy: -52.267
bonds (distance) P-C4' energy: -42.667
flat angles C4'-P-C4' energy: -50.931
flat angles P-C4'-P energy: -31.335
tors. eta vs tors. theta energy: -69.847
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: 1
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -807.350355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.350355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.350355 (E_RNA)
where:
Base-Base interactions energy: -546.678
where: short stacking energy: -227.308
Base-Backbone interact. energy: -0.881
local terms energy: -259.790633
where:
bonds (distance) C4'-P energy: -45.472
bonds (distance) P-C4' energy: -49.371
flat angles C4'-P-C4' energy: -54.237
flat angles P-C4'-P energy: -44.770
tors. eta vs tors. theta energy: -65.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -798.470862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.470862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.470862 (E_RNA)
where:
Base-Base interactions energy: -558.521
where: short stacking energy: -230.249
Base-Backbone interact. energy: -1.313
local terms energy: -238.636163
where:
bonds (distance) C4'-P energy: -54.950
bonds (distance) P-C4' energy: -39.711
flat angles C4'-P-C4' energy: -48.300
flat angles P-C4'-P energy: -30.685
tors. eta vs tors. theta energy: -64.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -738.081796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.081796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.081796 (E_RNA)
where:
Base-Base interactions energy: -500.671
where: short stacking energy: -212.176
Base-Backbone interact. energy: -0.432
local terms energy: -236.978223
where:
bonds (distance) C4'-P energy: -39.419
bonds (distance) P-C4' energy: -47.954
flat angles C4'-P-C4' energy: -55.607
flat angles P-C4'-P energy: -41.187
tors. eta vs tors. theta energy: -52.811
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: 8, replica: 2
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -731.094414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.094414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.094414 (E_RNA)
where:
Base-Base interactions energy: -488.760
where: short stacking energy: -213.602
Base-Backbone interact. energy: -0.425
local terms energy: -241.909129
where:
bonds (distance) C4'-P energy: -43.100
bonds (distance) P-C4' energy: -40.022
flat angles C4'-P-C4' energy: -50.233
flat angles P-C4'-P energy: -37.764
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: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -606.069543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.069543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.069543 (E_RNA)
where:
Base-Base interactions energy: -389.814
where: short stacking energy: -162.012
Base-Backbone interact. energy: -0.431
local terms energy: -215.824926
where:
bonds (distance) C4'-P energy: -43.152
bonds (distance) P-C4' energy: -42.748
flat angles C4'-P-C4' energy: -52.078
flat angles P-C4'-P energy: -30.158
tors. eta vs tors. theta energy: -47.688
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: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -370.875420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.875420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.875420 (E_RNA)
where:
Base-Base interactions energy: -202.304
where: short stacking energy: -97.705
Base-Backbone interact. energy: -1.438
local terms energy: -167.132630
where:
bonds (distance) C4'-P energy: -50.314
bonds (distance) P-C4' energy: -47.984
flat angles C4'-P-C4' energy: -34.701
flat angles P-C4'-P energy: -23.007
tors. eta vs tors. theta energy: -11.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -944.826066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.826066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.826066 (E_RNA)
where:
Base-Base interactions energy: -662.542
where: short stacking energy: -280.997
Base-Backbone interact. energy: -1.874
local terms energy: -280.410296
where:
bonds (distance) C4'-P energy: -43.936
bonds (distance) P-C4' energy: -53.178
flat angles C4'-P-C4' energy: -60.926
flat angles P-C4'-P energy: -38.710
tors. eta vs tors. theta energy: -83.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -918.672624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.672624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.672624 (E_RNA)
where:
Base-Base interactions energy: -625.977
where: short stacking energy: -276.103
Base-Backbone interact. energy: -0.412
local terms energy: -292.283200
where:
bonds (distance) C4'-P energy: -51.965
bonds (distance) P-C4' energy: -56.022
flat angles C4'-P-C4' energy: -59.890
flat angles P-C4'-P energy: -48.449
tors. eta vs tors. theta energy: -75.958
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: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -886.795898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.795898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.795898 (E_RNA)
where:
Base-Base interactions energy: -614.581
where: short stacking energy: -264.627
Base-Backbone interact. energy: 2.712
local terms energy: -274.926785
where:
bonds (distance) C4'-P energy: -55.337
bonds (distance) P-C4' energy: -49.726
flat angles C4'-P-C4' energy: -62.495
flat angles P-C4'-P energy: -39.822
tors. eta vs tors. theta energy: -67.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -826.877825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.877825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.877825 (E_RNA)
where:
Base-Base interactions energy: -575.094
where: short stacking energy: -244.828
Base-Backbone interact. energy: -0.182
local terms energy: -251.602283
where:
bonds (distance) C4'-P energy: -40.859
bonds (distance) P-C4' energy: -56.109
flat angles C4'-P-C4' energy: -53.264
flat angles P-C4'-P energy: -29.353
tors. eta vs tors. theta energy: -72.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -811.877048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.877048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.877048 (E_RNA)
where:
Base-Base interactions energy: -561.348
where: short stacking energy: -237.824
Base-Backbone interact. energy: -0.393
local terms energy: -250.136371
where:
bonds (distance) C4'-P energy: -45.358
bonds (distance) P-C4' energy: -50.683
flat angles C4'-P-C4' energy: -52.815
flat angles P-C4'-P energy: -34.141
tors. eta vs tors. theta energy: -67.140
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: 6, replica: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -806.598135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.598135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.598135 (E_RNA)
where:
Base-Base interactions energy: -562.929
where: short stacking energy: -235.650
Base-Backbone interact. energy: 0.386
local terms energy: -244.055465
where:
bonds (distance) C4'-P energy: -44.730
bonds (distance) P-C4' energy: -46.849
flat angles C4'-P-C4' energy: -54.954
flat angles P-C4'-P energy: -35.122
tors. eta vs tors. theta energy: -62.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -732.404759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.404759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.404759 (E_RNA)
where:
Base-Base interactions energy: -510.509
where: short stacking energy: -208.893
Base-Backbone interact. energy: -1.166
local terms energy: -220.729373
where:
bonds (distance) C4'-P energy: -43.032
bonds (distance) P-C4' energy: -58.851
flat angles C4'-P-C4' energy: -52.450
flat angles P-C4'-P energy: -18.747
tors. eta vs tors. theta energy: -47.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -725.107425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.107425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.107425 (E_RNA)
where:
Base-Base interactions energy: -501.622
where: short stacking energy: -218.711
Base-Backbone interact. energy: 0.502
local terms energy: -223.987367
where:
bonds (distance) C4'-P energy: -46.110
bonds (distance) P-C4' energy: -50.171
flat angles C4'-P-C4' energy: -46.530
flat angles P-C4'-P energy: -21.315
tors. eta vs tors. theta energy: -59.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -521.646138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.646138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.646138 (E_RNA)
where:
Base-Base interactions energy: -339.155
where: short stacking energy: -136.080
Base-Backbone interact. energy: -0.256
local terms energy: -182.234971
where:
bonds (distance) C4'-P energy: -44.064
bonds (distance) P-C4' energy: -54.296
flat angles C4'-P-C4' energy: -40.037
flat angles P-C4'-P energy: -23.400
tors. eta vs tors. theta energy: -20.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -420.279782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.279782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.279782 (E_RNA)
where:
Base-Base interactions energy: -259.812
where: short stacking energy: -133.112
Base-Backbone interact. energy: -2.275
local terms energy: -158.192923
where:
bonds (distance) C4'-P energy: -36.640
bonds (distance) P-C4' energy: -46.632
flat angles C4'-P-C4' energy: -42.693
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -14.166
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: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -958.674520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.674520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.674520 (E_RNA)
where:
Base-Base interactions energy: -666.366
where: short stacking energy: -280.929
Base-Backbone interact. energy: -0.423
local terms energy: -291.885031
where:
bonds (distance) C4'-P energy: -54.010
bonds (distance) P-C4' energy: -54.028
flat angles C4'-P-C4' energy: -59.608
flat angles P-C4'-P energy: -41.409
tors. eta vs tors. theta energy: -82.830
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: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -920.189453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.189453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.189453 (E_RNA)
where:
Base-Base interactions energy: -641.564
where: short stacking energy: -274.269
Base-Backbone interact. energy: -0.070
local terms energy: -278.555946
where:
bonds (distance) C4'-P energy: -53.094
bonds (distance) P-C4' energy: -48.736
flat angles C4'-P-C4' energy: -56.898
flat angles P-C4'-P energy: -39.956
tors. eta vs tors. theta energy: -79.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -895.282983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.282983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.282983 (E_RNA)
where:
Base-Base interactions energy: -631.414
where: short stacking energy: -264.391
Base-Backbone interact. energy: 0.447
local terms energy: -264.316092
where:
bonds (distance) C4'-P energy: -48.907
bonds (distance) P-C4' energy: -42.303
flat angles C4'-P-C4' energy: -61.461
flat angles P-C4'-P energy: -41.770
tors. eta vs tors. theta energy: -69.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -832.011957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.011957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.011957 (E_RNA)
where:
Base-Base interactions energy: -576.472
where: short stacking energy: -228.924
Base-Backbone interact. energy: 1.449
local terms energy: -256.988593
where:
bonds (distance) C4'-P energy: -44.114
bonds (distance) P-C4' energy: -51.745
flat angles C4'-P-C4' energy: -57.186
flat angles P-C4'-P energy: -42.467
tors. eta vs tors. theta energy: -61.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -800.525988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.525988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.525988 (E_RNA)
where:
Base-Base interactions energy: -555.738
where: short stacking energy: -233.875
Base-Backbone interact. energy: -0.900
local terms energy: -243.888149
where:
bonds (distance) C4'-P energy: -50.345
bonds (distance) P-C4' energy: -45.098
flat angles C4'-P-C4' energy: -53.965
flat angles P-C4'-P energy: -28.929
tors. eta vs tors. theta energy: -65.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -802.601550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.601550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.601550 (E_RNA)
where:
Base-Base interactions energy: -569.915
where: short stacking energy: -234.897
Base-Backbone interact. energy: 5.807
local terms energy: -238.492919
where:
bonds (distance) C4'-P energy: -36.718
bonds (distance) P-C4' energy: -49.976
flat angles C4'-P-C4' energy: -55.095
flat angles P-C4'-P energy: -36.494
tors. eta vs tors. theta energy: -60.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -735.227825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.227825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.227825 (E_RNA)
where:
Base-Base interactions energy: -512.347
where: short stacking energy: -215.087
Base-Backbone interact. energy: -1.308
local terms energy: -221.573078
where:
bonds (distance) C4'-P energy: -44.973
bonds (distance) P-C4' energy: -31.776
flat angles C4'-P-C4' energy: -61.372
flat angles P-C4'-P energy: -29.946
tors. eta vs tors. theta energy: -53.506
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: 8, replica: 2
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -710.890628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.890628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.890628 (E_RNA)
where:
Base-Base interactions energy: -500.322
where: short stacking energy: -206.601
Base-Backbone interact. energy: -1.106
local terms energy: -209.463022
where:
bonds (distance) C4'-P energy: -34.931
bonds (distance) P-C4' energy: -50.975
flat angles C4'-P-C4' energy: -50.761
flat angles P-C4'-P energy: -27.189
tors. eta vs tors. theta energy: -45.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -544.527251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.527251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.527251 (E_RNA)
where:
Base-Base interactions energy: -356.148
where: short stacking energy: -154.025
Base-Backbone interact. energy: 0.515
local terms energy: -188.893652
where:
bonds (distance) C4'-P energy: -37.654
bonds (distance) P-C4' energy: -44.178
flat angles C4'-P-C4' energy: -46.322
flat angles P-C4'-P energy: -20.309
tors. eta vs tors. theta energy: -40.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -407.686651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.686651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.686651 (E_RNA)
where:
Base-Base interactions energy: -230.826
where: short stacking energy: -107.712
Base-Backbone interact. energy: -0.517
local terms energy: -176.343807
where:
bonds (distance) C4'-P energy: -43.230
bonds (distance) P-C4' energy: -52.879
flat angles C4'-P-C4' energy: -50.503
flat angles P-C4'-P energy: -28.172
tors. eta vs tors. theta energy: -1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -967.240628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.240628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.240628 (E_RNA)
where:
Base-Base interactions energy: -669.359
where: short stacking energy: -285.672
Base-Backbone interact. energy: -1.286
local terms energy: -296.595000
where:
bonds (distance) C4'-P energy: -51.287
bonds (distance) P-C4' energy: -53.315
flat angles C4'-P-C4' energy: -65.268
flat angles P-C4'-P energy: -46.079
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: 2, replica: 9
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -920.533131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.533131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.533131 (E_RNA)
where:
Base-Base interactions energy: -645.695
where: short stacking energy: -271.328
Base-Backbone interact. energy: -2.192
local terms energy: -272.646698
where:
bonds (distance) C4'-P energy: -45.534
bonds (distance) P-C4' energy: -49.126
flat angles C4'-P-C4' energy: -64.498
flat angles P-C4'-P energy: -37.071
tors. eta vs tors. theta energy: -76.419
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: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -888.209444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.209444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.209444 (E_RNA)
where:
Base-Base interactions energy: -623.471
where: short stacking energy: -245.494
Base-Backbone interact. energy: -3.066
local terms energy: -261.672547
where:
bonds (distance) C4'-P energy: -47.521
bonds (distance) P-C4' energy: -52.111
flat angles C4'-P-C4' energy: -51.483
flat angles P-C4'-P energy: -38.641
tors. eta vs tors. theta energy: -71.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -839.039599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.039599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.039599 (E_RNA)
where:
Base-Base interactions energy: -580.762
where: short stacking energy: -251.992
Base-Backbone interact. energy: 1.133
local terms energy: -259.410595
where:
bonds (distance) C4'-P energy: -41.469
bonds (distance) P-C4' energy: -48.255
flat angles C4'-P-C4' energy: -58.307
flat angles P-C4'-P energy: -40.197
tors. eta vs tors. theta energy: -71.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -835.527407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.527407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.527407 (E_RNA)
where:
Base-Base interactions energy: -582.688
where: short stacking energy: -251.187
Base-Backbone interact. energy: -1.669
local terms energy: -251.171081
where:
bonds (distance) C4'-P energy: -37.144
bonds (distance) P-C4' energy: -50.108
flat angles C4'-P-C4' energy: -53.921
flat angles P-C4'-P energy: -44.434
tors. eta vs tors. theta energy: -65.564
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: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -791.404685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.404685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.404685 (E_RNA)
where:
Base-Base interactions energy: -538.537
where: short stacking energy: -234.130
Base-Backbone interact. energy: -0.558
local terms energy: -252.309993
where:
bonds (distance) C4'-P energy: -49.379
bonds (distance) P-C4' energy: -48.886
flat angles C4'-P-C4' energy: -57.214
flat angles P-C4'-P energy: -35.471
tors. eta vs tors. theta energy: -61.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -754.489804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.489804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.489804 (E_RNA)
where:
Base-Base interactions energy: -512.185
where: short stacking energy: -216.090
Base-Backbone interact. energy: -0.281
local terms energy: -242.023671
where:
bonds (distance) C4'-P energy: -54.096
bonds (distance) P-C4' energy: -46.807
flat angles C4'-P-C4' energy: -50.341
flat angles P-C4'-P energy: -32.379
tors. eta vs tors. theta energy: -58.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -709.528155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.528155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.528155 (E_RNA)
where:
Base-Base interactions energy: -476.280
where: short stacking energy: -198.397
Base-Backbone interact. energy: -2.300
local terms energy: -230.948092
where:
bonds (distance) C4'-P energy: -48.063
bonds (distance) P-C4' energy: -46.586
flat angles C4'-P-C4' energy: -47.885
flat angles P-C4'-P energy: -33.434
tors. eta vs tors. theta energy: -54.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -531.763747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.763747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.763747 (E_RNA)
where:
Base-Base interactions energy: -352.671
where: short stacking energy: -164.421
Base-Backbone interact. energy: -0.632
local terms energy: -178.461415
where:
bonds (distance) C4'-P energy: -46.353
bonds (distance) P-C4' energy: -41.353
flat angles C4'-P-C4' energy: -33.987
flat angles P-C4'-P energy: -24.456
tors. eta vs tors. theta energy: -32.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -443.784689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.784689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.784689 (E_RNA)
where:
Base-Base interactions energy: -273.821
where: short stacking energy: -129.214
Base-Backbone interact. energy: 1.633
local terms energy: -171.596491
where:
bonds (distance) C4'-P energy: -44.872
bonds (distance) P-C4' energy: -37.843
flat angles C4'-P-C4' energy: -43.692
flat angles P-C4'-P energy: -22.895
tors. eta vs tors. theta energy: -22.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -969.598982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.598982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.598982 (E_RNA)
where:
Base-Base interactions energy: -660.314
where: short stacking energy: -275.903
Base-Backbone interact. energy: -0.482
local terms energy: -308.802910
where:
bonds (distance) C4'-P energy: -56.608
bonds (distance) P-C4' energy: -57.426
flat angles C4'-P-C4' energy: -64.081
flat angles P-C4'-P energy: -44.933
tors. eta vs tors. theta energy: -85.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -924.420646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.420646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.420646 (E_RNA)
where:
Base-Base interactions energy: -647.443
where: short stacking energy: -269.872
Base-Backbone interact. energy: 1.293
local terms energy: -278.270686
where:
bonds (distance) C4'-P energy: -51.565
bonds (distance) P-C4' energy: -44.895
flat angles C4'-P-C4' energy: -59.082
flat angles P-C4'-P energy: -43.329
tors. eta vs tors. theta energy: -79.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -906.214280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.214280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.214280 (E_RNA)
where:
Base-Base interactions energy: -619.925
where: short stacking energy: -266.113
Base-Backbone interact. energy: -1.061
local terms energy: -285.228175
where:
bonds (distance) C4'-P energy: -50.037
bonds (distance) P-C4' energy: -53.941
flat angles C4'-P-C4' energy: -62.352
flat angles P-C4'-P energy: -52.149
tors. eta vs tors. theta energy: -66.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -852.988811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.988811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.988811 (E_RNA)
where:
Base-Base interactions energy: -596.127
where: short stacking energy: -231.521
Base-Backbone interact. energy: -0.576
local terms energy: -256.286548
where:
bonds (distance) C4'-P energy: -39.660
bonds (distance) P-C4' energy: -51.635
flat angles C4'-P-C4' energy: -60.209
flat angles P-C4'-P energy: -43.204
tors. eta vs tors. theta energy: -61.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -816.151001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.151001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.151001 (E_RNA)
where:
Base-Base interactions energy: -562.785
where: short stacking energy: -248.745
Base-Backbone interact. energy: -0.598
local terms energy: -252.768289
where:
bonds (distance) C4'-P energy: -46.418
bonds (distance) P-C4' energy: -36.354
flat angles C4'-P-C4' energy: -53.608
flat angles P-C4'-P energy: -39.825
tors. eta vs tors. theta energy: -76.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -800.593630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.593630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.593630 (E_RNA)
where:
Base-Base interactions energy: -554.681
where: short stacking energy: -245.736
Base-Backbone interact. energy: -0.511
local terms energy: -245.401560
where:
bonds (distance) C4'-P energy: -48.381
bonds (distance) P-C4' energy: -50.139
flat angles C4'-P-C4' energy: -55.311
flat angles P-C4'-P energy: -27.404
tors. eta vs tors. theta energy: -64.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -724.136495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.136495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.136495 (E_RNA)
where:
Base-Base interactions energy: -509.475
where: short stacking energy: -212.486
Base-Backbone interact. energy: -0.387
local terms energy: -214.275111
where:
bonds (distance) C4'-P energy: -45.740
bonds (distance) P-C4' energy: -39.240
flat angles C4'-P-C4' energy: -49.016
flat angles P-C4'-P energy: -24.863
tors. eta vs tors. theta energy: -55.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -741.342527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.342527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.342527 (E_RNA)
where:
Base-Base interactions energy: -532.600
where: short stacking energy: -224.122
Base-Backbone interact. energy: 2.157
local terms energy: -210.899723
where:
bonds (distance) C4'-P energy: -41.014
bonds (distance) P-C4' energy: -39.541
flat angles C4'-P-C4' energy: -47.566
flat angles P-C4'-P energy: -31.838
tors. eta vs tors. theta energy: -50.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -518.121688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.121688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.121688 (E_RNA)
where:
Base-Base interactions energy: -317.977
where: short stacking energy: -151.326
Base-Backbone interact. energy: 0.304
local terms energy: -200.448944
where:
bonds (distance) C4'-P energy: -46.303
bonds (distance) P-C4' energy: -49.875
flat angles C4'-P-C4' energy: -39.191
flat angles P-C4'-P energy: -34.101
tors. eta vs tors. theta energy: -30.979
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: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -433.947951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.947951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.947951 (E_RNA)
where:
Base-Base interactions energy: -258.273
where: short stacking energy: -116.659
Base-Backbone interact. energy: -0.635
local terms energy: -175.040179
where:
bonds (distance) C4'-P energy: -52.513
bonds (distance) P-C4' energy: -37.483
flat angles C4'-P-C4' energy: -49.814
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -16.105
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: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -952.255316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.255316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.255316 (E_RNA)
where:
Base-Base interactions energy: -673.023
where: short stacking energy: -280.464
Base-Backbone interact. energy: -0.575
local terms energy: -278.658098
where:
bonds (distance) C4'-P energy: -52.446
bonds (distance) P-C4' energy: -49.226
flat angles C4'-P-C4' energy: -58.776
flat angles P-C4'-P energy: -39.068
tors. eta vs tors. theta energy: -79.142
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: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -951.802387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.802387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.802387 (E_RNA)
where:
Base-Base interactions energy: -676.222
where: short stacking energy: -280.428
Base-Backbone interact. energy: -0.871
local terms energy: -274.708602
where:
bonds (distance) C4'-P energy: -49.968
bonds (distance) P-C4' energy: -40.232
flat angles C4'-P-C4' energy: -63.665
flat angles P-C4'-P energy: -38.060
tors. eta vs tors. theta energy: -82.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -895.662454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.662454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.662454 (E_RNA)
where:
Base-Base interactions energy: -635.629
where: short stacking energy: -261.060
Base-Backbone interact. energy: -2.067
local terms energy: -257.966281
where:
bonds (distance) C4'-P energy: -44.220
bonds (distance) P-C4' energy: -48.007
flat angles C4'-P-C4' energy: -63.072
flat angles P-C4'-P energy: -33.332
tors. eta vs tors. theta energy: -69.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -852.500530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.500530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.500530 (E_RNA)
where:
Base-Base interactions energy: -599.585
where: short stacking energy: -243.496
Base-Backbone interact. energy: -1.666
local terms energy: -251.249967
where:
bonds (distance) C4'-P energy: -44.133
bonds (distance) P-C4' energy: -51.846
flat angles C4'-P-C4' energy: -59.202
flat angles P-C4'-P energy: -31.511
tors. eta vs tors. theta energy: -64.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -809.471801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.471801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.471801 (E_RNA)
where:
Base-Base interactions energy: -554.917
where: short stacking energy: -243.955
Base-Backbone interact. energy: -1.610
local terms energy: -252.944596
where:
bonds (distance) C4'-P energy: -56.204
bonds (distance) P-C4' energy: -44.243
flat angles C4'-P-C4' energy: -52.111
flat angles P-C4'-P energy: -38.260
tors. eta vs tors. theta energy: -62.127
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: 6, replica: 1
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -777.496168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.496168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.496168 (E_RNA)
where:
Base-Base interactions energy: -542.629
where: short stacking energy: -233.572
Base-Backbone interact. energy: -0.522
local terms energy: -234.344755
where:
bonds (distance) C4'-P energy: -41.051
bonds (distance) P-C4' energy: -43.219
flat angles C4'-P-C4' energy: -50.925
flat angles P-C4'-P energy: -34.640
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: 7, replica: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -712.720911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.720911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.720911 (E_RNA)
where:
Base-Base interactions energy: -510.370
where: short stacking energy: -215.630
Base-Backbone interact. energy: -0.903
local terms energy: -201.447012
where:
bonds (distance) C4'-P energy: -42.668
bonds (distance) P-C4' energy: -45.128
flat angles C4'-P-C4' energy: -48.808
flat angles P-C4'-P energy: -19.914
tors. eta vs tors. theta energy: -44.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -700.595546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.595546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.595546 (E_RNA)
where:
Base-Base interactions energy: -475.622
where: short stacking energy: -198.111
Base-Backbone interact. energy: 1.189
local terms energy: -226.162516
where:
bonds (distance) C4'-P energy: -47.369
bonds (distance) P-C4' energy: -40.633
flat angles C4'-P-C4' energy: -50.829
flat angles P-C4'-P energy: -31.881
tors. eta vs tors. theta energy: -55.451
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: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -475.537448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.537448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.537448 (E_RNA)
where:
Base-Base interactions energy: -306.819
where: short stacking energy: -136.420
Base-Backbone interact. energy: -0.813
local terms energy: -167.905205
where:
bonds (distance) C4'-P energy: -43.761
bonds (distance) P-C4' energy: -47.320
flat angles C4'-P-C4' energy: -34.511
flat angles P-C4'-P energy: -26.018
tors. eta vs tors. theta energy: -16.295
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: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -455.236468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.236468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.236468 (E_RNA)
where:
Base-Base interactions energy: -282.426
where: short stacking energy: -113.466
Base-Backbone interact. energy: -0.897
local terms energy: -171.913896
where:
bonds (distance) C4'-P energy: -40.069
bonds (distance) P-C4' energy: -41.120
flat angles C4'-P-C4' energy: -42.947
flat angles P-C4'-P energy: -33.291
tors. eta vs tors. theta energy: -14.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -943.550555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.550555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.550555 (E_RNA)
where:
Base-Base interactions energy: -651.563
where: short stacking energy: -276.004
Base-Backbone interact. energy: -0.316
local terms energy: -291.671288
where:
bonds (distance) C4'-P energy: -60.095
bonds (distance) P-C4' energy: -51.095
flat angles C4'-P-C4' energy: -57.491
flat angles P-C4'-P energy: -44.406
tors. eta vs tors. theta energy: -78.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -912.707309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.707309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.707309 (E_RNA)
where:
Base-Base interactions energy: -636.131
where: short stacking energy: -281.154
Base-Backbone interact. energy: -0.587
local terms energy: -275.988996
where:
bonds (distance) C4'-P energy: -53.193
bonds (distance) P-C4' energy: -47.917
flat angles C4'-P-C4' energy: -59.202
flat angles P-C4'-P energy: -37.217
tors. eta vs tors. theta energy: -78.461
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: 67
Temperature: 1.000000
Total energy: -888.656226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.656226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.656226 (E_RNA)
where:
Base-Base interactions energy: -609.357
where: short stacking energy: -281.517
Base-Backbone interact. energy: -0.954
local terms energy: -278.344292
where:
bonds (distance) C4'-P energy: -46.081
bonds (distance) P-C4' energy: -51.274
flat angles C4'-P-C4' energy: -60.834
flat angles P-C4'-P energy: -39.556
tors. eta vs tors. theta energy: -80.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -866.548570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.548570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.548570 (E_RNA)
where:
Base-Base interactions energy: -595.398
where: short stacking energy: -260.127
Base-Backbone interact. energy: -0.950
local terms energy: -270.200588
where:
bonds (distance) C4'-P energy: -48.403
bonds (distance) P-C4' energy: -51.565
flat angles C4'-P-C4' energy: -57.511
flat angles P-C4'-P energy: -40.718
tors. eta vs tors. theta energy: -72.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -797.395242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.395242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.395242 (E_RNA)
where:
Base-Base interactions energy: -549.157
where: short stacking energy: -249.689
Base-Backbone interact. energy: 0.238
local terms energy: -248.476491
where:
bonds (distance) C4'-P energy: -48.394
bonds (distance) P-C4' energy: -44.709
flat angles C4'-P-C4' energy: -51.874
flat angles P-C4'-P energy: -34.875
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: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -801.832110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.832110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.832110 (E_RNA)
where:
Base-Base interactions energy: -542.009
where: short stacking energy: -230.655
Base-Backbone interact. energy: -1.514
local terms energy: -258.308491
where:
bonds (distance) C4'-P energy: -43.606
bonds (distance) P-C4' energy: -50.664
flat angles C4'-P-C4' energy: -57.902
flat angles P-C4'-P energy: -37.534
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: 7, replica: 2
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -712.404999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.404999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.404999 (E_RNA)
where:
Base-Base interactions energy: -500.407
where: short stacking energy: -218.949
Base-Backbone interact. energy: -0.991
local terms energy: -211.007493
where:
bonds (distance) C4'-P energy: -39.107
bonds (distance) P-C4' energy: -46.071
flat angles C4'-P-C4' energy: -40.502
flat angles P-C4'-P energy: -35.456
tors. eta vs tors. theta energy: -49.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -702.763642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.763642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.763642 (E_RNA)
where:
Base-Base interactions energy: -482.009
where: short stacking energy: -200.876
Base-Backbone interact. energy: 2.900
local terms energy: -223.654731
where:
bonds (distance) C4'-P energy: -47.850
bonds (distance) P-C4' energy: -41.220
flat angles C4'-P-C4' energy: -51.629
flat angles P-C4'-P energy: -29.434
tors. eta vs tors. theta energy: -53.522
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: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -487.745636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.745636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.745636 (E_RNA)
where:
Base-Base interactions energy: -308.182
where: short stacking energy: -146.775
Base-Backbone interact. energy: -0.478
local terms energy: -179.085895
where:
bonds (distance) C4'-P energy: -41.361
bonds (distance) P-C4' energy: -40.226
flat angles C4'-P-C4' energy: -42.255
flat angles P-C4'-P energy: -23.501
tors. eta vs tors. theta energy: -31.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -444.733610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.733610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.733610 (E_RNA)
where:
Base-Base interactions energy: -266.759
where: short stacking energy: -131.162
Base-Backbone interact. energy: 0.127
local terms energy: -178.101874
where:
bonds (distance) C4'-P energy: -30.786
bonds (distance) P-C4' energy: -46.892
flat angles C4'-P-C4' energy: -46.145
flat angles P-C4'-P energy: -27.925
tors. eta vs tors. theta energy: -26.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -963.392180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.392180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.392180 (E_RNA)
where:
Base-Base interactions energy: -660.575
where: short stacking energy: -277.921
Base-Backbone interact. energy: -0.021
local terms energy: -302.796700
where:
bonds (distance) C4'-P energy: -60.727
bonds (distance) P-C4' energy: -49.213
flat angles C4'-P-C4' energy: -62.216
flat angles P-C4'-P energy: -50.313
tors. eta vs tors. theta energy: -80.328
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: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -901.875247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.875247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.875247 (E_RNA)
where:
Base-Base interactions energy: -621.381
where: short stacking energy: -258.773
Base-Backbone interact. energy: 0.672
local terms energy: -281.166089
where:
bonds (distance) C4'-P energy: -43.842
bonds (distance) P-C4' energy: -55.723
flat angles C4'-P-C4' energy: -59.988
flat angles P-C4'-P energy: -43.813
tors. eta vs tors. theta energy: -77.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -923.529712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.529712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.529712 (E_RNA)
where:
Base-Base interactions energy: -630.810
where: short stacking energy: -277.805
Base-Backbone interact. energy: -1.289
local terms energy: -291.430697
where:
bonds (distance) C4'-P energy: -49.116
bonds (distance) P-C4' energy: -55.009
flat angles C4'-P-C4' energy: -62.861
flat angles P-C4'-P energy: -43.448
tors. eta vs tors. theta energy: -80.996
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: 4, replica: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -880.289290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.289290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.289290 (E_RNA)
where:
Base-Base interactions energy: -605.297
where: short stacking energy: -267.124
Base-Backbone interact. energy: 1.613
local terms energy: -276.604870
where:
bonds (distance) C4'-P energy: -55.004
bonds (distance) P-C4' energy: -44.085
flat angles C4'-P-C4' energy: -58.746
flat angles P-C4'-P energy: -38.500
tors. eta vs tors. theta energy: -80.270
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: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -830.496495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.496495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.496495 (E_RNA)
where:
Base-Base interactions energy: -571.349
where: short stacking energy: -240.049
Base-Backbone interact. energy: -0.570
local terms energy: -258.577456
where:
bonds (distance) C4'-P energy: -50.045
bonds (distance) P-C4' energy: -56.931
flat angles C4'-P-C4' energy: -55.006
flat angles P-C4'-P energy: -27.828
tors. eta vs tors. theta energy: -68.768
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: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -783.495163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.495163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.495163 (E_RNA)
where:
Base-Base interactions energy: -539.100
where: short stacking energy: -229.083
Base-Backbone interact. energy: -0.017
local terms energy: -244.377839
where:
bonds (distance) C4'-P energy: -43.069
bonds (distance) P-C4' energy: -48.126
flat angles C4'-P-C4' energy: -55.653
flat angles P-C4'-P energy: -35.407
tors. eta vs tors. theta energy: -62.123
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: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -729.166145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.166145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.166145 (E_RNA)
where:
Base-Base interactions energy: -499.835
where: short stacking energy: -196.593
Base-Backbone interact. energy: -0.801
local terms energy: -228.530270
where:
bonds (distance) C4'-P energy: -44.677
bonds (distance) P-C4' energy: -43.912
flat angles C4'-P-C4' energy: -53.977
flat angles P-C4'-P energy: -27.812
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: 8, replica: 2
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -713.909215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.909215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.909215 (E_RNA)
where:
Base-Base interactions energy: -484.060
where: short stacking energy: -197.714
Base-Backbone interact. energy: -0.776
local terms energy: -229.073606
where:
bonds (distance) C4'-P energy: -39.564
bonds (distance) P-C4' energy: -53.509
flat angles C4'-P-C4' energy: -51.244
flat angles P-C4'-P energy: -32.913
tors. eta vs tors. theta energy: -51.844
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: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -491.352633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.352633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.352633 (E_RNA)
where:
Base-Base interactions energy: -310.159
where: short stacking energy: -132.290
Base-Backbone interact. energy: -0.400
local terms energy: -180.793555
where:
bonds (distance) C4'-P energy: -41.141
bonds (distance) P-C4' energy: -43.381
flat angles C4'-P-C4' energy: -40.999
flat angles P-C4'-P energy: -29.824
tors. eta vs tors. theta energy: -25.449
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: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -439.206626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.206626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.206626 (E_RNA)
where:
Base-Base interactions energy: -245.752
where: short stacking energy: -121.169
Base-Backbone interact. energy: -0.317
local terms energy: -193.138283
where:
bonds (distance) C4'-P energy: -45.539
bonds (distance) P-C4' energy: -59.315
flat angles C4'-P-C4' energy: -36.620
flat angles P-C4'-P energy: -26.160
tors. eta vs tors. theta energy: -25.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -966.808475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.808475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.808475 (E_RNA)
where:
Base-Base interactions energy: -668.129
where: short stacking energy: -276.052
Base-Backbone interact. energy: -1.331
local terms energy: -297.348812
where:
bonds (distance) C4'-P energy: -56.506
bonds (distance) P-C4' energy: -59.819
flat angles C4'-P-C4' energy: -62.817
flat angles P-C4'-P energy: -38.778
tors. eta vs tors. theta energy: -79.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -950.703566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.703566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.703566 (E_RNA)
where:
Base-Base interactions energy: -661.204
where: short stacking energy: -289.698
Base-Backbone interact. energy: -2.329
local terms energy: -287.170118
where:
bonds (distance) C4'-P energy: -51.964
bonds (distance) P-C4' energy: -50.060
flat angles C4'-P-C4' energy: -54.951
flat angles P-C4'-P energy: -41.479
tors. eta vs tors. theta energy: -88.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -905.678819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.678819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.678819 (E_RNA)
where:
Base-Base interactions energy: -626.327
where: short stacking energy: -272.702
Base-Backbone interact. energy: 2.064
local terms energy: -281.416076
where:
bonds (distance) C4'-P energy: -58.329
bonds (distance) P-C4' energy: -51.274
flat angles C4'-P-C4' energy: -54.042
flat angles P-C4'-P energy: -36.913
tors. eta vs tors. theta energy: -80.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -861.699894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.699894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.699894 (E_RNA)
where:
Base-Base interactions energy: -597.422
where: short stacking energy: -245.931
Base-Backbone interact. energy: -1.516
local terms energy: -262.761242
where:
bonds (distance) C4'-P energy: -48.621
bonds (distance) P-C4' energy: -49.292
flat angles C4'-P-C4' energy: -50.764
flat angles P-C4'-P energy: -46.614
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: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -840.720411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.720411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.720411 (E_RNA)
where:
Base-Base interactions energy: -562.180
where: short stacking energy: -249.858
Base-Backbone interact. energy: -0.427
local terms energy: -278.113779
where:
bonds (distance) C4'-P energy: -51.155
bonds (distance) P-C4' energy: -53.709
flat angles C4'-P-C4' energy: -60.468
flat angles P-C4'-P energy: -42.545
tors. eta vs tors. theta energy: -70.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -774.874878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.874878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.874878 (E_RNA)
where:
Base-Base interactions energy: -535.337
where: short stacking energy: -227.390
Base-Backbone interact. energy: -1.186
local terms energy: -238.351058
where:
bonds (distance) C4'-P energy: -51.408
bonds (distance) P-C4' energy: -50.213
flat angles C4'-P-C4' energy: -45.835
flat angles P-C4'-P energy: -26.359
tors. eta vs tors. theta energy: -64.536
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: 6
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -709.272248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.272248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.272248 (E_RNA)
where:
Base-Base interactions energy: -487.785
where: short stacking energy: -198.718
Base-Backbone interact. energy: -1.254
local terms energy: -220.233368
where:
bonds (distance) C4'-P energy: -40.933
bonds (distance) P-C4' energy: -34.644
flat angles C4'-P-C4' energy: -57.241
flat angles P-C4'-P energy: -32.520
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: 8, replica: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -711.817041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.817041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.817041 (E_RNA)
where:
Base-Base interactions energy: -506.190
where: short stacking energy: -196.041
Base-Backbone interact. energy: -0.951
local terms energy: -204.675660
where:
bonds (distance) C4'-P energy: -40.068
bonds (distance) P-C4' energy: -49.478
flat angles C4'-P-C4' energy: -44.323
flat angles P-C4'-P energy: -29.009
tors. eta vs tors. theta energy: -41.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -541.943033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.943033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.943033 (E_RNA)
where:
Base-Base interactions energy: -341.746
where: short stacking energy: -152.440
Base-Backbone interact. energy: -2.437
local terms energy: -197.760127
where:
bonds (distance) C4'-P energy: -40.950
bonds (distance) P-C4' energy: -55.517
flat angles C4'-P-C4' energy: -38.888
flat angles P-C4'-P energy: -23.165
tors. eta vs tors. theta energy: -39.239
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: 69
Temperature: 1.350000
Total energy: -418.638560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.638560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.638560 (E_RNA)
where:
Base-Base interactions energy: -251.118
where: short stacking energy: -117.593
Base-Backbone interact. energy: -1.929
local terms energy: -165.591305
where:
bonds (distance) C4'-P energy: -45.154
bonds (distance) P-C4' energy: -46.712
flat angles C4'-P-C4' energy: -41.641
flat angles P-C4'-P energy: -19.197
tors. eta vs tors. theta energy: -12.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -970.232795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.232795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.232795 (E_RNA)
where:
Base-Base interactions energy: -678.864
where: short stacking energy: -289.864
Base-Backbone interact. energy: -2.777
local terms energy: -288.592019
where:
bonds (distance) C4'-P energy: -50.087
bonds (distance) P-C4' energy: -55.519
flat angles C4'-P-C4' energy: -64.355
flat angles P-C4'-P energy: -32.517
tors. eta vs tors. theta energy: -86.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -951.595981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.595981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.595981 (E_RNA)
where:
Base-Base interactions energy: -656.405
where: short stacking energy: -278.296
Base-Backbone interact. energy: -3.221
local terms energy: -291.969345
where:
bonds (distance) C4'-P energy: -49.554
bonds (distance) P-C4' energy: -53.185
flat angles C4'-P-C4' energy: -61.538
flat angles P-C4'-P energy: -43.819
tors. eta vs tors. theta energy: -83.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -920.009553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.009553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.009553 (E_RNA)
where:
Base-Base interactions energy: -639.897
where: short stacking energy: -268.509
Base-Backbone interact. energy: -1.137
local terms energy: -278.975531
where:
bonds (distance) C4'-P energy: -52.933
bonds (distance) P-C4' energy: -50.093
flat angles C4'-P-C4' energy: -54.998
flat angles P-C4'-P energy: -37.949
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: 4, replica: 7
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -848.028296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.028296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.028296 (E_RNA)
where:
Base-Base interactions energy: -596.602
where: short stacking energy: -243.405
Base-Backbone interact. energy: 0.989
local terms energy: -252.415145
where:
bonds (distance) C4'-P energy: -55.650
bonds (distance) P-C4' energy: -48.353
flat angles C4'-P-C4' energy: -59.173
flat angles P-C4'-P energy: -34.306
tors. eta vs tors. theta energy: -54.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -828.960595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.960595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.960595 (E_RNA)
where:
Base-Base interactions energy: -546.669
where: short stacking energy: -244.478
Base-Backbone interact. energy: -0.276
local terms energy: -282.015666
where:
bonds (distance) C4'-P energy: -58.451
bonds (distance) P-C4' energy: -52.759
flat angles C4'-P-C4' energy: -62.891
flat angles P-C4'-P energy: -36.584
tors. eta vs tors. theta energy: -71.330
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: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -788.505950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.505950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.505950 (E_RNA)
where:
Base-Base interactions energy: -563.163
where: short stacking energy: -248.118
Base-Backbone interact. energy: 0.788
local terms energy: -226.130546
where:
bonds (distance) C4'-P energy: -40.418
bonds (distance) P-C4' energy: -39.801
flat angles C4'-P-C4' energy: -50.736
flat angles P-C4'-P energy: -30.912
tors. eta vs tors. theta energy: -64.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -747.176431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.176431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.176431 (E_RNA)
where:
Base-Base interactions energy: -515.152
where: short stacking energy: -199.204
Base-Backbone interact. energy: -1.459
local terms energy: -230.565335
where:
bonds (distance) C4'-P energy: -54.510
bonds (distance) P-C4' energy: -41.298
flat angles C4'-P-C4' energy: -44.274
flat angles P-C4'-P energy: -35.446
tors. eta vs tors. theta energy: -55.038
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: 8, replica: 6
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -716.446927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.446927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.446927 (E_RNA)
where:
Base-Base interactions energy: -484.823
where: short stacking energy: -208.300
Base-Backbone interact. energy: -0.608
local terms energy: -231.016017
where:
bonds (distance) C4'-P energy: -53.249
bonds (distance) P-C4' energy: -51.416
flat angles C4'-P-C4' energy: -42.202
flat angles P-C4'-P energy: -30.022
tors. eta vs tors. theta energy: -54.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -498.832629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.832629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.832629 (E_RNA)
where:
Base-Base interactions energy: -328.181
where: short stacking energy: -145.362
Base-Backbone interact. energy: -0.959
local terms energy: -169.692067
where:
bonds (distance) C4'-P energy: -40.786
bonds (distance) P-C4' energy: -39.255
flat angles C4'-P-C4' energy: -40.749
flat angles P-C4'-P energy: -26.775
tors. eta vs tors. theta energy: -22.128
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: 70
Temperature: 1.350000
Total energy: -409.463035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.463035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.463035 (E_RNA)
where:
Base-Base interactions energy: -240.460
where: short stacking energy: -118.090
Base-Backbone interact. energy: -0.472
local terms energy: -168.530650
where:
bonds (distance) C4'-P energy: -44.581
bonds (distance) P-C4' energy: -41.688
flat angles C4'-P-C4' energy: -41.921
flat angles P-C4'-P energy: -25.190
tors. eta vs tors. theta energy: -15.150
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: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -944.221436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.221436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.221436 (E_RNA)
where:
Base-Base interactions energy: -648.684
where: short stacking energy: -282.040
Base-Backbone interact. energy: -1.453
local terms energy: -294.084765
where:
bonds (distance) C4'-P energy: -55.864
bonds (distance) P-C4' energy: -55.897
flat angles C4'-P-C4' energy: -57.518
flat angles P-C4'-P energy: -40.899
tors. eta vs tors. theta energy: -83.906
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: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -968.489154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.489154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.489154 (E_RNA)
where:
Base-Base interactions energy: -677.420
where: short stacking energy: -282.895
Base-Backbone interact. energy: 0.032
local terms energy: -291.101407
where:
bonds (distance) C4'-P energy: -54.707
bonds (distance) P-C4' energy: -55.820
flat angles C4'-P-C4' energy: -56.192
flat angles P-C4'-P energy: -42.380
tors. eta vs tors. theta energy: -82.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -898.429942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.429942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.429942 (E_RNA)
where:
Base-Base interactions energy: -635.841
where: short stacking energy: -273.305
Base-Backbone interact. energy: -0.200
local terms energy: -262.388934
where:
bonds (distance) C4'-P energy: -44.727
bonds (distance) P-C4' energy: -46.927
flat angles C4'-P-C4' energy: -57.492
flat angles P-C4'-P energy: -35.978
tors. eta vs tors. theta energy: -77.265
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: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -830.149784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.149784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.149784 (E_RNA)
where:
Base-Base interactions energy: -567.982
where: short stacking energy: -246.326
Base-Backbone interact. energy: -0.882
local terms energy: -261.286337
where:
bonds (distance) C4'-P energy: -37.226
bonds (distance) P-C4' energy: -49.464
flat angles C4'-P-C4' energy: -58.531
flat angles P-C4'-P energy: -39.387
tors. eta vs tors. theta energy: -76.678
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: 7
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -842.061236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.061236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.061236 (E_RNA)
where:
Base-Base interactions energy: -596.266
where: short stacking energy: -247.002
Base-Backbone interact. energy: 0.498
local terms energy: -246.294065
where:
bonds (distance) C4'-P energy: -45.896
bonds (distance) P-C4' energy: -46.879
flat angles C4'-P-C4' energy: -53.605
flat angles P-C4'-P energy: -37.120
tors. eta vs tors. theta energy: -62.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -760.199070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.199070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.199070 (E_RNA)
where:
Base-Base interactions energy: -535.448
where: short stacking energy: -226.761
Base-Backbone interact. energy: 2.789
local terms energy: -227.540460
where:
bonds (distance) C4'-P energy: -37.756
bonds (distance) P-C4' energy: -48.524
flat angles C4'-P-C4' energy: -55.726
flat angles P-C4'-P energy: -33.042
tors. eta vs tors. theta energy: -52.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -730.134715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.134715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.134715 (E_RNA)
where:
Base-Base interactions energy: -507.945
where: short stacking energy: -210.226
Base-Backbone interact. energy: 0.146
local terms energy: -222.335825
where:
bonds (distance) C4'-P energy: -35.200
bonds (distance) P-C4' energy: -46.332
flat angles C4'-P-C4' energy: -50.776
flat angles P-C4'-P energy: -33.228
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: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -702.228498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.228498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.228498 (E_RNA)
where:
Base-Base interactions energy: -463.840
where: short stacking energy: -205.607
Base-Backbone interact. energy: 2.020
local terms energy: -240.408892
where:
bonds (distance) C4'-P energy: -48.866
bonds (distance) P-C4' energy: -46.377
flat angles C4'-P-C4' energy: -44.932
flat angles P-C4'-P energy: -43.130
tors. eta vs tors. theta energy: -57.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -490.455081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.455081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.455081 (E_RNA)
where:
Base-Base interactions energy: -301.638
where: short stacking energy: -153.792
Base-Backbone interact. energy: 2.938
local terms energy: -191.755053
where:
bonds (distance) C4'-P energy: -47.461
bonds (distance) P-C4' energy: -40.896
flat angles C4'-P-C4' energy: -45.902
flat angles P-C4'-P energy: -30.814
tors. eta vs tors. theta energy: -26.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -405.001016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.001016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.001016 (E_RNA)
where:
Base-Base interactions energy: -251.533
where: short stacking energy: -124.976
Base-Backbone interact. energy: -0.250
local terms energy: -153.218139
where:
bonds (distance) C4'-P energy: -34.769
bonds (distance) P-C4' energy: -36.336
flat angles C4'-P-C4' energy: -43.641
flat angles P-C4'-P energy: -19.622
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -973.227929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.227929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.227929 (E_RNA)
where:
Base-Base interactions energy: -692.037
where: short stacking energy: -288.441
Base-Backbone interact. energy: 1.257
local terms energy: -282.448422
where:
bonds (distance) C4'-P energy: -54.308
bonds (distance) P-C4' energy: -53.327
flat angles C4'-P-C4' energy: -53.090
flat angles P-C4'-P energy: -39.648
tors. eta vs tors. theta energy: -82.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -928.842755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.842755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.842755 (E_RNA)
where:
Base-Base interactions energy: -638.341
where: short stacking energy: -271.448
Base-Backbone interact. energy: -0.612
local terms energy: -289.890395
where:
bonds (distance) C4'-P energy: -54.368
bonds (distance) P-C4' energy: -58.859
flat angles C4'-P-C4' energy: -54.822
flat angles P-C4'-P energy: -42.159
tors. eta vs tors. theta energy: -79.684
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: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -903.285293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.285293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.285293 (E_RNA)
where:
Base-Base interactions energy: -632.747
where: short stacking energy: -262.319
Base-Backbone interact. energy: -0.715
local terms energy: -269.823367
where:
bonds (distance) C4'-P energy: -43.789
bonds (distance) P-C4' energy: -60.446
flat angles C4'-P-C4' energy: -52.586
flat angles P-C4'-P energy: -41.092
tors. eta vs tors. theta energy: -71.910
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: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -855.982518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.982518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.982518 (E_RNA)
where:
Base-Base interactions energy: -589.362
where: short stacking energy: -279.914
Base-Backbone interact. energy: 0.073
local terms energy: -266.693268
where:
bonds (distance) C4'-P energy: -47.132
bonds (distance) P-C4' energy: -48.248
flat angles C4'-P-C4' energy: -50.391
flat angles P-C4'-P energy: -39.352
tors. eta vs tors. theta energy: -81.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -818.216891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.216891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.216891 (E_RNA)
where:
Base-Base interactions energy: -565.893
where: short stacking energy: -229.858
Base-Backbone interact. energy: 0.265
local terms energy: -252.589246
where:
bonds (distance) C4'-P energy: -41.637
bonds (distance) P-C4' energy: -50.323
flat angles C4'-P-C4' energy: -58.716
flat angles P-C4'-P energy: -38.336
tors. eta vs tors. theta energy: -63.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -771.852298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.852298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.852298 (E_RNA)
where:
Base-Base interactions energy: -534.154
where: short stacking energy: -228.433
Base-Backbone interact. energy: -0.737
local terms energy: -236.961284
where:
bonds (distance) C4'-P energy: -37.927
bonds (distance) P-C4' energy: -60.104
flat angles C4'-P-C4' energy: -51.449
flat angles P-C4'-P energy: -30.738
tors. eta vs tors. theta energy: -56.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -722.115396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.115396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.115396 (E_RNA)
where:
Base-Base interactions energy: -487.337
where: short stacking energy: -190.206
Base-Backbone interact. energy: -0.452
local terms energy: -234.326934
where:
bonds (distance) C4'-P energy: -44.911
bonds (distance) P-C4' energy: -47.451
flat angles C4'-P-C4' energy: -51.741
flat angles P-C4'-P energy: -32.163
tors. eta vs tors. theta energy: -58.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -742.457245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.457245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.457245 (E_RNA)
where:
Base-Base interactions energy: -511.317
where: short stacking energy: -218.045
Base-Backbone interact. energy: -0.735
local terms energy: -230.404605
where:
bonds (distance) C4'-P energy: -41.136
bonds (distance) P-C4' energy: -43.410
flat angles C4'-P-C4' energy: -54.909
flat angles P-C4'-P energy: -32.471
tors. eta vs tors. theta energy: -58.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -518.812602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.812602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.812602 (E_RNA)
where:
Base-Base interactions energy: -327.855
where: short stacking energy: -162.746
Base-Backbone interact. energy: -0.430
local terms energy: -190.528137
where:
bonds (distance) C4'-P energy: -43.961
bonds (distance) P-C4' energy: -42.412
flat angles C4'-P-C4' energy: -27.914
flat angles P-C4'-P energy: -35.230
tors. eta vs tors. theta energy: -41.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -399.729137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.729137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.729137 (E_RNA)
where:
Base-Base interactions energy: -231.697
where: short stacking energy: -106.463
Base-Backbone interact. energy: -1.130
local terms energy: -166.902856
where:
bonds (distance) C4'-P energy: -39.345
bonds (distance) P-C4' energy: -45.637
flat angles C4'-P-C4' energy: -40.788
flat angles P-C4'-P energy: -30.887
tors. eta vs tors. theta energy: -10.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -962.052538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.052538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.052538 (E_RNA)
where:
Base-Base interactions energy: -666.940
where: short stacking energy: -292.085
Base-Backbone interact. energy: -0.922
local terms energy: -294.190521
where:
bonds (distance) C4'-P energy: -50.807
bonds (distance) P-C4' energy: -53.438
flat angles C4'-P-C4' energy: -61.466
flat angles P-C4'-P energy: -48.891
tors. eta vs tors. theta energy: -79.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -931.214773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.214773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.214773 (E_RNA)
where:
Base-Base interactions energy: -636.583
where: short stacking energy: -275.453
Base-Backbone interact. energy: 0.747
local terms energy: -295.378586
where:
bonds (distance) C4'-P energy: -56.558
bonds (distance) P-C4' energy: -58.163
flat angles C4'-P-C4' energy: -58.285
flat angles P-C4'-P energy: -39.992
tors. eta vs tors. theta energy: -82.380
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: 3, replica: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -917.803123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.803123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.803123 (E_RNA)
where:
Base-Base interactions energy: -635.289
where: short stacking energy: -273.097
Base-Backbone interact. energy: -1.365
local terms energy: -281.149557
where:
bonds (distance) C4'-P energy: -45.659
bonds (distance) P-C4' energy: -53.366
flat angles C4'-P-C4' energy: -59.968
flat angles P-C4'-P energy: -41.611
tors. eta vs tors. theta energy: -80.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -862.931795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.931795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.931795 (E_RNA)
where:
Base-Base interactions energy: -589.019
where: short stacking energy: -243.301
Base-Backbone interact. energy: -2.828
local terms energy: -271.085548
where:
bonds (distance) C4'-P energy: -51.485
bonds (distance) P-C4' energy: -49.666
flat angles C4'-P-C4' energy: -64.079
flat angles P-C4'-P energy: -28.640
tors. eta vs tors. theta energy: -77.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -842.802411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.802411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.802411 (E_RNA)
where:
Base-Base interactions energy: -572.762
where: short stacking energy: -253.514
Base-Backbone interact. energy: -0.420
local terms energy: -269.620638
where:
bonds (distance) C4'-P energy: -53.346
bonds (distance) P-C4' energy: -45.149
flat angles C4'-P-C4' energy: -55.870
flat angles P-C4'-P energy: -38.130
tors. eta vs tors. theta energy: -77.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -769.880096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.880096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.880096 (E_RNA)
where:
Base-Base interactions energy: -537.201
where: short stacking energy: -239.842
Base-Backbone interact. energy: -1.020
local terms energy: -231.659530
where:
bonds (distance) C4'-P energy: -44.347
bonds (distance) P-C4' energy: -42.007
flat angles C4'-P-C4' energy: -52.828
flat angles P-C4'-P energy: -30.276
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: 7, replica: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -746.613966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.613966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.613966 (E_RNA)
where:
Base-Base interactions energy: -507.969
where: short stacking energy: -208.570
Base-Backbone interact. energy: -0.651
local terms energy: -237.993960
where:
bonds (distance) C4'-P energy: -39.786
bonds (distance) P-C4' energy: -51.371
flat angles C4'-P-C4' energy: -49.273
flat angles P-C4'-P energy: -37.032
tors. eta vs tors. theta energy: -60.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -729.671090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.671090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.671090 (E_RNA)
where:
Base-Base interactions energy: -501.400
where: short stacking energy: -216.246
Base-Backbone interact. energy: -0.313
local terms energy: -227.957488
where:
bonds (distance) C4'-P energy: -44.691
bonds (distance) P-C4' energy: -43.004
flat angles C4'-P-C4' energy: -50.414
flat angles P-C4'-P energy: -33.752
tors. eta vs tors. theta energy: -56.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -536.769963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.769963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.769963 (E_RNA)
where:
Base-Base interactions energy: -338.810
where: short stacking energy: -161.281
Base-Backbone interact. energy: -2.008
local terms energy: -195.952870
where:
bonds (distance) C4'-P energy: -45.275
bonds (distance) P-C4' energy: -44.114
flat angles C4'-P-C4' energy: -45.944
flat angles P-C4'-P energy: -24.108
tors. eta vs tors. theta energy: -36.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -404.163510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.163510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.163510 (E_RNA)
where:
Base-Base interactions energy: -244.378
where: short stacking energy: -109.010
Base-Backbone interact. energy: 1.313
local terms energy: -161.098108
where:
bonds (distance) C4'-P energy: -40.971
bonds (distance) P-C4' energy: -36.769
flat angles C4'-P-C4' energy: -37.706
flat angles P-C4'-P energy: -34.251
tors. eta vs tors. theta energy: -11.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -957.626322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.626322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.626322 (E_RNA)
where:
Base-Base interactions energy: -660.327
where: short stacking energy: -284.908
Base-Backbone interact. energy: -1.391
local terms energy: -295.908908
where:
bonds (distance) C4'-P energy: -60.036
bonds (distance) P-C4' energy: -55.258
flat angles C4'-P-C4' energy: -53.107
flat angles P-C4'-P energy: -46.516
tors. eta vs tors. theta energy: -80.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -943.041158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.041158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.041158 (E_RNA)
where:
Base-Base interactions energy: -666.925
where: short stacking energy: -287.069
Base-Backbone interact. energy: -1.221
local terms energy: -274.895460
where:
bonds (distance) C4'-P energy: -51.294
bonds (distance) P-C4' energy: -52.450
flat angles C4'-P-C4' energy: -54.533
flat angles P-C4'-P energy: -40.936
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: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -938.680287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.680287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.680287 (E_RNA)
where:
Base-Base interactions energy: -642.985
where: short stacking energy: -276.799
Base-Backbone interact. energy: -0.843
local terms energy: -294.852488
where:
bonds (distance) C4'-P energy: -54.313
bonds (distance) P-C4' energy: -55.850
flat angles C4'-P-C4' energy: -60.164
flat angles P-C4'-P energy: -40.520
tors. eta vs tors. theta energy: -84.006
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: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -840.889884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.889884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.889884 (E_RNA)
where:
Base-Base interactions energy: -590.213
where: short stacking energy: -244.740
Base-Backbone interact. energy: 0.954
local terms energy: -251.631001
where:
bonds (distance) C4'-P energy: -40.532
bonds (distance) P-C4' energy: -59.451
flat angles C4'-P-C4' energy: -54.663
flat angles P-C4'-P energy: -36.869
tors. eta vs tors. theta energy: -60.116
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: 74
Temperature: 1.100000
Total energy: -790.163669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.163669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.163669 (E_RNA)
where:
Base-Base interactions energy: -544.956
where: short stacking energy: -215.319
Base-Backbone interact. energy: -1.966
local terms energy: -243.241575
where:
bonds (distance) C4'-P energy: -43.265
bonds (distance) P-C4' energy: -47.240
flat angles C4'-P-C4' energy: -57.193
flat angles P-C4'-P energy: -38.550
tors. eta vs tors. theta energy: -56.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -805.674460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.674460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.674460 (E_RNA)
where:
Base-Base interactions energy: -563.793
where: short stacking energy: -249.998
Base-Backbone interact. energy: -0.971
local terms energy: -240.910083
where:
bonds (distance) C4'-P energy: -39.050
bonds (distance) P-C4' energy: -47.100
flat angles C4'-P-C4' energy: -53.111
flat angles P-C4'-P energy: -36.900
tors. eta vs tors. theta energy: -64.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -777.682883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.682883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.682883 (E_RNA)
where:
Base-Base interactions energy: -535.604
where: short stacking energy: -234.773
Base-Backbone interact. energy: -0.319
local terms energy: -241.759712
where:
bonds (distance) C4'-P energy: -45.646
bonds (distance) P-C4' energy: -44.696
flat angles C4'-P-C4' energy: -49.113
flat angles P-C4'-P energy: -31.230
tors. eta vs tors. theta energy: -71.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -729.345220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.345220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.345220 (E_RNA)
where:
Base-Base interactions energy: -506.799
where: short stacking energy: -200.072
Base-Backbone interact. energy: 0.231
local terms energy: -222.777432
where:
bonds (distance) C4'-P energy: -42.589
bonds (distance) P-C4' energy: -45.243
flat angles C4'-P-C4' energy: -48.538
flat angles P-C4'-P energy: -32.214
tors. eta vs tors. theta energy: -54.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -515.214855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.214855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.214855 (E_RNA)
where:
Base-Base interactions energy: -325.458
where: short stacking energy: -150.812
Base-Backbone interact. energy: -0.678
local terms energy: -189.078287
where:
bonds (distance) C4'-P energy: -37.800
bonds (distance) P-C4' energy: -44.401
flat angles C4'-P-C4' energy: -42.524
flat angles P-C4'-P energy: -29.393
tors. eta vs tors. theta energy: -34.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -397.240999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.240999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.240999 (E_RNA)
where:
Base-Base interactions energy: -230.100
where: short stacking energy: -97.894
Base-Backbone interact. energy: -1.853
local terms energy: -165.287931
where:
bonds (distance) C4'-P energy: -40.836
bonds (distance) P-C4' energy: -49.004
flat angles C4'-P-C4' energy: -45.864
flat angles P-C4'-P energy: -28.640
tors. eta vs tors. theta energy: -0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -955.100274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.100274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.100274 (E_RNA)
where:
Base-Base interactions energy: -654.340
where: short stacking energy: -283.989
Base-Backbone interact. energy: -0.618
local terms energy: -300.141514
where:
bonds (distance) C4'-P energy: -53.282
bonds (distance) P-C4' energy: -58.258
flat angles C4'-P-C4' energy: -61.406
flat angles P-C4'-P energy: -45.453
tors. eta vs tors. theta energy: -81.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -928.342594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.342594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.342594 (E_RNA)
where:
Base-Base interactions energy: -667.361
where: short stacking energy: -280.142
Base-Backbone interact. energy: -0.380
local terms energy: -260.600962
where:
bonds (distance) C4'-P energy: -48.347
bonds (distance) P-C4' energy: -48.709
flat angles C4'-P-C4' energy: -58.009
flat angles P-C4'-P energy: -35.330
tors. eta vs tors. theta energy: -70.206
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: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -923.765457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.765457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.765457 (E_RNA)
where:
Base-Base interactions energy: -642.863
where: short stacking energy: -277.524
Base-Backbone interact. energy: -0.179
local terms energy: -280.723653
where:
bonds (distance) C4'-P energy: -58.198
bonds (distance) P-C4' energy: -53.910
flat angles C4'-P-C4' energy: -56.422
flat angles P-C4'-P energy: -34.961
tors. eta vs tors. theta energy: -77.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -846.751572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.751572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.751572 (E_RNA)
where:
Base-Base interactions energy: -587.899
where: short stacking energy: -247.587
Base-Backbone interact. energy: -1.062
local terms energy: -257.789757
where:
bonds (distance) C4'-P energy: -34.596
bonds (distance) P-C4' energy: -51.216
flat angles C4'-P-C4' energy: -57.947
flat angles P-C4'-P energy: -45.962
tors. eta vs tors. theta energy: -68.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -801.675374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.675374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.675374 (E_RNA)
where:
Base-Base interactions energy: -544.466
where: short stacking energy: -245.045
Base-Backbone interact. energy: -2.110
local terms energy: -255.100134
where:
bonds (distance) C4'-P energy: -47.451
bonds (distance) P-C4' energy: -49.233
flat angles C4'-P-C4' energy: -55.562
flat angles P-C4'-P energy: -35.312
tors. eta vs tors. theta energy: -67.542
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: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -818.228831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.228831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.228831 (E_RNA)
where:
Base-Base interactions energy: -553.661
where: short stacking energy: -252.237
Base-Backbone interact. energy: -1.352
local terms energy: -263.215681
where:
bonds (distance) C4'-P energy: -45.708
bonds (distance) P-C4' energy: -47.256
flat angles C4'-P-C4' energy: -54.995
flat angles P-C4'-P energy: -36.060
tors. eta vs tors. theta energy: -79.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -751.967593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.967593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.967593 (E_RNA)
where:
Base-Base interactions energy: -518.656
where: short stacking energy: -211.325
Base-Backbone interact. energy: -1.188
local terms energy: -232.123609
where:
bonds (distance) C4'-P energy: -42.963
bonds (distance) P-C4' energy: -40.263
flat angles C4'-P-C4' energy: -54.603
flat angles P-C4'-P energy: -34.322
tors. eta vs tors. theta energy: -59.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -714.746412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.746412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.746412 (E_RNA)
where:
Base-Base interactions energy: -495.937
where: short stacking energy: -198.166
Base-Backbone interact. energy: 0.478
local terms energy: -219.287249
where:
bonds (distance) C4'-P energy: -49.485
bonds (distance) P-C4' energy: -44.420
flat angles C4'-P-C4' energy: -49.110
flat angles P-C4'-P energy: -28.923
tors. eta vs tors. theta energy: -47.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -556.301690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.301690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.301690 (E_RNA)
where:
Base-Base interactions energy: -364.215
where: short stacking energy: -174.081
Base-Backbone interact. energy: -0.453
local terms energy: -191.634334
where:
bonds (distance) C4'-P energy: -38.572
bonds (distance) P-C4' energy: -35.783
flat angles C4'-P-C4' energy: -48.746
flat angles P-C4'-P energy: -25.907
tors. eta vs tors. theta energy: -42.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -404.288004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.288004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.288004 (E_RNA)
where:
Base-Base interactions energy: -241.448
where: short stacking energy: -105.332
Base-Backbone interact. energy: -0.857
local terms energy: -161.982951
where:
bonds (distance) C4'-P energy: -45.798
bonds (distance) P-C4' energy: -42.923
flat angles C4'-P-C4' energy: -40.800
flat angles P-C4'-P energy: -21.799
tors. eta vs tors. theta energy: -10.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -955.415695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.415695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.415695 (E_RNA)
where:
Base-Base interactions energy: -656.824
where: short stacking energy: -278.913
Base-Backbone interact. energy: -0.873
local terms energy: -297.718685
where:
bonds (distance) C4'-P energy: -56.057
bonds (distance) P-C4' energy: -53.822
flat angles C4'-P-C4' energy: -61.448
flat angles P-C4'-P energy: -45.024
tors. eta vs tors. theta energy: -81.369
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: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -926.475340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.475340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.475340 (E_RNA)
where:
Base-Base interactions energy: -650.300
where: short stacking energy: -283.100
Base-Backbone interact. energy: -0.957
local terms energy: -275.217774
where:
bonds (distance) C4'-P energy: -52.874
bonds (distance) P-C4' energy: -39.408
flat angles C4'-P-C4' energy: -57.659
flat angles P-C4'-P energy: -43.401
tors. eta vs tors. theta energy: -81.875
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: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -906.181530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.181530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.181530 (E_RNA)
where:
Base-Base interactions energy: -645.421
where: short stacking energy: -269.638
Base-Backbone interact. energy: -0.972
local terms energy: -259.788630
where:
bonds (distance) C4'-P energy: -48.238
bonds (distance) P-C4' energy: -48.798
flat angles C4'-P-C4' energy: -53.226
flat angles P-C4'-P energy: -32.250
tors. eta vs tors. theta energy: -77.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -844.700732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.700732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.700732 (E_RNA)
where:
Base-Base interactions energy: -593.387
where: short stacking energy: -248.140
Base-Backbone interact. energy: 0.364
local terms energy: -251.678132
where:
bonds (distance) C4'-P energy: -39.501
bonds (distance) P-C4' energy: -54.821
flat angles C4'-P-C4' energy: -55.586
flat angles P-C4'-P energy: -36.099
tors. eta vs tors. theta energy: -65.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -838.618404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.618404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.618404 (E_RNA)
where:
Base-Base interactions energy: -582.174
where: short stacking energy: -267.895
Base-Backbone interact. energy: 0.856
local terms energy: -257.300264
where:
bonds (distance) C4'-P energy: -44.946
bonds (distance) P-C4' energy: -42.523
flat angles C4'-P-C4' energy: -56.775
flat angles P-C4'-P energy: -37.646
tors. eta vs tors. theta energy: -75.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -787.841710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.841710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.841710 (E_RNA)
where:
Base-Base interactions energy: -545.994
where: short stacking energy: -226.411
Base-Backbone interact. energy: 0.805
local terms energy: -242.652577
where:
bonds (distance) C4'-P energy: -45.659
bonds (distance) P-C4' energy: -48.046
flat angles C4'-P-C4' energy: -50.889
flat angles P-C4'-P energy: -36.340
tors. eta vs tors. theta energy: -61.719
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: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -711.799701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.799701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.799701 (E_RNA)
where:
Base-Base interactions energy: -485.668
where: short stacking energy: -203.813
Base-Backbone interact. energy: 0.095
local terms energy: -226.227312
where:
bonds (distance) C4'-P energy: -43.194
bonds (distance) P-C4' energy: -44.748
flat angles C4'-P-C4' energy: -51.430
flat angles P-C4'-P energy: -32.793
tors. eta vs tors. theta energy: -54.063
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: 2
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -735.182088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.182088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.182088 (E_RNA)
where:
Base-Base interactions energy: -504.135
where: short stacking energy: -221.418
Base-Backbone interact. energy: 0.442
local terms energy: -231.489438
where:
bonds (distance) C4'-P energy: -41.401
bonds (distance) P-C4' energy: -50.460
flat angles C4'-P-C4' energy: -47.709
flat angles P-C4'-P energy: -26.954
tors. eta vs tors. theta energy: -64.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -512.066951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.066951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.066951 (E_RNA)
where:
Base-Base interactions energy: -327.310
where: short stacking energy: -157.906
Base-Backbone interact. energy: -1.297
local terms energy: -183.460183
where:
bonds (distance) C4'-P energy: -47.423
bonds (distance) P-C4' energy: -43.647
flat angles C4'-P-C4' energy: -38.708
flat angles P-C4'-P energy: -19.159
tors. eta vs tors. theta energy: -34.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -401.734413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.734413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.734413 (E_RNA)
where:
Base-Base interactions energy: -245.858
where: short stacking energy: -115.542
Base-Backbone interact. energy: -1.120
local terms energy: -154.756687
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -43.854
flat angles C4'-P-C4' energy: -35.171
flat angles P-C4'-P energy: -33.512
tors. eta vs tors. theta energy: -13.796
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: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -947.040936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.040936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.040936 (E_RNA)
where:
Base-Base interactions energy: -657.675
where: short stacking energy: -272.838
Base-Backbone interact. energy: -0.927
local terms energy: -288.439126
where:
bonds (distance) C4'-P energy: -50.036
bonds (distance) P-C4' energy: -51.615
flat angles C4'-P-C4' energy: -57.768
flat angles P-C4'-P energy: -46.462
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: 2, replica: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -917.378390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.378390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.378390 (E_RNA)
where:
Base-Base interactions energy: -636.066
where: short stacking energy: -261.630
Base-Backbone interact. energy: -1.099
local terms energy: -280.212645
where:
bonds (distance) C4'-P energy: -46.871
bonds (distance) P-C4' energy: -53.572
flat angles C4'-P-C4' energy: -60.245
flat angles P-C4'-P energy: -38.234
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: 9
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -901.812866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.812866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.812866 (E_RNA)
where:
Base-Base interactions energy: -641.930
where: short stacking energy: -274.046
Base-Backbone interact. energy: -0.676
local terms energy: -259.206240
where:
bonds (distance) C4'-P energy: -47.514
bonds (distance) P-C4' energy: -54.100
flat angles C4'-P-C4' energy: -44.996
flat angles P-C4'-P energy: -40.712
tors. eta vs tors. theta energy: -71.885
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: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -849.695772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.695772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.695772 (E_RNA)
where:
Base-Base interactions energy: -602.932
where: short stacking energy: -240.224
Base-Backbone interact. energy: 0.802
local terms energy: -247.566104
where:
bonds (distance) C4'-P energy: -57.211
bonds (distance) P-C4' energy: -44.956
flat angles C4'-P-C4' energy: -51.903
flat angles P-C4'-P energy: -26.302
tors. eta vs tors. theta energy: -67.194
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: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -830.171700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.171700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.171700 (E_RNA)
where:
Base-Base interactions energy: -567.917
where: short stacking energy: -246.401
Base-Backbone interact. energy: -0.036
local terms energy: -262.218772
where:
bonds (distance) C4'-P energy: -51.733
bonds (distance) P-C4' energy: -40.673
flat angles C4'-P-C4' energy: -58.072
flat angles P-C4'-P energy: -37.062
tors. eta vs tors. theta energy: -74.679
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: 3
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -794.658650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.658650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.658650 (E_RNA)
where:
Base-Base interactions energy: -550.909
where: short stacking energy: -224.978
Base-Backbone interact. energy: -0.918
local terms energy: -242.831787
where:
bonds (distance) C4'-P energy: -37.105
bonds (distance) P-C4' energy: -56.021
flat angles C4'-P-C4' energy: -45.807
flat angles P-C4'-P energy: -39.759
tors. eta vs tors. theta energy: -64.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -763.667954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.667954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.667954 (E_RNA)
where:
Base-Base interactions energy: -525.639
where: short stacking energy: -219.231
Base-Backbone interact. energy: -0.981
local terms energy: -237.048486
where:
bonds (distance) C4'-P energy: -40.328
bonds (distance) P-C4' energy: -44.327
flat angles C4'-P-C4' energy: -53.926
flat angles P-C4'-P energy: -39.817
tors. eta vs tors. theta energy: -58.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -725.226587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.226587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.226587 (E_RNA)
where:
Base-Base interactions energy: -509.269
where: short stacking energy: -215.480
Base-Backbone interact. energy: -0.743
local terms energy: -215.215095
where:
bonds (distance) C4'-P energy: -48.551
bonds (distance) P-C4' energy: -28.503
flat angles C4'-P-C4' energy: -47.452
flat angles P-C4'-P energy: -30.033
tors. eta vs tors. theta energy: -60.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -525.089401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.089401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.089401 (E_RNA)
where:
Base-Base interactions energy: -302.548
where: short stacking energy: -137.965
Base-Backbone interact. energy: -0.252
local terms energy: -222.290079
where:
bonds (distance) C4'-P energy: -51.368
bonds (distance) P-C4' energy: -57.180
flat angles C4'-P-C4' energy: -52.879
flat angles P-C4'-P energy: -28.240
tors. eta vs tors. theta energy: -32.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -425.521935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.521935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.521935 (E_RNA)
where:
Base-Base interactions energy: -249.453
where: short stacking energy: -122.755
Base-Backbone interact. energy: -0.392
local terms energy: -175.676201
where:
bonds (distance) C4'-P energy: -45.116
bonds (distance) P-C4' energy: -44.696
flat angles C4'-P-C4' energy: -40.495
flat angles P-C4'-P energy: -20.898
tors. eta vs tors. theta energy: -24.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -951.811104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.811104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.811104 (E_RNA)
where:
Base-Base interactions energy: -658.313
where: short stacking energy: -287.254
Base-Backbone interact. energy: 0.888
local terms energy: -294.385673
where:
bonds (distance) C4'-P energy: -50.413
bonds (distance) P-C4' energy: -48.717
flat angles C4'-P-C4' energy: -66.031
flat angles P-C4'-P energy: -41.617
tors. eta vs tors. theta energy: -87.608
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: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -918.324725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.324725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.324725 (E_RNA)
where:
Base-Base interactions energy: -638.815
where: short stacking energy: -288.153
Base-Backbone interact. energy: -1.596
local terms energy: -277.913818
where:
bonds (distance) C4'-P energy: -45.470
bonds (distance) P-C4' energy: -50.078
flat angles C4'-P-C4' energy: -59.018
flat angles P-C4'-P energy: -37.426
tors. eta vs tors. theta energy: -85.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -912.861655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.861655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.861655 (E_RNA)
where:
Base-Base interactions energy: -630.267
where: short stacking energy: -278.100
Base-Backbone interact. energy: -0.762
local terms energy: -281.832267
where:
bonds (distance) C4'-P energy: -56.920
bonds (distance) P-C4' energy: -46.656
flat angles C4'-P-C4' energy: -56.426
flat angles P-C4'-P energy: -45.420
tors. eta vs tors. theta energy: -76.410
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: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -859.189468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.189468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.189468 (E_RNA)
where:
Base-Base interactions energy: -604.167
where: short stacking energy: -246.803
Base-Backbone interact. energy: 1.879
local terms energy: -256.900887
where:
bonds (distance) C4'-P energy: -41.987
bonds (distance) P-C4' energy: -56.994
flat angles C4'-P-C4' energy: -55.162
flat angles P-C4'-P energy: -34.399
tors. eta vs tors. theta energy: -68.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -792.589771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.589771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.589771 (E_RNA)
where:
Base-Base interactions energy: -555.385
where: short stacking energy: -238.203
Base-Backbone interact. energy: -0.359
local terms energy: -236.845271
where:
bonds (distance) C4'-P energy: -46.320
bonds (distance) P-C4' energy: -40.845
flat angles C4'-P-C4' energy: -48.897
flat angles P-C4'-P energy: -35.482
tors. eta vs tors. theta energy: -65.302
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: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -828.825982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.825982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.825982 (E_RNA)
where:
Base-Base interactions energy: -559.531
where: short stacking energy: -249.920
Base-Backbone interact. energy: -0.646
local terms energy: -268.647997
where:
bonds (distance) C4'-P energy: -38.975
bonds (distance) P-C4' energy: -48.266
flat angles C4'-P-C4' energy: -56.800
flat angles P-C4'-P energy: -47.265
tors. eta vs tors. theta energy: -77.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -732.111602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.111602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.111602 (E_RNA)
where:
Base-Base interactions energy: -493.892
where: short stacking energy: -210.209
Base-Backbone interact. energy: -0.553
local terms energy: -237.666728
where:
bonds (distance) C4'-P energy: -38.360
bonds (distance) P-C4' energy: -56.754
flat angles C4'-P-C4' energy: -55.942
flat angles P-C4'-P energy: -28.479
tors. eta vs tors. theta energy: -58.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -715.665827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.665827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.665827 (E_RNA)
where:
Base-Base interactions energy: -505.123
where: short stacking energy: -217.567
Base-Backbone interact. energy: -1.047
local terms energy: -209.496584
where:
bonds (distance) C4'-P energy: -36.082
bonds (distance) P-C4' energy: -39.248
flat angles C4'-P-C4' energy: -45.202
flat angles P-C4'-P energy: -30.546
tors. eta vs tors. theta energy: -58.419
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: 78
Temperature: 1.300000
Total energy: -518.510310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.510310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.510310 (E_RNA)
where:
Base-Base interactions energy: -319.805
where: short stacking energy: -163.059
Base-Backbone interact. energy: 1.126
local terms energy: -199.831918
where:
bonds (distance) C4'-P energy: -49.409
bonds (distance) P-C4' energy: -35.754
flat angles C4'-P-C4' energy: -46.770
flat angles P-C4'-P energy: -33.028
tors. eta vs tors. theta energy: -34.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -387.158065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.158065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.158065 (E_RNA)
where:
Base-Base interactions energy: -227.103
where: short stacking energy: -109.254
Base-Backbone interact. energy: 1.192
local terms energy: -161.247351
where:
bonds (distance) C4'-P energy: -38.818
bonds (distance) P-C4' energy: -35.738
flat angles C4'-P-C4' energy: -46.913
flat angles P-C4'-P energy: -27.589
tors. eta vs tors. theta energy: -12.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -945.617916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.617916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.617916 (E_RNA)
where:
Base-Base interactions energy: -653.526
where: short stacking energy: -275.031
Base-Backbone interact. energy: -0.750
local terms energy: -291.341761
where:
bonds (distance) C4'-P energy: -51.250
bonds (distance) P-C4' energy: -59.318
flat angles C4'-P-C4' energy: -61.297
flat angles P-C4'-P energy: -43.259
tors. eta vs tors. theta energy: -76.218
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: 5
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -928.482819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.482819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.482819 (E_RNA)
where:
Base-Base interactions energy: -635.996
where: short stacking energy: -275.733
Base-Backbone interact. energy: -2.977
local terms energy: -289.509698
where:
bonds (distance) C4'-P energy: -56.592
bonds (distance) P-C4' energy: -54.118
flat angles C4'-P-C4' energy: -61.892
flat angles P-C4'-P energy: -40.760
tors. eta vs tors. theta energy: -76.147
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: 79
Temperature: 1.000000
Total energy: -911.263367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.263367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.263367 (E_RNA)
where:
Base-Base interactions energy: -642.682
where: short stacking energy: -273.964
Base-Backbone interact. energy: -1.361
local terms energy: -267.220132
where:
bonds (distance) C4'-P energy: -38.793
bonds (distance) P-C4' energy: -52.266
flat angles C4'-P-C4' energy: -56.108
flat angles P-C4'-P energy: -38.692
tors. eta vs tors. theta energy: -81.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -858.262089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.262089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.262089 (E_RNA)
where:
Base-Base interactions energy: -605.841
where: short stacking energy: -274.443
Base-Backbone interact. energy: -1.601
local terms energy: -250.820825
where:
bonds (distance) C4'-P energy: -40.860
bonds (distance) P-C4' energy: -42.893
flat angles C4'-P-C4' energy: -55.144
flat angles P-C4'-P energy: -36.538
tors. eta vs tors. theta energy: -75.385
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: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -795.988097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.988097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.988097 (E_RNA)
where:
Base-Base interactions energy: -562.902
where: short stacking energy: -241.508
Base-Backbone interact. energy: -0.024
local terms energy: -233.063044
where:
bonds (distance) C4'-P energy: -47.233
bonds (distance) P-C4' energy: -42.818
flat angles C4'-P-C4' energy: -55.324
flat angles P-C4'-P energy: -25.216
tors. eta vs tors. theta energy: -62.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -804.963428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.963428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.963428 (E_RNA)
where:
Base-Base interactions energy: -550.530
where: short stacking energy: -244.525
Base-Backbone interact. energy: -0.199
local terms energy: -254.234452
where:
bonds (distance) C4'-P energy: -48.540
bonds (distance) P-C4' energy: -44.845
flat angles C4'-P-C4' energy: -52.949
flat angles P-C4'-P energy: -43.754
tors. eta vs tors. theta energy: -64.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -740.628982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.628982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.628982 (E_RNA)
where:
Base-Base interactions energy: -522.403
where: short stacking energy: -233.704
Base-Backbone interact. energy: -0.996
local terms energy: -217.229586
where:
bonds (distance) C4'-P energy: -37.679
bonds (distance) P-C4' energy: -41.012
flat angles C4'-P-C4' energy: -48.438
flat angles P-C4'-P energy: -32.400
tors. eta vs tors. theta energy: -57.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -697.839455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.839455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.839455 (E_RNA)
where:
Base-Base interactions energy: -480.817
where: short stacking energy: -203.310
Base-Backbone interact. energy: 0.561
local terms energy: -217.583115
where:
bonds (distance) C4'-P energy: -35.434
bonds (distance) P-C4' energy: -49.050
flat angles C4'-P-C4' energy: -50.342
flat angles P-C4'-P energy: -30.363
tors. eta vs tors. theta energy: -52.394
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: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -484.906801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.906801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.906801 (E_RNA)
where:
Base-Base interactions energy: -299.011
where: short stacking energy: -121.724
Base-Backbone interact. energy: 3.509
local terms energy: -189.404831
where:
bonds (distance) C4'-P energy: -44.597
bonds (distance) P-C4' energy: -46.015
flat angles C4'-P-C4' energy: -48.272
flat angles P-C4'-P energy: -25.381
tors. eta vs tors. theta energy: -25.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -380.086961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.086961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.086961 (E_RNA)
where:
Base-Base interactions energy: -220.330
where: short stacking energy: -105.518
Base-Backbone interact. energy: -0.550
local terms energy: -159.206563
where:
bonds (distance) C4'-P energy: -38.535
bonds (distance) P-C4' energy: -41.366
flat angles C4'-P-C4' energy: -42.715
flat angles P-C4'-P energy: -24.352
tors. eta vs tors. theta energy: -12.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -951.628053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.628053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.628053 (E_RNA)
where:
Base-Base interactions energy: -669.752
where: short stacking energy: -279.750
Base-Backbone interact. energy: -1.356
local terms energy: -280.520363
where:
bonds (distance) C4'-P energy: -50.676
bonds (distance) P-C4' energy: -49.625
flat angles C4'-P-C4' energy: -58.939
flat angles P-C4'-P energy: -42.594
tors. eta vs tors. theta energy: -78.687
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: 5
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -931.817030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.817030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.817030 (E_RNA)
where:
Base-Base interactions energy: -659.355
where: short stacking energy: -260.934
Base-Backbone interact. energy: -0.630
local terms energy: -271.832157
where:
bonds (distance) C4'-P energy: -51.683
bonds (distance) P-C4' energy: -53.371
flat angles C4'-P-C4' energy: -55.395
flat angles P-C4'-P energy: -45.171
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: 3, replica: 9
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -919.199409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.199409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.199409 (E_RNA)
where:
Base-Base interactions energy: -638.017
where: short stacking energy: -270.797
Base-Backbone interact. energy: 2.780
local terms energy: -283.962824
where:
bonds (distance) C4'-P energy: -51.541
bonds (distance) P-C4' energy: -56.154
flat angles C4'-P-C4' energy: -58.527
flat angles P-C4'-P energy: -39.027
tors. eta vs tors. theta energy: -78.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -843.331040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.331040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.331040 (E_RNA)
where:
Base-Base interactions energy: -575.144
where: short stacking energy: -236.802
Base-Backbone interact. energy: 0.292
local terms energy: -268.479876
where:
bonds (distance) C4'-P energy: -44.697
bonds (distance) P-C4' energy: -53.626
flat angles C4'-P-C4' energy: -59.113
flat angles P-C4'-P energy: -35.529
tors. eta vs tors. theta energy: -75.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -808.695300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.695300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.695300 (E_RNA)
where:
Base-Base interactions energy: -556.856
where: short stacking energy: -245.426
Base-Backbone interact. energy: 0.906
local terms energy: -252.745757
where:
bonds (distance) C4'-P energy: -47.316
bonds (distance) P-C4' energy: -53.313
flat angles C4'-P-C4' energy: -48.110
flat angles P-C4'-P energy: -37.136
tors. eta vs tors. theta energy: -66.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -791.185806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.185806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.185806 (E_RNA)
where:
Base-Base interactions energy: -549.700
where: short stacking energy: -233.039
Base-Backbone interact. energy: -1.809
local terms energy: -239.676959
where:
bonds (distance) C4'-P energy: -53.285
bonds (distance) P-C4' energy: -41.810
flat angles C4'-P-C4' energy: -54.303
flat angles P-C4'-P energy: -27.914
tors. eta vs tors. theta energy: -62.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -754.968789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.968789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.968789 (E_RNA)
where:
Base-Base interactions energy: -509.376
where: short stacking energy: -228.499
Base-Backbone interact. energy: 2.562
local terms energy: -248.154342
where:
bonds (distance) C4'-P energy: -39.231
bonds (distance) P-C4' energy: -45.501
flat angles C4'-P-C4' energy: -58.909
flat angles P-C4'-P energy: -36.306
tors. eta vs tors. theta energy: -68.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -722.811921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.811921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.811921 (E_RNA)
where:
Base-Base interactions energy: -494.325
where: short stacking energy: -219.242
Base-Backbone interact. energy: -0.830
local terms energy: -227.657748
where:
bonds (distance) C4'-P energy: -50.934
bonds (distance) P-C4' energy: -44.376
flat angles C4'-P-C4' energy: -48.085
flat angles P-C4'-P energy: -26.784
tors. eta vs tors. theta energy: -57.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -509.939810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.939810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.939810 (E_RNA)
where:
Base-Base interactions energy: -308.023
where: short stacking energy: -129.492
Base-Backbone interact. energy: 1.629
local terms energy: -203.545663
where:
bonds (distance) C4'-P energy: -48.708
bonds (distance) P-C4' energy: -52.446
flat angles C4'-P-C4' energy: -38.504
flat angles P-C4'-P energy: -30.545
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: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -398.063984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.063984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.063984 (E_RNA)
where:
Base-Base interactions energy: -223.678
where: short stacking energy: -127.799
Base-Backbone interact. energy: -1.211
local terms energy: -173.174816
where:
bonds (distance) C4'-P energy: -39.226
bonds (distance) P-C4' energy: -44.194
flat angles C4'-P-C4' energy: -39.300
flat angles P-C4'-P energy: -24.323
tors. eta vs tors. theta energy: -26.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -955.105706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.105706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.105706 (E_RNA)
where:
Base-Base interactions energy: -670.536
where: short stacking energy: -271.483
Base-Backbone interact. energy: 0.294
local terms energy: -284.863634
where:
bonds (distance) C4'-P energy: -55.284
bonds (distance) P-C4' energy: -49.580
flat angles C4'-P-C4' energy: -60.502
flat angles P-C4'-P energy: -38.241
tors. eta vs tors. theta energy: -81.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -927.223727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.223727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.223727 (E_RNA)
where:
Base-Base interactions energy: -640.737
where: short stacking energy: -274.423
Base-Backbone interact. energy: 0.188
local terms energy: -286.674169
where:
bonds (distance) C4'-P energy: -51.611
bonds (distance) P-C4' energy: -59.538
flat angles C4'-P-C4' energy: -57.078
flat angles P-C4'-P energy: -40.703
tors. eta vs tors. theta energy: -77.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -902.065921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.065921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.065921 (E_RNA)
where:
Base-Base interactions energy: -628.501
where: short stacking energy: -263.953
Base-Backbone interact. energy: 4.968
local terms energy: -278.533220
where:
bonds (distance) C4'-P energy: -53.624
bonds (distance) P-C4' energy: -48.981
flat angles C4'-P-C4' energy: -65.201
flat angles P-C4'-P energy: -35.337
tors. eta vs tors. theta energy: -75.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -813.763391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.763391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.763391 (E_RNA)
where:
Base-Base interactions energy: -550.495
where: short stacking energy: -251.922
Base-Backbone interact. energy: 0.061
local terms energy: -263.330007
where:
bonds (distance) C4'-P energy: -49.173
bonds (distance) P-C4' energy: -48.556
flat angles C4'-P-C4' energy: -55.377
flat angles P-C4'-P energy: -39.432
tors. eta vs tors. theta energy: -70.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -855.119082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.119082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.119082 (E_RNA)
where:
Base-Base interactions energy: -593.809
where: short stacking energy: -249.387
Base-Backbone interact. energy: 0.281
local terms energy: -261.591527
where:
bonds (distance) C4'-P energy: -53.948
bonds (distance) P-C4' energy: -47.239
flat angles C4'-P-C4' energy: -56.315
flat angles P-C4'-P energy: -34.138
tors. eta vs tors. theta energy: -69.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -758.482789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.482789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.482789 (E_RNA)
where:
Base-Base interactions energy: -511.205
where: short stacking energy: -213.189
Base-Backbone interact. energy: 0.435
local terms energy: -247.713303
where:
bonds (distance) C4'-P energy: -40.837
bonds (distance) P-C4' energy: -47.997
flat angles C4'-P-C4' energy: -62.385
flat angles P-C4'-P energy: -42.230
tors. eta vs tors. theta energy: -54.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -780.791173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.791173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.791173 (E_RNA)
where:
Base-Base interactions energy: -545.632
where: short stacking energy: -228.111
Base-Backbone interact. energy: -0.761
local terms energy: -234.398286
where:
bonds (distance) C4'-P energy: -35.195
bonds (distance) P-C4' energy: -46.262
flat angles C4'-P-C4' energy: -55.377
flat angles P-C4'-P energy: -33.882
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: 8, replica: 2
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -729.213166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.213166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.213166 (E_RNA)
where:
Base-Base interactions energy: -504.714
where: short stacking energy: -202.254
Base-Backbone interact. energy: 1.505
local terms energy: -226.004377
where:
bonds (distance) C4'-P energy: -43.407
bonds (distance) P-C4' energy: -48.985
flat angles C4'-P-C4' energy: -51.905
flat angles P-C4'-P energy: -28.643
tors. eta vs tors. theta energy: -53.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -508.122905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.122905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.122905 (E_RNA)
where:
Base-Base interactions energy: -316.381
where: short stacking energy: -159.659
Base-Backbone interact. energy: -0.429
local terms energy: -191.312155
where:
bonds (distance) C4'-P energy: -42.125
bonds (distance) P-C4' energy: -49.608
flat angles C4'-P-C4' energy: -47.025
flat angles P-C4'-P energy: -24.082
tors. eta vs tors. theta energy: -28.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -381.471946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.471946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.471946 (E_RNA)
where:
Base-Base interactions energy: -222.390
where: short stacking energy: -97.859
Base-Backbone interact. energy: -1.592
local terms energy: -157.490235
where:
bonds (distance) C4'-P energy: -39.306
bonds (distance) P-C4' energy: -49.383
flat angles C4'-P-C4' energy: -40.320
flat angles P-C4'-P energy: -18.944
tors. eta vs tors. theta energy: -9.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -941.214168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.214168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.214168 (E_RNA)
where:
Base-Base interactions energy: -648.616
where: short stacking energy: -279.782
Base-Backbone interact. energy: -1.150
local terms energy: -291.447729
where:
bonds (distance) C4'-P energy: -49.770
bonds (distance) P-C4' energy: -57.508
flat angles C4'-P-C4' energy: -59.635
flat angles P-C4'-P energy: -43.369
tors. eta vs tors. theta energy: -81.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -929.856528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.856528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.856528 (E_RNA)
where:
Base-Base interactions energy: -653.297
where: short stacking energy: -277.722
Base-Backbone interact. energy: -2.084
local terms energy: -274.475534
where:
bonds (distance) C4'-P energy: -48.646
bonds (distance) P-C4' energy: -59.457
flat angles C4'-P-C4' energy: -57.386
flat angles P-C4'-P energy: -31.052
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: 3, replica: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -905.219681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.219681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.219681 (E_RNA)
where:
Base-Base interactions energy: -633.360
where: short stacking energy: -271.239
Base-Backbone interact. energy: -0.789
local terms energy: -271.070951
where:
bonds (distance) C4'-P energy: -44.311
bonds (distance) P-C4' energy: -54.755
flat angles C4'-P-C4' energy: -55.194
flat angles P-C4'-P energy: -40.316
tors. eta vs tors. theta energy: -76.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -821.656948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.656948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.656948 (E_RNA)
where:
Base-Base interactions energy: -571.769
where: short stacking energy: -239.737
Base-Backbone interact. energy: 0.866
local terms energy: -250.754581
where:
bonds (distance) C4'-P energy: -40.902
bonds (distance) P-C4' energy: -51.941
flat angles C4'-P-C4' energy: -52.899
flat angles P-C4'-P energy: -37.840
tors. eta vs tors. theta energy: -67.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -842.108741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.108741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.108741 (E_RNA)
where:
Base-Base interactions energy: -569.325
where: short stacking energy: -252.119
Base-Backbone interact. energy: -0.905
local terms energy: -271.878065
where:
bonds (distance) C4'-P energy: -55.538
bonds (distance) P-C4' energy: -50.199
flat angles C4'-P-C4' energy: -52.314
flat angles P-C4'-P energy: -37.687
tors. eta vs tors. theta energy: -76.140
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: 6, replica: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -761.326848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.326848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.326848 (E_RNA)
where:
Base-Base interactions energy: -517.915
where: short stacking energy: -225.802
Base-Backbone interact. energy: -1.243
local terms energy: -242.169457
where:
bonds (distance) C4'-P energy: -46.082
bonds (distance) P-C4' energy: -48.919
flat angles C4'-P-C4' energy: -57.926
flat angles P-C4'-P energy: -29.692
tors. eta vs tors. theta energy: -59.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -762.091385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.091385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.091385 (E_RNA)
where:
Base-Base interactions energy: -514.191
where: short stacking energy: -217.142
Base-Backbone interact. energy: -0.461
local terms energy: -247.439387
where:
bonds (distance) C4'-P energy: -53.729
bonds (distance) P-C4' energy: -44.488
flat angles C4'-P-C4' energy: -58.388
flat angles P-C4'-P energy: -38.037
tors. eta vs tors. theta energy: -52.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -726.645721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.645721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.645721 (E_RNA)
where:
Base-Base interactions energy: -498.668
where: short stacking energy: -210.058
Base-Backbone interact. energy: -1.133
local terms energy: -226.844077
where:
bonds (distance) C4'-P energy: -38.354
bonds (distance) P-C4' energy: -46.667
flat angles C4'-P-C4' energy: -50.533
flat angles P-C4'-P energy: -34.313
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: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -513.985177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.985177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.985177 (E_RNA)
where:
Base-Base interactions energy: -330.645
where: short stacking energy: -149.805
Base-Backbone interact. energy: -1.714
local terms energy: -181.626796
where:
bonds (distance) C4'-P energy: -39.402
bonds (distance) P-C4' energy: -51.032
flat angles C4'-P-C4' energy: -37.587
flat angles P-C4'-P energy: -25.281
tors. eta vs tors. theta energy: -28.325
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: 82
Temperature: 1.350000
Total energy: -421.845884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.845884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.845884 (E_RNA)
where:
Base-Base interactions energy: -243.736
where: short stacking energy: -114.445
Base-Backbone interact. energy: 0.997
local terms energy: -179.106436
where:
bonds (distance) C4'-P energy: -46.186
bonds (distance) P-C4' energy: -40.486
flat angles C4'-P-C4' energy: -38.515
flat angles P-C4'-P energy: -33.016
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -945.343054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.343054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.343054 (E_RNA)
where:
Base-Base interactions energy: -662.946
where: short stacking energy: -296.182
Base-Backbone interact. energy: -0.956
local terms energy: -281.440616
where:
bonds (distance) C4'-P energy: -53.919
bonds (distance) P-C4' energy: -46.062
flat angles C4'-P-C4' energy: -57.607
flat angles P-C4'-P energy: -40.892
tors. eta vs tors. theta energy: -82.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -922.404475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.404475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.404475 (E_RNA)
where:
Base-Base interactions energy: -644.000
where: short stacking energy: -272.579
Base-Backbone interact. energy: -1.043
local terms energy: -277.361512
where:
bonds (distance) C4'-P energy: -50.635
bonds (distance) P-C4' energy: -47.377
flat angles C4'-P-C4' energy: -58.909
flat angles P-C4'-P energy: -41.246
tors. eta vs tors. theta energy: -79.195
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: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -908.549372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.549372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.549372 (E_RNA)
where:
Base-Base interactions energy: -624.802
where: short stacking energy: -265.501
Base-Backbone interact. energy: -1.181
local terms energy: -282.566892
where:
bonds (distance) C4'-P energy: -56.017
bonds (distance) P-C4' energy: -51.548
flat angles C4'-P-C4' energy: -60.061
flat angles P-C4'-P energy: -32.169
tors. eta vs tors. theta energy: -82.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -865.288243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.288243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.288243 (E_RNA)
where:
Base-Base interactions energy: -599.545
where: short stacking energy: -256.276
Base-Backbone interact. energy: -0.438
local terms energy: -265.305582
where:
bonds (distance) C4'-P energy: -44.820
bonds (distance) P-C4' energy: -47.479
flat angles C4'-P-C4' energy: -46.446
flat angles P-C4'-P energy: -47.638
tors. eta vs tors. theta energy: -78.923
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: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -819.290778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.290778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.290778 (E_RNA)
where:
Base-Base interactions energy: -590.321
where: short stacking energy: -250.008
Base-Backbone interact. energy: 1.268
local terms energy: -230.238094
where:
bonds (distance) C4'-P energy: -39.596
bonds (distance) P-C4' energy: -44.746
flat angles C4'-P-C4' energy: -51.772
flat angles P-C4'-P energy: -33.515
tors. eta vs tors. theta energy: -60.610
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: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -737.529446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.529446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.529446 (E_RNA)
where:
Base-Base interactions energy: -508.059
where: short stacking energy: -215.351
Base-Backbone interact. energy: 1.396
local terms energy: -230.866872
where:
bonds (distance) C4'-P energy: -42.244
bonds (distance) P-C4' energy: -43.282
flat angles C4'-P-C4' energy: -49.876
flat angles P-C4'-P energy: -32.640
tors. eta vs tors. theta energy: -62.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -734.414758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.414758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.414758 (E_RNA)
where:
Base-Base interactions energy: -502.687
where: short stacking energy: -222.498
Base-Backbone interact. energy: 1.507
local terms energy: -233.235371
where:
bonds (distance) C4'-P energy: -43.636
bonds (distance) P-C4' energy: -50.049
flat angles C4'-P-C4' energy: -49.017
flat angles P-C4'-P energy: -33.193
tors. eta vs tors. theta energy: -57.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -734.209205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.209205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.209205 (E_RNA)
where:
Base-Base interactions energy: -504.467
where: short stacking energy: -212.441
Base-Backbone interact. energy: 1.228
local terms energy: -230.969944
where:
bonds (distance) C4'-P energy: -33.184
bonds (distance) P-C4' energy: -43.675
flat angles C4'-P-C4' energy: -52.561
flat angles P-C4'-P energy: -36.804
tors. eta vs tors. theta energy: -64.747
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: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -460.062888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.062888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.062888 (E_RNA)
where:
Base-Base interactions energy: -292.524
where: short stacking energy: -126.816
Base-Backbone interact. energy: 3.153
local terms energy: -170.691580
where:
bonds (distance) C4'-P energy: -38.155
bonds (distance) P-C4' energy: -44.226
flat angles C4'-P-C4' energy: -37.439
flat angles P-C4'-P energy: -28.602
tors. eta vs tors. theta energy: -22.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -409.052548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.052548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.052548 (E_RNA)
where:
Base-Base interactions energy: -236.795
where: short stacking energy: -123.937
Base-Backbone interact. energy: -1.135
local terms energy: -171.122444
where:
bonds (distance) C4'-P energy: -34.733
bonds (distance) P-C4' energy: -47.603
flat angles C4'-P-C4' energy: -35.656
flat angles P-C4'-P energy: -31.961
tors. eta vs tors. theta energy: -21.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -930.677361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.677361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.677361 (E_RNA)
where:
Base-Base interactions energy: -645.915
where: short stacking energy: -268.669
Base-Backbone interact. energy: 0.111
local terms energy: -284.873420
where:
bonds (distance) C4'-P energy: -51.065
bonds (distance) P-C4' energy: -53.927
flat angles C4'-P-C4' energy: -58.394
flat angles P-C4'-P energy: -45.596
tors. eta vs tors. theta energy: -75.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -914.256758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.256758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.256758 (E_RNA)
where:
Base-Base interactions energy: -636.787
where: short stacking energy: -273.263
Base-Backbone interact. energy: -1.361
local terms energy: -276.109364
where:
bonds (distance) C4'-P energy: -49.053
bonds (distance) P-C4' energy: -53.021
flat angles C4'-P-C4' energy: -57.517
flat angles P-C4'-P energy: -38.991
tors. eta vs tors. theta energy: -77.527
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: 3, replica: 4
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -896.547222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.547222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.547222 (E_RNA)
where:
Base-Base interactions energy: -623.797
where: short stacking energy: -267.529
Base-Backbone interact. energy: -0.781
local terms energy: -271.969094
where:
bonds (distance) C4'-P energy: -44.002
bonds (distance) P-C4' energy: -51.151
flat angles C4'-P-C4' energy: -55.976
flat angles P-C4'-P energy: -43.353
tors. eta vs tors. theta energy: -77.487
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: 1
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -844.709324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.709324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.709324 (E_RNA)
where:
Base-Base interactions energy: -575.340
where: short stacking energy: -247.311
Base-Backbone interact. energy: -1.030
local terms energy: -268.340006
where:
bonds (distance) C4'-P energy: -40.070
bonds (distance) P-C4' energy: -51.428
flat angles C4'-P-C4' energy: -59.386
flat angles P-C4'-P energy: -43.951
tors. eta vs tors. theta energy: -73.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -835.951986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.951986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.951986 (E_RNA)
where:
Base-Base interactions energy: -587.567
where: short stacking energy: -242.035
Base-Backbone interact. energy: -0.985
local terms energy: -247.399483
where:
bonds (distance) C4'-P energy: -49.482
bonds (distance) P-C4' energy: -42.125
flat angles C4'-P-C4' energy: -53.306
flat angles P-C4'-P energy: -37.372
tors. eta vs tors. theta energy: -65.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -780.501192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.501192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.501192 (E_RNA)
where:
Base-Base interactions energy: -528.646
where: short stacking energy: -226.394
Base-Backbone interact. energy: -0.381
local terms energy: -251.474755
where:
bonds (distance) C4'-P energy: -50.547
bonds (distance) P-C4' energy: -50.998
flat angles C4'-P-C4' energy: -50.346
flat angles P-C4'-P energy: -34.150
tors. eta vs tors. theta energy: -65.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -761.560146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.560146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.560146 (E_RNA)
where:
Base-Base interactions energy: -523.152
where: short stacking energy: -220.133
Base-Backbone interact. energy: -1.410
local terms energy: -236.997545
where:
bonds (distance) C4'-P energy: -47.073
bonds (distance) P-C4' energy: -49.942
flat angles C4'-P-C4' energy: -45.586
flat angles P-C4'-P energy: -33.133
tors. eta vs tors. theta energy: -61.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -672.939377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.939377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.939377 (E_RNA)
where:
Base-Base interactions energy: -446.362
where: short stacking energy: -178.566
Base-Backbone interact. energy: -0.475
local terms energy: -226.101799
where:
bonds (distance) C4'-P energy: -39.892
bonds (distance) P-C4' energy: -53.286
flat angles C4'-P-C4' energy: -44.415
flat angles P-C4'-P energy: -37.639
tors. eta vs tors. theta energy: -50.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -503.599585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.599585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.599585 (E_RNA)
where:
Base-Base interactions energy: -322.882
where: short stacking energy: -141.959
Base-Backbone interact. energy: -0.805
local terms energy: -179.912528
where:
bonds (distance) C4'-P energy: -44.727
bonds (distance) P-C4' energy: -42.371
flat angles C4'-P-C4' energy: -39.518
flat angles P-C4'-P energy: -26.873
tors. eta vs tors. theta energy: -26.424
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: 84
Temperature: 1.350000
Total energy: -381.435345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.435345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.435345 (E_RNA)
where:
Base-Base interactions energy: -201.630
where: short stacking energy: -102.742
Base-Backbone interact. energy: 0.290
local terms energy: -180.095879
where:
bonds (distance) C4'-P energy: -38.596
bonds (distance) P-C4' energy: -54.796
flat angles C4'-P-C4' energy: -45.275
flat angles P-C4'-P energy: -29.281
tors. eta vs tors. theta energy: -12.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -959.314853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.314853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.314853 (E_RNA)
where:
Base-Base interactions energy: -674.336
where: short stacking energy: -279.200
Base-Backbone interact. energy: -1.161
local terms energy: -283.817573
where:
bonds (distance) C4'-P energy: -52.146
bonds (distance) P-C4' energy: -49.750
flat angles C4'-P-C4' energy: -62.813
flat angles P-C4'-P energy: -38.142
tors. eta vs tors. theta energy: -80.965
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: 2, replica: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -943.502560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.502560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.502560 (E_RNA)
where:
Base-Base interactions energy: -654.548
where: short stacking energy: -273.037
Base-Backbone interact. energy: -0.584
local terms energy: -288.369981
where:
bonds (distance) C4'-P energy: -56.262
bonds (distance) P-C4' energy: -53.644
flat angles C4'-P-C4' energy: -60.188
flat angles P-C4'-P energy: -40.609
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: 3, replica: 5
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -894.906713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.906713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.906713 (E_RNA)
where:
Base-Base interactions energy: -623.231
where: short stacking energy: -255.520
Base-Backbone interact. energy: -1.091
local terms energy: -270.584651
where:
bonds (distance) C4'-P energy: -45.367
bonds (distance) P-C4' energy: -53.111
flat angles C4'-P-C4' energy: -58.844
flat angles P-C4'-P energy: -39.308
tors. eta vs tors. theta energy: -73.955
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: 4, replica: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -848.332426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.332426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.332426 (E_RNA)
where:
Base-Base interactions energy: -588.328
where: short stacking energy: -245.620
Base-Backbone interact. energy: 0.114
local terms energy: -260.118713
where:
bonds (distance) C4'-P energy: -40.315
bonds (distance) P-C4' energy: -45.932
flat angles C4'-P-C4' energy: -58.421
flat angles P-C4'-P energy: -40.215
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: 5, replica: 1
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -815.041087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.041087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.041087 (E_RNA)
where:
Base-Base interactions energy: -573.988
where: short stacking energy: -242.031
Base-Backbone interact. energy: -0.388
local terms energy: -240.664888
where:
bonds (distance) C4'-P energy: -50.627
bonds (distance) P-C4' energy: -40.941
flat angles C4'-P-C4' energy: -53.176
flat angles P-C4'-P energy: -30.573
tors. eta vs tors. theta energy: -65.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -773.641640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.641640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.641640 (E_RNA)
where:
Base-Base interactions energy: -547.430
where: short stacking energy: -226.183
Base-Backbone interact. energy: 0.540
local terms energy: -226.751553
where:
bonds (distance) C4'-P energy: -44.085
bonds (distance) P-C4' energy: -37.002
flat angles C4'-P-C4' energy: -56.904
flat angles P-C4'-P energy: -26.029
tors. eta vs tors. theta energy: -62.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -774.006005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.006005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.006005 (E_RNA)
where:
Base-Base interactions energy: -543.592
where: short stacking energy: -213.633
Base-Backbone interact. energy: -1.364
local terms energy: -229.050012
where:
bonds (distance) C4'-P energy: -50.054
bonds (distance) P-C4' energy: -44.194
flat angles C4'-P-C4' energy: -50.769
flat angles P-C4'-P energy: -34.724
tors. eta vs tors. theta energy: -49.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -698.224613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.224613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.224613 (E_RNA)
where:
Base-Base interactions energy: -480.144
where: short stacking energy: -194.811
Base-Backbone interact. energy: -0.748
local terms energy: -217.333240
where:
bonds (distance) C4'-P energy: -44.169
bonds (distance) P-C4' energy: -35.227
flat angles C4'-P-C4' energy: -54.303
flat angles P-C4'-P energy: -39.576
tors. eta vs tors. theta energy: -44.058
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: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -519.398498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.398498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.398498 (E_RNA)
where:
Base-Base interactions energy: -311.273
where: short stacking energy: -136.450
Base-Backbone interact. energy: -1.474
local terms energy: -206.651431
where:
bonds (distance) C4'-P energy: -49.846
bonds (distance) P-C4' energy: -48.006
flat angles C4'-P-C4' energy: -46.251
flat angles P-C4'-P energy: -32.767
tors. eta vs tors. theta energy: -29.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -372.221767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.221767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.221767 (E_RNA)
where:
Base-Base interactions energy: -189.479
where: short stacking energy: -106.097
Base-Backbone interact. energy: 0.282
local terms energy: -183.024309
where:
bonds (distance) C4'-P energy: -45.265
bonds (distance) P-C4' energy: -48.954
flat angles C4'-P-C4' energy: -40.738
flat angles P-C4'-P energy: -18.728
tors. eta vs tors. theta energy: -29.338
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: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -963.707837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.707837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.707837 (E_RNA)
where:
Base-Base interactions energy: -672.637
where: short stacking energy: -284.835
Base-Backbone interact. energy: -1.436
local terms energy: -289.635675
where:
bonds (distance) C4'-P energy: -58.974
bonds (distance) P-C4' energy: -56.922
flat angles C4'-P-C4' energy: -52.308
flat angles P-C4'-P energy: -43.710
tors. eta vs tors. theta energy: -77.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -921.355306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.355306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.355306 (E_RNA)
where:
Base-Base interactions energy: -638.458
where: short stacking energy: -277.098
Base-Backbone interact. energy: -0.717
local terms energy: -282.180590
where:
bonds (distance) C4'-P energy: -51.134
bonds (distance) P-C4' energy: -49.563
flat angles C4'-P-C4' energy: -59.007
flat angles P-C4'-P energy: -37.149
tors. eta vs tors. theta energy: -85.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -898.748683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.748683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.748683 (E_RNA)
where:
Base-Base interactions energy: -624.245
where: short stacking energy: -265.817
Base-Backbone interact. energy: -0.495
local terms energy: -274.008731
where:
bonds (distance) C4'-P energy: -45.927
bonds (distance) P-C4' energy: -52.817
flat angles C4'-P-C4' energy: -54.414
flat angles P-C4'-P energy: -40.465
tors. eta vs tors. theta energy: -80.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -857.960454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.960454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.960454 (E_RNA)
where:
Base-Base interactions energy: -585.769
where: short stacking energy: -243.391
Base-Backbone interact. energy: -1.070
local terms energy: -271.121503
where:
bonds (distance) C4'-P energy: -50.763
bonds (distance) P-C4' energy: -53.800
flat angles C4'-P-C4' energy: -59.762
flat angles P-C4'-P energy: -39.767
tors. eta vs tors. theta energy: -67.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -792.551701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.551701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.551701 (E_RNA)
where:
Base-Base interactions energy: -546.133
where: short stacking energy: -226.897
Base-Backbone interact. energy: 0.345
local terms energy: -246.764197
where:
bonds (distance) C4'-P energy: -52.234
bonds (distance) P-C4' energy: -42.705
flat angles C4'-P-C4' energy: -52.443
flat angles P-C4'-P energy: -35.770
tors. eta vs tors. theta energy: -63.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -779.308344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.308344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.308344 (E_RNA)
where:
Base-Base interactions energy: -558.879
where: short stacking energy: -245.672
Base-Backbone interact. energy: 1.953
local terms energy: -222.382368
where:
bonds (distance) C4'-P energy: -39.664
bonds (distance) P-C4' energy: -38.815
flat angles C4'-P-C4' energy: -48.582
flat angles P-C4'-P energy: -30.635
tors. eta vs tors. theta energy: -64.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -769.484714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.484714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.484714 (E_RNA)
where:
Base-Base interactions energy: -547.112
where: short stacking energy: -219.015
Base-Backbone interact. energy: -0.836
local terms energy: -221.536775
where:
bonds (distance) C4'-P energy: -41.120
bonds (distance) P-C4' energy: -41.845
flat angles C4'-P-C4' energy: -53.367
flat angles P-C4'-P energy: -36.520
tors. eta vs tors. theta energy: -48.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -684.452978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.452978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.452978 (E_RNA)
where:
Base-Base interactions energy: -467.220
where: short stacking energy: -194.109
Base-Backbone interact. energy: 0.676
local terms energy: -217.909659
where:
bonds (distance) C4'-P energy: -46.619
bonds (distance) P-C4' energy: -46.882
flat angles C4'-P-C4' energy: -48.591
flat angles P-C4'-P energy: -27.614
tors. eta vs tors. theta energy: -48.204
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: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -476.536127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.536127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.536127 (E_RNA)
where:
Base-Base interactions energy: -290.881
where: short stacking energy: -135.176
Base-Backbone interact. energy: 0.461
local terms energy: -186.116602
where:
bonds (distance) C4'-P energy: -44.149
bonds (distance) P-C4' energy: -42.961
flat angles C4'-P-C4' energy: -55.342
flat angles P-C4'-P energy: -18.906
tors. eta vs tors. theta energy: -24.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -332.518757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.518757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.518757 (E_RNA)
where:
Base-Base interactions energy: -169.460
where: short stacking energy: -95.020
Base-Backbone interact. energy: -2.796
local terms energy: -160.262780
where:
bonds (distance) C4'-P energy: -43.704
bonds (distance) P-C4' energy: -49.122
flat angles C4'-P-C4' energy: -44.394
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -7.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -955.130704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.130704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.130704 (E_RNA)
where:
Base-Base interactions energy: -675.557
where: short stacking energy: -281.677
Base-Backbone interact. energy: -0.463
local terms energy: -279.110733
where:
bonds (distance) C4'-P energy: -48.877
bonds (distance) P-C4' energy: -53.171
flat angles C4'-P-C4' energy: -60.325
flat angles P-C4'-P energy: -41.176
tors. eta vs tors. theta energy: -75.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -935.380354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.380354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.380354 (E_RNA)
where:
Base-Base interactions energy: -650.676
where: short stacking energy: -285.070
Base-Backbone interact. energy: -0.122
local terms energy: -284.582120
where:
bonds (distance) C4'-P energy: -47.111
bonds (distance) P-C4' energy: -50.816
flat angles C4'-P-C4' energy: -56.330
flat angles P-C4'-P energy: -45.537
tors. eta vs tors. theta energy: -84.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -927.208869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.208869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.208869 (E_RNA)
where:
Base-Base interactions energy: -647.021
where: short stacking energy: -275.215
Base-Backbone interact. energy: -1.708
local terms energy: -278.479424
where:
bonds (distance) C4'-P energy: -45.164
bonds (distance) P-C4' energy: -56.043
flat angles C4'-P-C4' energy: -57.712
flat angles P-C4'-P energy: -37.816
tors. eta vs tors. theta energy: -81.744
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: 4, replica: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -828.992765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.992765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.992765 (E_RNA)
where:
Base-Base interactions energy: -571.679
where: short stacking energy: -236.992
Base-Backbone interact. energy: -0.562
local terms energy: -256.752169
where:
bonds (distance) C4'-P energy: -52.839
bonds (distance) P-C4' energy: -56.682
flat angles C4'-P-C4' energy: -54.976
flat angles P-C4'-P energy: -36.570
tors. eta vs tors. theta energy: -55.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -826.787622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.787622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.787622 (E_RNA)
where:
Base-Base interactions energy: -580.496
where: short stacking energy: -243.197
Base-Backbone interact. energy: 0.423
local terms energy: -246.714085
where:
bonds (distance) C4'-P energy: -38.982
bonds (distance) P-C4' energy: -54.316
flat angles C4'-P-C4' energy: -48.186
flat angles P-C4'-P energy: -40.661
tors. eta vs tors. theta energy: -64.569
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: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -809.951117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.951117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.951117 (E_RNA)
where:
Base-Base interactions energy: -554.257
where: short stacking energy: -221.153
Base-Backbone interact. energy: -0.432
local terms energy: -255.262025
where:
bonds (distance) C4'-P energy: -55.080
bonds (distance) P-C4' energy: -48.509
flat angles C4'-P-C4' energy: -51.130
flat angles P-C4'-P energy: -38.267
tors. eta vs tors. theta energy: -62.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -767.082113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.082113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.082113 (E_RNA)
where:
Base-Base interactions energy: -531.230
where: short stacking energy: -219.652
Base-Backbone interact. energy: 1.267
local terms energy: -237.118546
where:
bonds (distance) C4'-P energy: -44.718
bonds (distance) P-C4' energy: -44.320
flat angles C4'-P-C4' energy: -45.838
flat angles P-C4'-P energy: -40.461
tors. eta vs tors. theta energy: -61.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -684.745181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.745181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.745181 (E_RNA)
where:
Base-Base interactions energy: -471.527
where: short stacking energy: -201.576
Base-Backbone interact. energy: -0.514
local terms energy: -212.704291
where:
bonds (distance) C4'-P energy: -37.226
bonds (distance) P-C4' energy: -51.336
flat angles C4'-P-C4' energy: -41.591
flat angles P-C4'-P energy: -27.026
tors. eta vs tors. theta energy: -55.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -485.673146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.673146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.673146 (E_RNA)
where:
Base-Base interactions energy: -308.529
where: short stacking energy: -132.882
Base-Backbone interact. energy: 3.134
local terms energy: -180.278815
where:
bonds (distance) C4'-P energy: -44.687
bonds (distance) P-C4' energy: -44.057
flat angles C4'-P-C4' energy: -32.605
flat angles P-C4'-P energy: -33.724
tors. eta vs tors. theta energy: -25.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -307.569658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.569658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.569658 (E_RNA)
where:
Base-Base interactions energy: -143.892
where: short stacking energy: -81.584
Base-Backbone interact. energy: 0.224
local terms energy: -163.901024
where:
bonds (distance) C4'-P energy: -36.324
bonds (distance) P-C4' energy: -41.018
flat angles C4'-P-C4' energy: -57.528
flat angles P-C4'-P energy: -28.643
tors. eta vs tors. theta energy: -0.388
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: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -972.758399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.758399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.758399 (E_RNA)
where:
Base-Base interactions energy: -679.410
where: short stacking energy: -286.201
Base-Backbone interact. energy: -0.630
local terms energy: -292.718110
where:
bonds (distance) C4'-P energy: -58.477
bonds (distance) P-C4' energy: -49.750
flat angles C4'-P-C4' energy: -62.783
flat angles P-C4'-P energy: -40.280
tors. eta vs tors. theta energy: -81.427
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: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -927.061782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.061782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.061782 (E_RNA)
where:
Base-Base interactions energy: -646.257
where: short stacking energy: -267.283
Base-Backbone interact. energy: -0.086
local terms energy: -280.718723
where:
bonds (distance) C4'-P energy: -49.910
bonds (distance) P-C4' energy: -49.491
flat angles C4'-P-C4' energy: -57.987
flat angles P-C4'-P energy: -46.719
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: 3, replica: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -906.722510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.722510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.722510 (E_RNA)
where:
Base-Base interactions energy: -633.902
where: short stacking energy: -269.471
Base-Backbone interact. energy: 0.157
local terms energy: -272.977262
where:
bonds (distance) C4'-P energy: -45.265
bonds (distance) P-C4' energy: -52.814
flat angles C4'-P-C4' energy: -51.695
flat angles P-C4'-P energy: -39.598
tors. eta vs tors. theta energy: -83.606
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: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -847.309380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.309380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.309380 (E_RNA)
where:
Base-Base interactions energy: -588.502
where: short stacking energy: -251.021
Base-Backbone interact. energy: -0.467
local terms energy: -258.340675
where:
bonds (distance) C4'-P energy: -54.504
bonds (distance) P-C4' energy: -50.880
flat angles C4'-P-C4' energy: -53.264
flat angles P-C4'-P energy: -30.300
tors. eta vs tors. theta energy: -69.393
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: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -823.463380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.463380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.463380 (E_RNA)
where:
Base-Base interactions energy: -572.007
where: short stacking energy: -220.799
Base-Backbone interact. energy: 0.308
local terms energy: -251.763957
where:
bonds (distance) C4'-P energy: -48.712
bonds (distance) P-C4' energy: -50.059
flat angles C4'-P-C4' energy: -53.998
flat angles P-C4'-P energy: -38.418
tors. eta vs tors. theta energy: -60.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -794.109193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.109193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.109193 (E_RNA)
where:
Base-Base interactions energy: -553.910
where: short stacking energy: -238.014
Base-Backbone interact. energy: 0.741
local terms energy: -240.940555
where:
bonds (distance) C4'-P energy: -47.258
bonds (distance) P-C4' energy: -46.442
flat angles C4'-P-C4' energy: -51.481
flat angles P-C4'-P energy: -31.578
tors. eta vs tors. theta energy: -64.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -781.850087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.850087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.850087 (E_RNA)
where:
Base-Base interactions energy: -531.428
where: short stacking energy: -237.922
Base-Backbone interact. energy: -0.021
local terms energy: -250.401622
where:
bonds (distance) C4'-P energy: -49.440
bonds (distance) P-C4' energy: -49.863
flat angles C4'-P-C4' energy: -50.858
flat angles P-C4'-P energy: -30.110
tors. eta vs tors. theta energy: -70.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -672.120726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.120726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.120726 (E_RNA)
where:
Base-Base interactions energy: -460.788
where: short stacking energy: -195.629
Base-Backbone interact. energy: 0.410
local terms energy: -211.742054
where:
bonds (distance) C4'-P energy: -43.293
bonds (distance) P-C4' energy: -50.588
flat angles C4'-P-C4' energy: -42.447
flat angles P-C4'-P energy: -27.181
tors. eta vs tors. theta energy: -48.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -477.597414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.597414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.597414 (E_RNA)
where:
Base-Base interactions energy: -280.389
where: short stacking energy: -121.921
Base-Backbone interact. energy: 2.530
local terms energy: -199.737696
where:
bonds (distance) C4'-P energy: -52.374
bonds (distance) P-C4' energy: -56.907
flat angles C4'-P-C4' energy: -46.123
flat angles P-C4'-P energy: -19.650
tors. eta vs tors. theta energy: -24.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -351.642482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.642482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.642482 (E_RNA)
where:
Base-Base interactions energy: -200.848
where: short stacking energy: -105.230
Base-Backbone interact. energy: -1.315
local terms energy: -149.480229
where:
bonds (distance) C4'-P energy: -49.163
bonds (distance) P-C4' energy: -35.846
flat angles C4'-P-C4' energy: -38.338
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -11.190
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: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -969.154945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.154945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.154945 (E_RNA)
where:
Base-Base interactions energy: -668.217
where: short stacking energy: -291.208
Base-Backbone interact. energy: -1.000
local terms energy: -299.937291
where:
bonds (distance) C4'-P energy: -54.838
bonds (distance) P-C4' energy: -58.834
flat angles C4'-P-C4' energy: -60.213
flat angles P-C4'-P energy: -41.478
tors. eta vs tors. theta energy: -84.574
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: 2, replica: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -935.637629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.637629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.637629 (E_RNA)
where:
Base-Base interactions energy: -643.062
where: short stacking energy: -286.495
Base-Backbone interact. energy: -1.355
local terms energy: -291.220514
where:
bonds (distance) C4'-P energy: -53.208
bonds (distance) P-C4' energy: -53.702
flat angles C4'-P-C4' energy: -63.370
flat angles P-C4'-P energy: -34.303
tors. eta vs tors. theta energy: -86.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -912.690140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.690140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.690140 (E_RNA)
where:
Base-Base interactions energy: -643.458
where: short stacking energy: -254.703
Base-Backbone interact. energy: -1.171
local terms energy: -268.060363
where:
bonds (distance) C4'-P energy: -45.001
bonds (distance) P-C4' energy: -54.619
flat angles C4'-P-C4' energy: -59.252
flat angles P-C4'-P energy: -33.996
tors. eta vs tors. theta energy: -75.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -839.621553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.621553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.621553 (E_RNA)
where:
Base-Base interactions energy: -575.591
where: short stacking energy: -247.450
Base-Backbone interact. energy: -0.298
local terms energy: -263.732908
where:
bonds (distance) C4'-P energy: -53.057
bonds (distance) P-C4' energy: -51.048
flat angles C4'-P-C4' energy: -58.095
flat angles P-C4'-P energy: -37.993
tors. eta vs tors. theta energy: -63.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -828.486166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.486166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.486166 (E_RNA)
where:
Base-Base interactions energy: -570.458
where: short stacking energy: -240.354
Base-Backbone interact. energy: 0.137
local terms energy: -258.164850
where:
bonds (distance) C4'-P energy: -39.391
bonds (distance) P-C4' energy: -52.800
flat angles C4'-P-C4' energy: -57.350
flat angles P-C4'-P energy: -39.029
tors. eta vs tors. theta energy: -69.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -794.331496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.331496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.331496 (E_RNA)
where:
Base-Base interactions energy: -550.009
where: short stacking energy: -238.993
Base-Backbone interact. energy: 0.534
local terms energy: -244.856381
where:
bonds (distance) C4'-P energy: -46.035
bonds (distance) P-C4' energy: -40.975
flat angles C4'-P-C4' energy: -51.717
flat angles P-C4'-P energy: -40.127
tors. eta vs tors. theta energy: -66.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -752.678977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.678977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.678977 (E_RNA)
where:
Base-Base interactions energy: -504.597
where: short stacking energy: -224.385
Base-Backbone interact. energy: 0.003
local terms energy: -248.084308
where:
bonds (distance) C4'-P energy: -39.845
bonds (distance) P-C4' energy: -59.144
flat angles C4'-P-C4' energy: -50.717
flat angles P-C4'-P energy: -33.208
tors. eta vs tors. theta energy: -65.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -728.730648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.730648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.730648 (E_RNA)
where:
Base-Base interactions energy: -491.734
where: short stacking energy: -208.890
Base-Backbone interact. energy: 0.349
local terms energy: -237.346189
where:
bonds (distance) C4'-P energy: -41.201
bonds (distance) P-C4' energy: -45.586
flat angles C4'-P-C4' energy: -54.696
flat angles P-C4'-P energy: -38.364
tors. eta vs tors. theta energy: -57.499
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: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -475.881131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.881131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.881131 (E_RNA)
where:
Base-Base interactions energy: -289.073
where: short stacking energy: -127.018
Base-Backbone interact. energy: -2.868
local terms energy: -183.940366
where:
bonds (distance) C4'-P energy: -42.542
bonds (distance) P-C4' energy: -48.272
flat angles C4'-P-C4' energy: -31.417
flat angles P-C4'-P energy: -31.283
tors. eta vs tors. theta energy: -30.426
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: 89
Temperature: 1.350000
Total energy: -357.636810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.636810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.636810 (E_RNA)
where:
Base-Base interactions energy: -189.578
where: short stacking energy: -93.862
Base-Backbone interact. energy: 0.928
local terms energy: -168.986776
where:
bonds (distance) C4'-P energy: -49.377
bonds (distance) P-C4' energy: -40.893
flat angles C4'-P-C4' energy: -34.778
flat angles P-C4'-P energy: -26.084
tors. eta vs tors. theta energy: -17.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -957.456089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.456089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.456089 (E_RNA)
where:
Base-Base interactions energy: -670.639
where: short stacking energy: -293.798
Base-Backbone interact. energy: -1.108
local terms energy: -285.708517
where:
bonds (distance) C4'-P energy: -58.213
bonds (distance) P-C4' energy: -42.417
flat angles C4'-P-C4' energy: -56.572
flat angles P-C4'-P energy: -39.420
tors. eta vs tors. theta energy: -89.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -941.647674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.647674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.647674 (E_RNA)
where:
Base-Base interactions energy: -650.509
where: short stacking energy: -282.323
Base-Backbone interact. energy: -1.583
local terms energy: -289.555832
where:
bonds (distance) C4'-P energy: -54.301
bonds (distance) P-C4' energy: -60.212
flat angles C4'-P-C4' energy: -52.925
flat angles P-C4'-P energy: -40.456
tors. eta vs tors. theta energy: -81.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -911.613827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.613827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.613827 (E_RNA)
where:
Base-Base interactions energy: -639.894
where: short stacking energy: -261.844
Base-Backbone interact. energy: -0.563
local terms energy: -271.156613
where:
bonds (distance) C4'-P energy: -46.997
bonds (distance) P-C4' energy: -52.279
flat angles C4'-P-C4' energy: -63.210
flat angles P-C4'-P energy: -35.246
tors. eta vs tors. theta energy: -73.424
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: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -830.489022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.489022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.489022 (E_RNA)
where:
Base-Base interactions energy: -561.033
where: short stacking energy: -250.670
Base-Backbone interact. energy: -1.019
local terms energy: -268.436638
where:
bonds (distance) C4'-P energy: -50.539
bonds (distance) P-C4' energy: -48.752
flat angles C4'-P-C4' energy: -55.015
flat angles P-C4'-P energy: -46.693
tors. eta vs tors. theta energy: -67.438
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: 7
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -844.525491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.525491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.525491 (E_RNA)
where:
Base-Base interactions energy: -575.789
where: short stacking energy: -264.297
Base-Backbone interact. energy: 0.361
local terms energy: -269.096851
where:
bonds (distance) C4'-P energy: -53.606
bonds (distance) P-C4' energy: -51.040
flat angles C4'-P-C4' energy: -55.450
flat angles P-C4'-P energy: -36.805
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: 6, replica: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -795.289712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.289712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.289712 (E_RNA)
where:
Base-Base interactions energy: -541.977
where: short stacking energy: -245.275
Base-Backbone interact. energy: -0.273
local terms energy: -253.039551
where:
bonds (distance) C4'-P energy: -46.524
bonds (distance) P-C4' energy: -44.792
flat angles C4'-P-C4' energy: -49.948
flat angles P-C4'-P energy: -37.244
tors. eta vs tors. theta energy: -74.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -796.551113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.551113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.551113 (E_RNA)
where:
Base-Base interactions energy: -541.270
where: short stacking energy: -242.400
Base-Backbone interact. energy: -1.584
local terms energy: -253.697095
where:
bonds (distance) C4'-P energy: -48.018
bonds (distance) P-C4' energy: -48.509
flat angles C4'-P-C4' energy: -49.189
flat angles P-C4'-P energy: -36.700
tors. eta vs tors. theta energy: -71.282
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: 6
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -689.658999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.658999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.658999 (E_RNA)
where:
Base-Base interactions energy: -469.510
where: short stacking energy: -195.273
Base-Backbone interact. energy: -0.616
local terms energy: -219.532859
where:
bonds (distance) C4'-P energy: -39.244
bonds (distance) P-C4' energy: -49.401
flat angles C4'-P-C4' energy: -53.750
flat angles P-C4'-P energy: -33.614
tors. eta vs tors. theta energy: -43.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -474.839909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.839909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.839909 (E_RNA)
where:
Base-Base interactions energy: -282.352
where: short stacking energy: -133.973
Base-Backbone interact. energy: 0.233
local terms energy: -192.720774
where:
bonds (distance) C4'-P energy: -45.279
bonds (distance) P-C4' energy: -48.782
flat angles C4'-P-C4' energy: -46.571
flat angles P-C4'-P energy: -26.330
tors. eta vs tors. theta energy: -25.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -347.017915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.017915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.017915 (E_RNA)
where:
Base-Base interactions energy: -170.479
where: short stacking energy: -93.393
Base-Backbone interact. energy: -0.754
local terms energy: -175.784841
where:
bonds (distance) C4'-P energy: -42.251
bonds (distance) P-C4' energy: -43.859
flat angles C4'-P-C4' energy: -47.004
flat angles P-C4'-P energy: -32.128
tors. eta vs tors. theta energy: -10.543
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: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -955.101891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.101891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.101891 (E_RNA)
where:
Base-Base interactions energy: -671.173
where: short stacking energy: -299.967
Base-Backbone interact. energy: -0.913
local terms energy: -283.015465
where:
bonds (distance) C4'-P energy: -47.877
bonds (distance) P-C4' energy: -45.110
flat angles C4'-P-C4' energy: -61.225
flat angles P-C4'-P energy: -40.358
tors. eta vs tors. theta energy: -88.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -928.052554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.052554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.052554 (E_RNA)
where:
Base-Base interactions energy: -648.931
where: short stacking energy: -281.292
Base-Backbone interact. energy: -0.981
local terms energy: -278.140624
where:
bonds (distance) C4'-P energy: -44.625
bonds (distance) P-C4' energy: -56.157
flat angles C4'-P-C4' energy: -57.270
flat angles P-C4'-P energy: -34.974
tors. eta vs tors. theta energy: -85.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -899.997036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.997036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.997036 (E_RNA)
where:
Base-Base interactions energy: -631.965
where: short stacking energy: -263.873
Base-Backbone interact. energy: -0.363
local terms energy: -267.669073
where:
bonds (distance) C4'-P energy: -45.072
bonds (distance) P-C4' energy: -58.023
flat angles C4'-P-C4' energy: -50.357
flat angles P-C4'-P energy: -40.163
tors. eta vs tors. theta energy: -74.054
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: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -842.657323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.657323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.657323 (E_RNA)
where:
Base-Base interactions energy: -575.197
where: short stacking energy: -242.271
Base-Backbone interact. energy: -1.140
local terms energy: -266.320219
where:
bonds (distance) C4'-P energy: -51.776
bonds (distance) P-C4' energy: -45.549
flat angles C4'-P-C4' energy: -51.297
flat angles P-C4'-P energy: -42.652
tors. eta vs tors. theta energy: -75.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -820.030374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.030374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.030374 (E_RNA)
where:
Base-Base interactions energy: -581.411
where: short stacking energy: -255.643
Base-Backbone interact. energy: -0.490
local terms energy: -238.129249
where:
bonds (distance) C4'-P energy: -48.084
bonds (distance) P-C4' energy: -40.893
flat angles C4'-P-C4' energy: -48.832
flat angles P-C4'-P energy: -37.064
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: 6, replica: 3
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -797.314141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.314141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.314141 (E_RNA)
where:
Base-Base interactions energy: -551.689
where: short stacking energy: -236.742
Base-Backbone interact. energy: -0.800
local terms energy: -244.824365
where:
bonds (distance) C4'-P energy: -49.055
bonds (distance) P-C4' energy: -38.699
flat angles C4'-P-C4' energy: -58.751
flat angles P-C4'-P energy: -35.322
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: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -759.104431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.104431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.104431 (E_RNA)
where:
Base-Base interactions energy: -526.284
where: short stacking energy: -232.915
Base-Backbone interact. energy: -0.707
local terms energy: -232.114275
where:
bonds (distance) C4'-P energy: -41.657
bonds (distance) P-C4' energy: -34.194
flat angles C4'-P-C4' energy: -52.412
flat angles P-C4'-P energy: -34.743
tors. eta vs tors. theta energy: -69.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -705.917830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.917830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.917830 (E_RNA)
where:
Base-Base interactions energy: -494.157
where: short stacking energy: -217.891
Base-Backbone interact. energy: -0.428
local terms energy: -211.332530
where:
bonds (distance) C4'-P energy: -41.675
bonds (distance) P-C4' energy: -37.245
flat angles C4'-P-C4' energy: -49.400
flat angles P-C4'-P energy: -31.181
tors. eta vs tors. theta energy: -51.831
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: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -446.487165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.487165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.487165 (E_RNA)
where:
Base-Base interactions energy: -276.756
where: short stacking energy: -136.341
Base-Backbone interact. energy: 0.113
local terms energy: -169.844055
where:
bonds (distance) C4'-P energy: -37.458
bonds (distance) P-C4' energy: -42.835
flat angles C4'-P-C4' energy: -31.117
flat angles P-C4'-P energy: -39.937
tors. eta vs tors. theta energy: -18.497
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: 91
Temperature: 1.350000
Total energy: -350.505785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.505785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.505785 (E_RNA)
where:
Base-Base interactions energy: -180.485
where: short stacking energy: -104.286
Base-Backbone interact. energy: 1.207
local terms energy: -171.227551
where:
bonds (distance) C4'-P energy: -46.017
bonds (distance) P-C4' energy: -51.402
flat angles C4'-P-C4' energy: -49.569
flat angles P-C4'-P energy: -24.374
tors. eta vs tors. theta energy: 0.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -941.381508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.381508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.381508 (E_RNA)
where:
Base-Base interactions energy: -665.442
where: short stacking energy: -277.813
Base-Backbone interact. energy: -1.223
local terms energy: -274.716610
where:
bonds (distance) C4'-P energy: -55.780
bonds (distance) P-C4' energy: -51.074
flat angles C4'-P-C4' energy: -45.810
flat angles P-C4'-P energy: -39.723
tors. eta vs tors. theta energy: -82.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -929.646336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.646336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.646336 (E_RNA)
where:
Base-Base interactions energy: -656.503
where: short stacking energy: -280.872
Base-Backbone interact. energy: -0.941
local terms energy: -272.201889
where:
bonds (distance) C4'-P energy: -47.457
bonds (distance) P-C4' energy: -53.438
flat angles C4'-P-C4' energy: -56.096
flat angles P-C4'-P energy: -37.766
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: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -911.866677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.866677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.866677 (E_RNA)
where:
Base-Base interactions energy: -651.034
where: short stacking energy: -261.480
Base-Backbone interact. energy: -1.392
local terms energy: -259.440364
where:
bonds (distance) C4'-P energy: -50.305
bonds (distance) P-C4' energy: -38.878
flat angles C4'-P-C4' energy: -56.718
flat angles P-C4'-P energy: -33.671
tors. eta vs tors. theta energy: -79.870
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: 7
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -850.292760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.292760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.292760 (E_RNA)
where:
Base-Base interactions energy: -572.977
where: short stacking energy: -252.026
Base-Backbone interact. energy: -0.596
local terms energy: -276.720004
where:
bonds (distance) C4'-P energy: -55.535
bonds (distance) P-C4' energy: -56.197
flat angles C4'-P-C4' energy: -55.838
flat angles P-C4'-P energy: -41.526
tors. eta vs tors. theta energy: -67.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -815.716914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.716914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.716914 (E_RNA)
where:
Base-Base interactions energy: -560.490
where: short stacking energy: -236.471
Base-Backbone interact. energy: -0.945
local terms energy: -254.282131
where:
bonds (distance) C4'-P energy: -40.678
bonds (distance) P-C4' energy: -46.508
flat angles C4'-P-C4' energy: -50.080
flat angles P-C4'-P energy: -38.892
tors. eta vs tors. theta energy: -78.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -770.221018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.221018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.221018 (E_RNA)
where:
Base-Base interactions energy: -513.341
where: short stacking energy: -211.842
Base-Backbone interact. energy: -1.026
local terms energy: -255.853772
where:
bonds (distance) C4'-P energy: -52.113
bonds (distance) P-C4' energy: -61.868
flat angles C4'-P-C4' energy: -51.671
flat angles P-C4'-P energy: -34.812
tors. eta vs tors. theta energy: -55.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -681.285097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.285097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.285097 (E_RNA)
where:
Base-Base interactions energy: -478.385
where: short stacking energy: -192.214
Base-Backbone interact. energy: 0.539
local terms energy: -203.438994
where:
bonds (distance) C4'-P energy: -48.384
bonds (distance) P-C4' energy: -47.557
flat angles C4'-P-C4' energy: -38.008
flat angles P-C4'-P energy: -24.452
tors. eta vs tors. theta energy: -45.038
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: 8, replica: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -746.853214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.853214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.853214 (E_RNA)
where:
Base-Base interactions energy: -501.727
where: short stacking energy: -207.839
Base-Backbone interact. energy: -0.709
local terms energy: -244.417376
where:
bonds (distance) C4'-P energy: -51.175
bonds (distance) P-C4' energy: -47.106
flat angles C4'-P-C4' energy: -53.329
flat angles P-C4'-P energy: -30.623
tors. eta vs tors. theta energy: -62.185
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: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -447.565725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.565725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.565725 (E_RNA)
where:
Base-Base interactions energy: -262.302
where: short stacking energy: -134.312
Base-Backbone interact. energy: 0.627
local terms energy: -185.890795
where:
bonds (distance) C4'-P energy: -39.750
bonds (distance) P-C4' energy: -43.426
flat angles C4'-P-C4' energy: -51.228
flat angles P-C4'-P energy: -27.161
tors. eta vs tors. theta energy: -24.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -357.612066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.612066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.612066 (E_RNA)
where:
Base-Base interactions energy: -196.492
where: short stacking energy: -93.797
Base-Backbone interact. energy: -0.753
local terms energy: -160.366677
where:
bonds (distance) C4'-P energy: -47.684
bonds (distance) P-C4' energy: -51.021
flat angles C4'-P-C4' energy: -36.980
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -10.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -955.583999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.583999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.583999 (E_RNA)
where:
Base-Base interactions energy: -646.014
where: short stacking energy: -287.939
Base-Backbone interact. energy: -2.945
local terms energy: -306.625292
where:
bonds (distance) C4'-P energy: -57.626
bonds (distance) P-C4' energy: -55.920
flat angles C4'-P-C4' energy: -64.358
flat angles P-C4'-P energy: -46.157
tors. eta vs tors. theta energy: -82.564
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: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -914.690036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.690036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.690036 (E_RNA)
where:
Base-Base interactions energy: -630.169
where: short stacking energy: -276.935
Base-Backbone interact. energy: -0.821
local terms energy: -283.700317
where:
bonds (distance) C4'-P energy: -52.387
bonds (distance) P-C4' energy: -48.001
flat angles C4'-P-C4' energy: -59.525
flat angles P-C4'-P energy: -40.087
tors. eta vs tors. theta energy: -83.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -913.779216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.779216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.779216 (E_RNA)
where:
Base-Base interactions energy: -637.746
where: short stacking energy: -259.514
Base-Backbone interact. energy: 0.179
local terms energy: -276.211964
where:
bonds (distance) C4'-P energy: -44.519
bonds (distance) P-C4' energy: -50.770
flat angles C4'-P-C4' energy: -63.393
flat angles P-C4'-P energy: -44.063
tors. eta vs tors. theta energy: -73.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -841.485990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.485990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.485990 (E_RNA)
where:
Base-Base interactions energy: -585.773
where: short stacking energy: -239.880
Base-Backbone interact. energy: -0.896
local terms energy: -254.817016
where:
bonds (distance) C4'-P energy: -41.670
bonds (distance) P-C4' energy: -49.692
flat angles C4'-P-C4' energy: -50.954
flat angles P-C4'-P energy: -36.558
tors. eta vs tors. theta energy: -75.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -829.381771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.381771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.381771 (E_RNA)
where:
Base-Base interactions energy: -577.943
where: short stacking energy: -241.651
Base-Backbone interact. energy: 0.486
local terms energy: -251.924796
where:
bonds (distance) C4'-P energy: -41.568
bonds (distance) P-C4' energy: -49.350
flat angles C4'-P-C4' energy: -55.281
flat angles P-C4'-P energy: -38.565
tors. eta vs tors. theta energy: -67.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -776.179567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.179567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.179567 (E_RNA)
where:
Base-Base interactions energy: -547.539
where: short stacking energy: -219.542
Base-Backbone interact. energy: 1.320
local terms energy: -229.961179
where:
bonds (distance) C4'-P energy: -43.163
bonds (distance) P-C4' energy: -42.826
flat angles C4'-P-C4' energy: -47.202
flat angles P-C4'-P energy: -32.156
tors. eta vs tors. theta energy: -64.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -740.884745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.884745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.884745 (E_RNA)
where:
Base-Base interactions energy: -512.724
where: short stacking energy: -233.965
Base-Backbone interact. energy: 0.877
local terms energy: -229.037855
where:
bonds (distance) C4'-P energy: -42.569
bonds (distance) P-C4' energy: -36.807
flat angles C4'-P-C4' energy: -52.793
flat angles P-C4'-P energy: -33.254
tors. eta vs tors. theta energy: -63.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -740.678492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.678492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.678492 (E_RNA)
where:
Base-Base interactions energy: -516.874
where: short stacking energy: -217.376
Base-Backbone interact. energy: -0.369
local terms energy: -223.435781
where:
bonds (distance) C4'-P energy: -43.210
bonds (distance) P-C4' energy: -50.971
flat angles C4'-P-C4' energy: -46.905
flat angles P-C4'-P energy: -27.564
tors. eta vs tors. theta energy: -54.786
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: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -439.821935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.821935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.821935 (E_RNA)
where:
Base-Base interactions energy: -278.841
where: short stacking energy: -128.860
Base-Backbone interact. energy: -0.764
local terms energy: -160.217457
where:
bonds (distance) C4'-P energy: -26.841
bonds (distance) P-C4' energy: -36.980
flat angles C4'-P-C4' energy: -47.931
flat angles P-C4'-P energy: -27.521
tors. eta vs tors. theta energy: -20.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -338.603778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.603778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.603778 (E_RNA)
where:
Base-Base interactions energy: -179.191
where: short stacking energy: -100.000
Base-Backbone interact. energy: 0.858
local terms energy: -160.271044
where:
bonds (distance) C4'-P energy: -39.474
bonds (distance) P-C4' energy: -49.114
flat angles C4'-P-C4' energy: -35.715
flat angles P-C4'-P energy: -20.607
tors. eta vs tors. theta energy: -15.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -950.069781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.069781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.069781 (E_RNA)
where:
Base-Base interactions energy: -655.771
where: short stacking energy: -290.523
Base-Backbone interact. energy: -1.670
local terms energy: -292.628742
where:
bonds (distance) C4'-P energy: -49.299
bonds (distance) P-C4' energy: -52.271
flat angles C4'-P-C4' energy: -59.201
flat angles P-C4'-P energy: -41.105
tors. eta vs tors. theta energy: -90.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -933.336526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.336526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.336526 (E_RNA)
where:
Base-Base interactions energy: -654.252
where: short stacking energy: -292.074
Base-Backbone interact. energy: 0.257
local terms energy: -279.341789
where:
bonds (distance) C4'-P energy: -41.494
bonds (distance) P-C4' energy: -51.545
flat angles C4'-P-C4' energy: -61.169
flat angles P-C4'-P energy: -40.526
tors. eta vs tors. theta energy: -84.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -896.729135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.729135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.729135 (E_RNA)
where:
Base-Base interactions energy: -634.245
where: short stacking energy: -276.152
Base-Backbone interact. energy: -0.131
local terms energy: -262.352520
where:
bonds (distance) C4'-P energy: -40.836
bonds (distance) P-C4' energy: -48.360
flat angles C4'-P-C4' energy: -57.816
flat angles P-C4'-P energy: -40.192
tors. eta vs tors. theta energy: -75.149
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: 4, replica: 7
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -839.884201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.884201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.884201 (E_RNA)
where:
Base-Base interactions energy: -586.895
where: short stacking energy: -256.724
Base-Backbone interact. energy: -0.754
local terms energy: -252.235292
where:
bonds (distance) C4'-P energy: -37.447
bonds (distance) P-C4' energy: -55.318
flat angles C4'-P-C4' energy: -57.938
flat angles P-C4'-P energy: -31.492
tors. eta vs tors. theta energy: -70.040
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: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -835.307077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.307077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.307077 (E_RNA)
where:
Base-Base interactions energy: -563.823
where: short stacking energy: -242.725
Base-Backbone interact. energy: -0.758
local terms energy: -270.726049
where:
bonds (distance) C4'-P energy: -50.684
bonds (distance) P-C4' energy: -56.266
flat angles C4'-P-C4' energy: -55.613
flat angles P-C4'-P energy: -39.527
tors. eta vs tors. theta energy: -68.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -787.305659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.305659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.305659 (E_RNA)
where:
Base-Base interactions energy: -534.639
where: short stacking energy: -217.292
Base-Backbone interact. energy: -0.815
local terms energy: -251.852139
where:
bonds (distance) C4'-P energy: -46.007
bonds (distance) P-C4' energy: -54.794
flat angles C4'-P-C4' energy: -49.771
flat angles P-C4'-P energy: -38.568
tors. eta vs tors. theta energy: -62.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -795.171234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.171234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.171234 (E_RNA)
where:
Base-Base interactions energy: -560.883
where: short stacking energy: -240.962
Base-Backbone interact. energy: 11.304
local terms energy: -245.592678
where:
bonds (distance) C4'-P energy: -34.520
bonds (distance) P-C4' energy: -50.627
flat angles C4'-P-C4' energy: -59.055
flat angles P-C4'-P energy: -36.989
tors. eta vs tors. theta energy: -64.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -711.874107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.874107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.874107 (E_RNA)
where:
Base-Base interactions energy: -478.760
where: short stacking energy: -205.390
Base-Backbone interact. energy: 0.328
local terms energy: -233.441609
where:
bonds (distance) C4'-P energy: -40.652
bonds (distance) P-C4' energy: -48.865
flat angles C4'-P-C4' energy: -48.699
flat angles P-C4'-P energy: -26.433
tors. eta vs tors. theta energy: -68.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -433.611308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.611308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.611308 (E_RNA)
where:
Base-Base interactions energy: -240.533
where: short stacking energy: -117.796
Base-Backbone interact. energy: -0.218
local terms energy: -192.860266
where:
bonds (distance) C4'-P energy: -52.065
bonds (distance) P-C4' energy: -44.741
flat angles C4'-P-C4' energy: -38.883
flat angles P-C4'-P energy: -34.862
tors. eta vs tors. theta energy: -22.309
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: 94
Temperature: 1.350000
Total energy: -313.226999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.226999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.226999 (E_RNA)
where:
Base-Base interactions energy: -144.834
where: short stacking energy: -76.077
Base-Backbone interact. energy: -0.719
local terms energy: -167.674115
where:
bonds (distance) C4'-P energy: -42.342
bonds (distance) P-C4' energy: -53.508
flat angles C4'-P-C4' energy: -43.446
flat angles P-C4'-P energy: -24.902
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -958.117322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.117322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.117322 (E_RNA)
where:
Base-Base interactions energy: -659.234
where: short stacking energy: -291.502
Base-Backbone interact. energy: -0.604
local terms energy: -298.279330
where:
bonds (distance) C4'-P energy: -55.407
bonds (distance) P-C4' energy: -56.986
flat angles C4'-P-C4' energy: -61.930
flat angles P-C4'-P energy: -43.703
tors. eta vs tors. theta energy: -80.253
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: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -917.996111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.996111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.996111 (E_RNA)
where:
Base-Base interactions energy: -640.608
where: short stacking energy: -276.213
Base-Backbone interact. energy: -0.152
local terms energy: -277.236091
where:
bonds (distance) C4'-P energy: -52.496
bonds (distance) P-C4' energy: -50.057
flat angles C4'-P-C4' energy: -54.808
flat angles P-C4'-P energy: -41.669
tors. eta vs tors. theta energy: -78.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -897.517245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.517245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.517245 (E_RNA)
where:
Base-Base interactions energy: -641.467
where: short stacking energy: -275.092
Base-Backbone interact. energy: -0.429
local terms energy: -255.620453
where:
bonds (distance) C4'-P energy: -46.544
bonds (distance) P-C4' energy: -45.888
flat angles C4'-P-C4' energy: -52.441
flat angles P-C4'-P energy: -40.469
tors. eta vs tors. theta energy: -70.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -826.661517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.661517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.661517 (E_RNA)
where:
Base-Base interactions energy: -560.279
where: short stacking energy: -263.020
Base-Backbone interact. energy: 0.554
local terms energy: -266.936248
where:
bonds (distance) C4'-P energy: -47.728
bonds (distance) P-C4' energy: -52.595
flat angles C4'-P-C4' energy: -58.781
flat angles P-C4'-P energy: -36.258
tors. eta vs tors. theta energy: -71.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -820.333482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.333482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.333482 (E_RNA)
where:
Base-Base interactions energy: -550.344
where: short stacking energy: -224.997
Base-Backbone interact. energy: -1.197
local terms energy: -268.792308
where:
bonds (distance) C4'-P energy: -54.536
bonds (distance) P-C4' energy: -47.739
flat angles C4'-P-C4' energy: -61.826
flat angles P-C4'-P energy: -36.421
tors. eta vs tors. theta energy: -68.270
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: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -803.841612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.841612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.841612 (E_RNA)
where:
Base-Base interactions energy: -540.761
where: short stacking energy: -238.784
Base-Backbone interact. energy: -0.572
local terms energy: -262.508662
where:
bonds (distance) C4'-P energy: -54.157
bonds (distance) P-C4' energy: -45.452
flat angles C4'-P-C4' energy: -50.323
flat angles P-C4'-P energy: -45.456
tors. eta vs tors. theta energy: -67.121
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: 2
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -800.849491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.849491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.849491 (E_RNA)
where:
Base-Base interactions energy: -543.982
where: short stacking energy: -231.134
Base-Backbone interact. energy: 0.249
local terms energy: -257.116511
where:
bonds (distance) C4'-P energy: -53.207
bonds (distance) P-C4' energy: -44.210
flat angles C4'-P-C4' energy: -54.969
flat angles P-C4'-P energy: -35.153
tors. eta vs tors. theta energy: -69.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -689.474560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.474560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.474560 (E_RNA)
where:
Base-Base interactions energy: -494.435
where: short stacking energy: -189.831
Base-Backbone interact. energy: -2.267
local terms energy: -192.772820
where:
bonds (distance) C4'-P energy: -38.606
bonds (distance) P-C4' energy: -30.565
flat angles C4'-P-C4' energy: -45.796
flat angles P-C4'-P energy: -32.279
tors. eta vs tors. theta energy: -45.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -449.816982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.816982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.816982 (E_RNA)
where:
Base-Base interactions energy: -266.631
where: short stacking energy: -118.879
Base-Backbone interact. energy: 1.178
local terms energy: -184.364396
where:
bonds (distance) C4'-P energy: -45.702
bonds (distance) P-C4' energy: -47.342
flat angles C4'-P-C4' energy: -47.471
flat angles P-C4'-P energy: -29.867
tors. eta vs tors. theta energy: -13.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -263.494413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.494413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.494413 (E_RNA)
where:
Base-Base interactions energy: -116.938
where: short stacking energy: -62.725
Base-Backbone interact. energy: -0.004
local terms energy: -146.552938
where:
bonds (distance) C4'-P energy: -49.162
bonds (distance) P-C4' energy: -41.477
flat angles C4'-P-C4' energy: -46.171
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: 8.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -945.084251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.084251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.084251 (E_RNA)
where:
Base-Base interactions energy: -652.203
where: short stacking energy: -280.207
Base-Backbone interact. energy: -0.930
local terms energy: -291.951616
where:
bonds (distance) C4'-P energy: -56.610
bonds (distance) P-C4' energy: -57.894
flat angles C4'-P-C4' energy: -56.094
flat angles P-C4'-P energy: -41.820
tors. eta vs tors. theta energy: -79.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -894.590260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.590260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.590260 (E_RNA)
where:
Base-Base interactions energy: -616.330
where: short stacking energy: -260.045
Base-Backbone interact. energy: -1.766
local terms energy: -276.494454
where:
bonds (distance) C4'-P energy: -52.946
bonds (distance) P-C4' energy: -55.158
flat angles C4'-P-C4' energy: -60.181
flat angles P-C4'-P energy: -37.206
tors. eta vs tors. theta energy: -71.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -924.837313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.837313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.837313 (E_RNA)
where:
Base-Base interactions energy: -640.057
where: short stacking energy: -273.337
Base-Backbone interact. energy: -1.195
local terms energy: -283.584917
where:
bonds (distance) C4'-P energy: -55.528
bonds (distance) P-C4' energy: -58.325
flat angles C4'-P-C4' energy: -58.935
flat angles P-C4'-P energy: -37.124
tors. eta vs tors. theta energy: -73.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -842.266089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.266089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.266089 (E_RNA)
where:
Base-Base interactions energy: -590.744
where: short stacking energy: -249.471
Base-Backbone interact. energy: 2.698
local terms energy: -254.220835
where:
bonds (distance) C4'-P energy: -38.273
bonds (distance) P-C4' energy: -43.383
flat angles C4'-P-C4' energy: -57.044
flat angles P-C4'-P energy: -47.013
tors. eta vs tors. theta energy: -68.508
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: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -815.507369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.507369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.507369 (E_RNA)
where:
Base-Base interactions energy: -564.293
where: short stacking energy: -242.162
Base-Backbone interact. energy: 1.083
local terms energy: -252.297591
where:
bonds (distance) C4'-P energy: -46.122
bonds (distance) P-C4' energy: -49.127
flat angles C4'-P-C4' energy: -58.113
flat angles P-C4'-P energy: -29.032
tors. eta vs tors. theta energy: -69.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -820.522929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.522929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.522929 (E_RNA)
where:
Base-Base interactions energy: -571.742
where: short stacking energy: -232.738
Base-Backbone interact. energy: -0.915
local terms energy: -247.865775
where:
bonds (distance) C4'-P energy: -48.186
bonds (distance) P-C4' energy: -49.622
flat angles C4'-P-C4' energy: -54.258
flat angles P-C4'-P energy: -34.368
tors. eta vs tors. theta energy: -61.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -810.923742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.923742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.923742 (E_RNA)
where:
Base-Base interactions energy: -561.481
where: short stacking energy: -227.721
Base-Backbone interact. energy: -0.077
local terms energy: -249.366343
where:
bonds (distance) C4'-P energy: -40.010
bonds (distance) P-C4' energy: -43.390
flat angles C4'-P-C4' energy: -59.955
flat angles P-C4'-P energy: -35.044
tors. eta vs tors. theta energy: -70.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -692.625908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.625908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.625908 (E_RNA)
where:
Base-Base interactions energy: -474.619
where: short stacking energy: -185.562
Base-Backbone interact. energy: 0.196
local terms energy: -218.203027
where:
bonds (distance) C4'-P energy: -42.906
bonds (distance) P-C4' energy: -47.229
flat angles C4'-P-C4' energy: -47.191
flat angles P-C4'-P energy: -36.327
tors. eta vs tors. theta energy: -44.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -423.692408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.692408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.692408 (E_RNA)
where:
Base-Base interactions energy: -278.810
where: short stacking energy: -108.870
Base-Backbone interact. energy: 0.238
local terms energy: -145.121160
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -38.641
flat angles C4'-P-C4' energy: -28.969
flat angles P-C4'-P energy: -40.826
tors. eta vs tors. theta energy: -13.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -329.747710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.747710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.747710 (E_RNA)
where:
Base-Base interactions energy: -185.235
where: short stacking energy: -103.694
Base-Backbone interact. energy: -0.857
local terms energy: -143.655481
where:
bonds (distance) C4'-P energy: -34.800
bonds (distance) P-C4' energy: -44.218
flat angles C4'-P-C4' energy: -35.487
flat angles P-C4'-P energy: -22.266
tors. eta vs tors. theta energy: -6.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -967.660896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.660896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.660896 (E_RNA)
where:
Base-Base interactions energy: -668.672
where: short stacking energy: -295.557
Base-Backbone interact. energy: -0.957
local terms energy: -298.032139
where:
bonds (distance) C4'-P energy: -52.999
bonds (distance) P-C4' energy: -49.904
flat angles C4'-P-C4' energy: -60.869
flat angles P-C4'-P energy: -46.172
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: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -897.371251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.371251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.371251 (E_RNA)
where:
Base-Base interactions energy: -608.367
where: short stacking energy: -255.907
Base-Backbone interact. energy: -0.987
local terms energy: -288.016668
where:
bonds (distance) C4'-P energy: -58.049
bonds (distance) P-C4' energy: -54.928
flat angles C4'-P-C4' energy: -60.447
flat angles P-C4'-P energy: -41.595
tors. eta vs tors. theta energy: -72.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -915.488898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.488898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.488898 (E_RNA)
where:
Base-Base interactions energy: -636.297
where: short stacking energy: -266.562
Base-Backbone interact. energy: -1.075
local terms energy: -278.117715
where:
bonds (distance) C4'-P energy: -46.776
bonds (distance) P-C4' energy: -62.475
flat angles C4'-P-C4' energy: -55.421
flat angles P-C4'-P energy: -39.304
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: 4, replica: 3
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -849.243707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.243707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.243707 (E_RNA)
where:
Base-Base interactions energy: -562.282
where: short stacking energy: -268.589
Base-Backbone interact. energy: -0.269
local terms energy: -286.692537
where:
bonds (distance) C4'-P energy: -46.339
bonds (distance) P-C4' energy: -60.658
flat angles C4'-P-C4' energy: -61.220
flat angles P-C4'-P energy: -40.651
tors. eta vs tors. theta energy: -77.824
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: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -826.963563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.963563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.963563 (E_RNA)
where:
Base-Base interactions energy: -563.113
where: short stacking energy: -247.759
Base-Backbone interact. energy: -0.034
local terms energy: -263.816746
where:
bonds (distance) C4'-P energy: -52.489
bonds (distance) P-C4' energy: -53.021
flat angles C4'-P-C4' energy: -52.477
flat angles P-C4'-P energy: -33.506
tors. eta vs tors. theta energy: -72.323
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: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -808.675060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.675060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.675060 (E_RNA)
where:
Base-Base interactions energy: -560.640
where: short stacking energy: -229.133
Base-Backbone interact. energy: -1.199
local terms energy: -246.836445
where:
bonds (distance) C4'-P energy: -44.647
bonds (distance) P-C4' energy: -40.122
flat angles C4'-P-C4' energy: -59.654
flat angles P-C4'-P energy: -34.403
tors. eta vs tors. theta energy: -68.010
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: 2
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -792.514200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.514200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.514200 (E_RNA)
where:
Base-Base interactions energy: -546.497
where: short stacking energy: -238.460
Base-Backbone interact. energy: 0.171
local terms energy: -246.188284
where:
bonds (distance) C4'-P energy: -41.949
bonds (distance) P-C4' energy: -42.733
flat angles C4'-P-C4' energy: -56.606
flat angles P-C4'-P energy: -34.057
tors. eta vs tors. theta energy: -70.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -682.311553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.311553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.311553 (E_RNA)
where:
Base-Base interactions energy: -467.170
where: short stacking energy: -188.010
Base-Backbone interact. energy: -1.750
local terms energy: -213.390948
where:
bonds (distance) C4'-P energy: -46.861
bonds (distance) P-C4' energy: -48.214
flat angles C4'-P-C4' energy: -44.156
flat angles P-C4'-P energy: -23.853
tors. eta vs tors. theta energy: -50.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -426.047546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.047546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.047546 (E_RNA)
where:
Base-Base interactions energy: -257.569
where: short stacking energy: -133.530
Base-Backbone interact. energy: 2.171
local terms energy: -170.649470
where:
bonds (distance) C4'-P energy: -44.888
bonds (distance) P-C4' energy: -41.545
flat angles C4'-P-C4' energy: -34.258
flat angles P-C4'-P energy: -32.171
tors. eta vs tors. theta energy: -17.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -345.028912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.028912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.028912 (E_RNA)
where:
Base-Base interactions energy: -192.275
where: short stacking energy: -98.840
Base-Backbone interact. energy: 0.769
local terms energy: -153.523308
where:
bonds (distance) C4'-P energy: -35.281
bonds (distance) P-C4' energy: -46.440
flat angles C4'-P-C4' energy: -28.957
flat angles P-C4'-P energy: -28.642
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: 1, replica: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -943.275100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.275100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.275100 (E_RNA)
where:
Base-Base interactions energy: -651.128
where: short stacking energy: -279.657
Base-Backbone interact. energy: -0.533
local terms energy: -291.614471
where:
bonds (distance) C4'-P energy: -55.930
bonds (distance) P-C4' energy: -56.338
flat angles C4'-P-C4' energy: -54.881
flat angles P-C4'-P energy: -39.387
tors. eta vs tors. theta energy: -85.079
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: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -901.410821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.410821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.410821 (E_RNA)
where:
Base-Base interactions energy: -617.819
where: short stacking energy: -286.204
Base-Backbone interact. energy: -1.172
local terms energy: -282.420164
where:
bonds (distance) C4'-P energy: -48.502
bonds (distance) P-C4' energy: -58.703
flat angles C4'-P-C4' energy: -56.086
flat angles P-C4'-P energy: -41.153
tors. eta vs tors. theta energy: -77.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -894.995402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.995402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.995402 (E_RNA)
where:
Base-Base interactions energy: -633.770
where: short stacking energy: -272.037
Base-Backbone interact. energy: 0.940
local terms energy: -262.165787
where:
bonds (distance) C4'-P energy: -44.966
bonds (distance) P-C4' energy: -48.485
flat angles C4'-P-C4' energy: -51.310
flat angles P-C4'-P energy: -39.787
tors. eta vs tors. theta energy: -77.618
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: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -842.467956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.467956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.467956 (E_RNA)
where:
Base-Base interactions energy: -577.032
where: short stacking energy: -261.799
Base-Backbone interact. energy: -0.727
local terms energy: -264.708425
where:
bonds (distance) C4'-P energy: -46.908
bonds (distance) P-C4' energy: -49.482
flat angles C4'-P-C4' energy: -53.871
flat angles P-C4'-P energy: -40.737
tors. eta vs tors. theta energy: -73.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -817.357822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.357822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.357822 (E_RNA)
where:
Base-Base interactions energy: -569.583
where: short stacking energy: -236.273
Base-Backbone interact. energy: -2.068
local terms energy: -245.706379
where:
bonds (distance) C4'-P energy: -38.847
bonds (distance) P-C4' energy: -55.249
flat angles C4'-P-C4' energy: -52.790
flat angles P-C4'-P energy: -32.964
tors. eta vs tors. theta energy: -65.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -802.980053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.980053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.980053 (E_RNA)
where:
Base-Base interactions energy: -554.338
where: short stacking energy: -251.474
Base-Backbone interact. energy: 0.601
local terms energy: -249.242948
where:
bonds (distance) C4'-P energy: -39.026
bonds (distance) P-C4' energy: -45.717
flat angles C4'-P-C4' energy: -52.025
flat angles P-C4'-P energy: -40.592
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: 7, replica: 2
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -779.977912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.977912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.977912 (E_RNA)
where:
Base-Base interactions energy: -534.730
where: short stacking energy: -226.528
Base-Backbone interact. energy: 1.318
local terms energy: -246.566240
where:
bonds (distance) C4'-P energy: -39.525
bonds (distance) P-C4' energy: -59.632
flat angles C4'-P-C4' energy: -48.185
flat angles P-C4'-P energy: -34.422
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: 8, replica: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -710.756041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.756041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.756041 (E_RNA)
where:
Base-Base interactions energy: -467.935
where: short stacking energy: -183.595
Base-Backbone interact. energy: -0.479
local terms energy: -242.341819
where:
bonds (distance) C4'-P energy: -49.928
bonds (distance) P-C4' energy: -46.199
flat angles C4'-P-C4' energy: -53.353
flat angles P-C4'-P energy: -34.698
tors. eta vs tors. theta energy: -58.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -473.993370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.993370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.993370 (E_RNA)
where:
Base-Base interactions energy: -271.884
where: short stacking energy: -138.195
Base-Backbone interact. energy: -2.832
local terms energy: -199.277098
where:
bonds (distance) C4'-P energy: -50.233
bonds (distance) P-C4' energy: -52.352
flat angles C4'-P-C4' energy: -41.063
flat angles P-C4'-P energy: -32.522
tors. eta vs tors. theta energy: -23.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -376.543050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.543050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.543050 (E_RNA)
where:
Base-Base interactions energy: -212.716
where: short stacking energy: -115.039
Base-Backbone interact. energy: -0.403
local terms energy: -163.424064
where:
bonds (distance) C4'-P energy: -39.247
bonds (distance) P-C4' energy: -45.133
flat angles C4'-P-C4' energy: -43.028
flat angles P-C4'-P energy: -27.376
tors. eta vs tors. theta energy: -8.640
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: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -945.771882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.771882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.771882 (E_RNA)
where:
Base-Base interactions energy: -661.054
where: short stacking energy: -283.068
Base-Backbone interact. energy: -1.042
local terms energy: -283.675170
where:
bonds (distance) C4'-P energy: -52.263
bonds (distance) P-C4' energy: -52.796
flat angles C4'-P-C4' energy: -57.328
flat angles P-C4'-P energy: -41.660
tors. eta vs tors. theta energy: -79.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -910.162691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.162691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.162691 (E_RNA)
where:
Base-Base interactions energy: -621.062
where: short stacking energy: -274.336
Base-Backbone interact. energy: -0.944
local terms energy: -288.157153
where:
bonds (distance) C4'-P energy: -53.575
bonds (distance) P-C4' energy: -54.019
flat angles C4'-P-C4' energy: -57.590
flat angles P-C4'-P energy: -47.343
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: 3, replica: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -877.565865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.565865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.565865 (E_RNA)
where:
Base-Base interactions energy: -607.014
where: short stacking energy: -258.729
Base-Backbone interact. energy: 0.881
local terms energy: -271.432764
where:
bonds (distance) C4'-P energy: -49.739
bonds (distance) P-C4' energy: -52.845
flat angles C4'-P-C4' energy: -55.411
flat angles P-C4'-P energy: -38.463
tors. eta vs tors. theta energy: -74.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -848.928303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.928303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.928303 (E_RNA)
where:
Base-Base interactions energy: -582.265
where: short stacking energy: -236.191
Base-Backbone interact. energy: -1.769
local terms energy: -264.894238
where:
bonds (distance) C4'-P energy: -49.371
bonds (distance) P-C4' energy: -54.273
flat angles C4'-P-C4' energy: -57.331
flat angles P-C4'-P energy: -38.673
tors. eta vs tors. theta energy: -65.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -820.719951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.719951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.719951 (E_RNA)
where:
Base-Base interactions energy: -571.848
where: short stacking energy: -255.396
Base-Backbone interact. energy: 0.620
local terms energy: -249.492219
where:
bonds (distance) C4'-P energy: -36.776
bonds (distance) P-C4' energy: -58.029
flat angles C4'-P-C4' energy: -51.432
flat angles P-C4'-P energy: -33.272
tors. eta vs tors. theta energy: -69.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -784.013360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.013360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.013360 (E_RNA)
where:
Base-Base interactions energy: -536.120
where: short stacking energy: -221.146
Base-Backbone interact. energy: -2.808
local terms energy: -245.084757
where:
bonds (distance) C4'-P energy: -37.031
bonds (distance) P-C4' energy: -51.955
flat angles C4'-P-C4' energy: -55.560
flat angles P-C4'-P energy: -41.968
tors. eta vs tors. theta energy: -58.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -770.138910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.138910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.138910 (E_RNA)
where:
Base-Base interactions energy: -527.641
where: short stacking energy: -224.072
Base-Backbone interact. energy: -0.317
local terms energy: -242.181091
where:
bonds (distance) C4'-P energy: -36.653
bonds (distance) P-C4' energy: -54.879
flat angles C4'-P-C4' energy: -51.712
flat angles P-C4'-P energy: -30.156
tors. eta vs tors. theta energy: -68.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -684.287186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.287186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.287186 (E_RNA)
where:
Base-Base interactions energy: -484.773
where: short stacking energy: -192.293
Base-Backbone interact. energy: 1.471
local terms energy: -200.985185
where:
bonds (distance) C4'-P energy: -35.175
bonds (distance) P-C4' energy: -45.358
flat angles C4'-P-C4' energy: -44.072
flat angles P-C4'-P energy: -29.038
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: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -483.597259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.597259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.597259 (E_RNA)
where:
Base-Base interactions energy: -296.307
where: short stacking energy: -143.947
Base-Backbone interact. energy: 1.924
local terms energy: -189.214653
where:
bonds (distance) C4'-P energy: -38.480
bonds (distance) P-C4' energy: -51.757
flat angles C4'-P-C4' energy: -45.005
flat angles P-C4'-P energy: -23.823
tors. eta vs tors. theta energy: -30.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -353.727388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.727388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.727388 (E_RNA)
where:
Base-Base interactions energy: -193.201
where: short stacking energy: -97.051
Base-Backbone interact. energy: 2.187
local terms energy: -162.713708
where:
bonds (distance) C4'-P energy: -53.220
bonds (distance) P-C4' energy: -36.622
flat angles C4'-P-C4' energy: -43.442
flat angles P-C4'-P energy: -26.220
tors. eta vs tors. theta energy: -3.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -959.877982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.877982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.877982 (E_RNA)
where:
Base-Base interactions energy: -665.984
where: short stacking energy: -286.503
Base-Backbone interact. energy: -1.097
local terms energy: -292.797654
where:
bonds (distance) C4'-P energy: -46.411
bonds (distance) P-C4' energy: -53.161
flat angles C4'-P-C4' energy: -66.372
flat angles P-C4'-P energy: -42.180
tors. eta vs tors. theta energy: -84.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -895.882176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.882176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.882176 (E_RNA)
where:
Base-Base interactions energy: -617.106
where: short stacking energy: -272.367
Base-Backbone interact. energy: -0.184
local terms energy: -278.591760
where:
bonds (distance) C4'-P energy: -45.389
bonds (distance) P-C4' energy: -50.716
flat angles C4'-P-C4' energy: -62.249
flat angles P-C4'-P energy: -43.130
tors. eta vs tors. theta energy: -77.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -888.321441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.321441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.321441 (E_RNA)
where:
Base-Base interactions energy: -611.604
where: short stacking energy: -249.466
Base-Backbone interact. energy: -0.987
local terms energy: -275.730363
where:
bonds (distance) C4'-P energy: -55.328
bonds (distance) P-C4' energy: -54.323
flat angles C4'-P-C4' energy: -56.862
flat angles P-C4'-P energy: -37.128
tors. eta vs tors. theta energy: -72.089
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: 9
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -871.912382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.912382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.912382 (E_RNA)
where:
Base-Base interactions energy: -632.875
where: short stacking energy: -260.603
Base-Backbone interact. energy: -0.251
local terms energy: -238.786525
where:
bonds (distance) C4'-P energy: -43.579
bonds (distance) P-C4' energy: -53.747
flat angles C4'-P-C4' energy: -37.410
flat angles P-C4'-P energy: -38.022
tors. eta vs tors. theta energy: -66.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -808.382713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.382713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.382713 (E_RNA)
where:
Base-Base interactions energy: -552.206
where: short stacking energy: -235.475
Base-Backbone interact. energy: -0.583
local terms energy: -255.594116
where:
bonds (distance) C4'-P energy: -51.531
bonds (distance) P-C4' energy: -52.296
flat angles C4'-P-C4' energy: -47.090
flat angles P-C4'-P energy: -38.180
tors. eta vs tors. theta energy: -66.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -821.013956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.013956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.013956 (E_RNA)
where:
Base-Base interactions energy: -553.822
where: short stacking energy: -237.070
Base-Backbone interact. energy: -0.228
local terms energy: -266.963170
where:
bonds (distance) C4'-P energy: -51.235
bonds (distance) P-C4' energy: -48.381
flat angles C4'-P-C4' energy: -59.575
flat angles P-C4'-P energy: -34.095
tors. eta vs tors. theta energy: -73.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -766.359600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.359600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.359600 (E_RNA)
where:
Base-Base interactions energy: -523.593
where: short stacking energy: -230.154
Base-Backbone interact. energy: -0.188
local terms energy: -242.578332
where:
bonds (distance) C4'-P energy: -42.782
bonds (distance) P-C4' energy: -48.325
flat angles C4'-P-C4' energy: -54.674
flat angles P-C4'-P energy: -32.014
tors. eta vs tors. theta energy: -64.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -709.258302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.258302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.258302 (E_RNA)
where:
Base-Base interactions energy: -473.983
where: short stacking energy: -193.329
Base-Backbone interact. energy: 1.650
local terms energy: -236.924824
where:
bonds (distance) C4'-P energy: -47.677
bonds (distance) P-C4' energy: -56.424
flat angles C4'-P-C4' energy: -46.886
flat angles P-C4'-P energy: -35.150
tors. eta vs tors. theta energy: -50.787
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: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -476.412202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.412202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.412202 (E_RNA)
where:
Base-Base interactions energy: -288.855
where: short stacking energy: -128.220
Base-Backbone interact. energy: 0.104
local terms energy: -187.660607
where:
bonds (distance) C4'-P energy: -50.008
bonds (distance) P-C4' energy: -41.587
flat angles C4'-P-C4' energy: -48.528
flat angles P-C4'-P energy: -29.011
tors. eta vs tors. theta energy: -18.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -360.415103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.415103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.415103 (E_RNA)
where:
Base-Base interactions energy: -203.566
where: short stacking energy: -78.232
Base-Backbone interact. energy: -0.059
local terms energy: -156.789885
where:
bonds (distance) C4'-P energy: -41.553
bonds (distance) P-C4' energy: -48.896
flat angles C4'-P-C4' energy: -38.552
flat angles P-C4'-P energy: -20.290
tors. eta vs tors. theta energy: -7.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -961.039563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.039563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.039563 (E_RNA)
where:
Base-Base interactions energy: -671.267
where: short stacking energy: -293.459
Base-Backbone interact. energy: -1.320
local terms energy: -288.452977
where:
bonds (distance) C4'-P energy: -53.239
bonds (distance) P-C4' energy: -53.096
flat angles C4'-P-C4' energy: -48.614
flat angles P-C4'-P energy: -45.910
tors. eta vs tors. theta energy: -87.594
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: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -904.809711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.809711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.809711 (E_RNA)
where:
Base-Base interactions energy: -612.672
where: short stacking energy: -273.237
Base-Backbone interact. energy: 0.186
local terms energy: -292.323239
where:
bonds (distance) C4'-P energy: -53.858
bonds (distance) P-C4' energy: -51.513
flat angles C4'-P-C4' energy: -60.718
flat angles P-C4'-P energy: -45.212
tors. eta vs tors. theta energy: -81.022
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: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -867.016028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.016028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.016028 (E_RNA)
where:
Base-Base interactions energy: -605.952
where: short stacking energy: -239.318
Base-Backbone interact. energy: -0.722
local terms energy: -260.341550
where:
bonds (distance) C4'-P energy: -48.985
bonds (distance) P-C4' energy: -53.344
flat angles C4'-P-C4' energy: -55.526
flat angles P-C4'-P energy: -36.912
tors. eta vs tors. theta energy: -65.573
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: 9
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -866.898824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.898824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.898824 (E_RNA)
where:
Base-Base interactions energy: -609.089
where: short stacking energy: -258.850
Base-Backbone interact. energy: -0.569
local terms energy: -257.240985
where:
bonds (distance) C4'-P energy: -46.674
bonds (distance) P-C4' energy: -43.373
flat angles C4'-P-C4' energy: -55.711
flat angles P-C4'-P energy: -36.236
tors. eta vs tors. theta energy: -75.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -824.722732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.722732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.722732 (E_RNA)
where:
Base-Base interactions energy: -575.055
where: short stacking energy: -256.038
Base-Backbone interact. energy: -0.379
local terms energy: -249.289121
where:
bonds (distance) C4'-P energy: -41.773
bonds (distance) P-C4' energy: -47.722
flat angles C4'-P-C4' energy: -51.367
flat angles P-C4'-P energy: -31.422
tors. eta vs tors. theta energy: -77.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -782.372332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.372332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.372332 (E_RNA)
where:
Base-Base interactions energy: -527.970
where: short stacking energy: -230.356
Base-Backbone interact. energy: -0.494
local terms energy: -253.908418
where:
bonds (distance) C4'-P energy: -47.920
bonds (distance) P-C4' energy: -55.943
flat angles C4'-P-C4' energy: -52.573
flat angles P-C4'-P energy: -35.733
tors. eta vs tors. theta energy: -61.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -793.145226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.145226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.145226 (E_RNA)
where:
Base-Base interactions energy: -546.046
where: short stacking energy: -224.509
Base-Backbone interact. energy: -0.015
local terms energy: -247.083693
where:
bonds (distance) C4'-P energy: -48.409
bonds (distance) P-C4' energy: -42.415
flat angles C4'-P-C4' energy: -52.547
flat angles P-C4'-P energy: -36.289
tors. eta vs tors. theta energy: -67.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -670.835021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.835021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.835021 (E_RNA)
where:
Base-Base interactions energy: -460.711
where: short stacking energy: -196.345
Base-Backbone interact. energy: -1.535
local terms energy: -208.588270
where:
bonds (distance) C4'-P energy: -47.673
bonds (distance) P-C4' energy: -42.456
flat angles C4'-P-C4' energy: -38.300
flat angles P-C4'-P energy: -32.011
tors. eta vs tors. theta energy: -48.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -457.303930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.303930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.303930 (E_RNA)
where:
Base-Base interactions energy: -273.168
where: short stacking energy: -141.954
Base-Backbone interact. energy: 0.596
local terms energy: -184.731205
where:
bonds (distance) C4'-P energy: -43.976
bonds (distance) P-C4' energy: -35.676
flat angles C4'-P-C4' energy: -41.678
flat angles P-C4'-P energy: -42.298
tors. eta vs tors. theta energy: -21.103
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: 101
Temperature: 1.350000
Total energy: -363.813895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.813895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.813895 (E_RNA)
where:
Base-Base interactions energy: -204.235
where: short stacking energy: -104.224
Base-Backbone interact. energy: -2.086
local terms energy: -157.492053
where:
bonds (distance) C4'-P energy: -28.506
bonds (distance) P-C4' energy: -41.052
flat angles C4'-P-C4' energy: -45.495
flat angles P-C4'-P energy: -29.018
tors. eta vs tors. theta energy: -13.421
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: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -951.816773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.816773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.816773 (E_RNA)
where:
Base-Base interactions energy: -661.591
where: short stacking energy: -277.133
Base-Backbone interact. energy: -1.104
local terms energy: -289.121270
where:
bonds (distance) C4'-P energy: -56.079
bonds (distance) P-C4' energy: -53.374
flat angles C4'-P-C4' energy: -64.748
flat angles P-C4'-P energy: -38.171
tors. eta vs tors. theta energy: -76.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -894.446457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.446457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.446457 (E_RNA)
where:
Base-Base interactions energy: -597.266
where: short stacking energy: -266.131
Base-Backbone interact. energy: 0.188
local terms energy: -297.367869
where:
bonds (distance) C4'-P energy: -58.174
bonds (distance) P-C4' energy: -54.925
flat angles C4'-P-C4' energy: -62.668
flat angles P-C4'-P energy: -40.002
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: 3, replica: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -899.382343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.382343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.382343 (E_RNA)
where:
Base-Base interactions energy: -613.728
where: short stacking energy: -252.290
Base-Backbone interact. energy: -2.085
local terms energy: -283.569705
where:
bonds (distance) C4'-P energy: -50.454
bonds (distance) P-C4' energy: -55.635
flat angles C4'-P-C4' energy: -63.967
flat angles P-C4'-P energy: -35.791
tors. eta vs tors. theta energy: -77.723
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: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -850.414731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.414731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.414731 (E_RNA)
where:
Base-Base interactions energy: -599.984
where: short stacking energy: -240.783
Base-Backbone interact. energy: -0.486
local terms energy: -249.945552
where:
bonds (distance) C4'-P energy: -42.452
bonds (distance) P-C4' energy: -50.642
flat angles C4'-P-C4' energy: -54.596
flat angles P-C4'-P energy: -38.425
tors. eta vs tors. theta energy: -63.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -805.598675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.598675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.598675 (E_RNA)
where:
Base-Base interactions energy: -559.192
where: short stacking energy: -248.863
Base-Backbone interact. energy: -2.539
local terms energy: -243.867814
where:
bonds (distance) C4'-P energy: -40.782
bonds (distance) P-C4' energy: -41.979
flat angles C4'-P-C4' energy: -60.435
flat angles P-C4'-P energy: -34.686
tors. eta vs tors. theta energy: -65.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -817.385281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.385281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.385281 (E_RNA)
where:
Base-Base interactions energy: -556.453
where: short stacking energy: -234.074
Base-Backbone interact. energy: -0.170
local terms energy: -260.762224
where:
bonds (distance) C4'-P energy: -47.575
bonds (distance) P-C4' energy: -42.873
flat angles C4'-P-C4' energy: -56.580
flat angles P-C4'-P energy: -44.031
tors. eta vs tors. theta energy: -69.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -762.343068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.343068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.343068 (E_RNA)
where:
Base-Base interactions energy: -538.848
where: short stacking energy: -217.672
Base-Backbone interact. energy: 0.174
local terms energy: -223.669049
where:
bonds (distance) C4'-P energy: -45.838
bonds (distance) P-C4' energy: -43.279
flat angles C4'-P-C4' energy: -50.952
flat angles P-C4'-P energy: -26.103
tors. eta vs tors. theta energy: -57.497
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: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -678.275583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.275583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.275583 (E_RNA)
where:
Base-Base interactions energy: -464.590
where: short stacking energy: -173.776
Base-Backbone interact. energy: 1.446
local terms energy: -215.131300
where:
bonds (distance) C4'-P energy: -44.130
bonds (distance) P-C4' energy: -47.740
flat angles C4'-P-C4' energy: -51.261
flat angles P-C4'-P energy: -34.130
tors. eta vs tors. theta energy: -37.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -430.296643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.296643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.296643 (E_RNA)
where:
Base-Base interactions energy: -251.220
where: short stacking energy: -119.894
Base-Backbone interact. energy: 0.353
local terms energy: -179.430238
where:
bonds (distance) C4'-P energy: -44.074
bonds (distance) P-C4' energy: -37.561
flat angles C4'-P-C4' energy: -43.959
flat angles P-C4'-P energy: -29.284
tors. eta vs tors. theta energy: -24.551
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: 102
Temperature: 1.350000
Total energy: -371.337056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.337056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.337056 (E_RNA)
where:
Base-Base interactions energy: -209.212
where: short stacking energy: -121.358
Base-Backbone interact. energy: -1.188
local terms energy: -160.936736
where:
bonds (distance) C4'-P energy: -40.930
bonds (distance) P-C4' energy: -36.688
flat angles C4'-P-C4' energy: -38.988
flat angles P-C4'-P energy: -29.563
tors. eta vs tors. theta energy: -14.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -958.629079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.629079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.629079 (E_RNA)
where:
Base-Base interactions energy: -662.997
where: short stacking energy: -290.125
Base-Backbone interact. energy: -0.801
local terms energy: -294.831107
where:
bonds (distance) C4'-P energy: -53.274
bonds (distance) P-C4' energy: -58.128
flat angles C4'-P-C4' energy: -58.085
flat angles P-C4'-P energy: -39.647
tors. eta vs tors. theta energy: -85.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -921.919651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.919651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.919651 (E_RNA)
where:
Base-Base interactions energy: -646.436
where: short stacking energy: -262.276
Base-Backbone interact. energy: 0.419
local terms energy: -275.902558
where:
bonds (distance) C4'-P energy: -48.213
bonds (distance) P-C4' energy: -44.131
flat angles C4'-P-C4' energy: -64.386
flat angles P-C4'-P energy: -45.332
tors. eta vs tors. theta energy: -73.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -885.088442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.088442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.088442 (E_RNA)
where:
Base-Base interactions energy: -591.007
where: short stacking energy: -273.577
Base-Backbone interact. energy: -0.735
local terms energy: -293.346778
where:
bonds (distance) C4'-P energy: -52.568
bonds (distance) P-C4' energy: -55.944
flat angles C4'-P-C4' energy: -61.337
flat angles P-C4'-P energy: -43.462
tors. eta vs tors. theta energy: -80.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -838.129481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.129481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.129481 (E_RNA)
where:
Base-Base interactions energy: -576.099
where: short stacking energy: -252.362
Base-Backbone interact. energy: -0.111
local terms energy: -261.918862
where:
bonds (distance) C4'-P energy: -47.122
bonds (distance) P-C4' energy: -46.992
flat angles C4'-P-C4' energy: -54.279
flat angles P-C4'-P energy: -42.900
tors. eta vs tors. theta energy: -70.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -848.962139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.962139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.962139 (E_RNA)
where:
Base-Base interactions energy: -584.875
where: short stacking energy: -247.306
Base-Backbone interact. energy: 0.869
local terms energy: -264.956573
where:
bonds (distance) C4'-P energy: -53.639
bonds (distance) P-C4' energy: -48.081
flat angles C4'-P-C4' energy: -52.597
flat angles P-C4'-P energy: -34.703
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: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -783.423887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.423887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.423887 (E_RNA)
where:
Base-Base interactions energy: -528.293
where: short stacking energy: -220.197
Base-Backbone interact. energy: -1.538
local terms energy: -253.592909
where:
bonds (distance) C4'-P energy: -51.832
bonds (distance) P-C4' energy: -43.356
flat angles C4'-P-C4' energy: -53.239
flat angles P-C4'-P energy: -42.398
tors. eta vs tors. theta energy: -62.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -789.681576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.681576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.681576 (E_RNA)
where:
Base-Base interactions energy: -536.671
where: short stacking energy: -231.414
Base-Backbone interact. energy: -0.194
local terms energy: -252.817451
where:
bonds (distance) C4'-P energy: -37.742
bonds (distance) P-C4' energy: -48.782
flat angles C4'-P-C4' energy: -55.240
flat angles P-C4'-P energy: -43.854
tors. eta vs tors. theta energy: -67.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -643.732794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.732794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.732794 (E_RNA)
where:
Base-Base interactions energy: -453.577
where: short stacking energy: -181.308
Base-Backbone interact. energy: -2.217
local terms energy: -187.939401
where:
bonds (distance) C4'-P energy: -45.470
bonds (distance) P-C4' energy: -39.502
flat angles C4'-P-C4' energy: -42.624
flat angles P-C4'-P energy: -23.892
tors. eta vs tors. theta energy: -36.451
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: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -422.365097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.365097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.365097 (E_RNA)
where:
Base-Base interactions energy: -234.766
where: short stacking energy: -108.881
Base-Backbone interact. energy: -0.269
local terms energy: -187.329494
where:
bonds (distance) C4'-P energy: -34.089
bonds (distance) P-C4' energy: -56.834
flat angles C4'-P-C4' energy: -44.630
flat angles P-C4'-P energy: -26.625
tors. eta vs tors. theta energy: -25.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -392.604204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.604204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.604204 (E_RNA)
where:
Base-Base interactions energy: -234.225
where: short stacking energy: -108.459
Base-Backbone interact. energy: 1.484
local terms energy: -159.863643
where:
bonds (distance) C4'-P energy: -39.107
bonds (distance) P-C4' energy: -42.351
flat angles C4'-P-C4' energy: -44.982
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -18.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -944.826188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.826188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.826188 (E_RNA)
where:
Base-Base interactions energy: -665.577
where: short stacking energy: -292.399
Base-Backbone interact. energy: 1.858
local terms energy: -281.107848
where:
bonds (distance) C4'-P energy: -46.859
bonds (distance) P-C4' energy: -48.539
flat angles C4'-P-C4' energy: -63.226
flat angles P-C4'-P energy: -41.293
tors. eta vs tors. theta energy: -81.191
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: 9
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -921.154407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.154407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.154407 (E_RNA)
where:
Base-Base interactions energy: -649.720
where: short stacking energy: -276.299
Base-Backbone interact. energy: 4.178
local terms energy: -275.611889
where:
bonds (distance) C4'-P energy: -45.160
bonds (distance) P-C4' energy: -52.734
flat angles C4'-P-C4' energy: -57.953
flat angles P-C4'-P energy: -42.885
tors. eta vs tors. theta energy: -76.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -887.340021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.340021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.340021 (E_RNA)
where:
Base-Base interactions energy: -607.974
where: short stacking energy: -267.570
Base-Backbone interact. energy: 0.324
local terms energy: -279.689841
where:
bonds (distance) C4'-P energy: -49.009
bonds (distance) P-C4' energy: -57.305
flat angles C4'-P-C4' energy: -59.875
flat angles P-C4'-P energy: -32.171
tors. eta vs tors. theta energy: -81.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -844.019328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.019328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.019328 (E_RNA)
where:
Base-Base interactions energy: -583.152
where: short stacking energy: -243.324
Base-Backbone interact. energy: -0.378
local terms energy: -260.489783
where:
bonds (distance) C4'-P energy: -48.376
bonds (distance) P-C4' energy: -53.623
flat angles C4'-P-C4' energy: -50.113
flat angles P-C4'-P energy: -39.339
tors. eta vs tors. theta energy: -69.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -806.840596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.840596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.840596 (E_RNA)
where:
Base-Base interactions energy: -558.074
where: short stacking energy: -243.366
Base-Backbone interact. energy: -0.467
local terms energy: -248.299585
where:
bonds (distance) C4'-P energy: -50.673
bonds (distance) P-C4' energy: -46.771
flat angles C4'-P-C4' energy: -49.531
flat angles P-C4'-P energy: -29.095
tors. eta vs tors. theta energy: -72.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -786.340406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.340406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.340406 (E_RNA)
where:
Base-Base interactions energy: -547.609
where: short stacking energy: -231.349
Base-Backbone interact. energy: -1.499
local terms energy: -237.232409
where:
bonds (distance) C4'-P energy: -54.122
bonds (distance) P-C4' energy: -41.608
flat angles C4'-P-C4' energy: -40.035
flat angles P-C4'-P energy: -38.890
tors. eta vs tors. theta energy: -62.578
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: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -811.932779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.932779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.932779 (E_RNA)
where:
Base-Base interactions energy: -556.526
where: short stacking energy: -243.150
Base-Backbone interact. energy: -0.437
local terms energy: -254.969142
where:
bonds (distance) C4'-P energy: -47.702
bonds (distance) P-C4' energy: -46.244
flat angles C4'-P-C4' energy: -57.399
flat angles P-C4'-P energy: -34.359
tors. eta vs tors. theta energy: -69.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -608.769432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.769432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.769432 (E_RNA)
where:
Base-Base interactions energy: -394.353
where: short stacking energy: -169.069
Base-Backbone interact. energy: 0.297
local terms energy: -214.713762
where:
bonds (distance) C4'-P energy: -49.655
bonds (distance) P-C4' energy: -43.038
flat angles C4'-P-C4' energy: -46.972
flat angles P-C4'-P energy: -30.034
tors. eta vs tors. theta energy: -45.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -415.133234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.133234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.133234 (E_RNA)
where:
Base-Base interactions energy: -241.282
where: short stacking energy: -102.586
Base-Backbone interact. energy: -0.884
local terms energy: -172.967608
where:
bonds (distance) C4'-P energy: -46.563
bonds (distance) P-C4' energy: -49.604
flat angles C4'-P-C4' energy: -40.741
flat angles P-C4'-P energy: -30.218
tors. eta vs tors. theta energy: -5.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -445.306714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.306714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.306714 (E_RNA)
where:
Base-Base interactions energy: -271.440
where: short stacking energy: -132.647
Base-Backbone interact. energy: -0.594
local terms energy: -173.272822
where:
bonds (distance) C4'-P energy: -39.369
bonds (distance) P-C4' energy: -44.417
flat angles C4'-P-C4' energy: -41.629
flat angles P-C4'-P energy: -28.811
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -967.821867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.821867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.821867 (E_RNA)
where:
Base-Base interactions energy: -664.696
where: short stacking energy: -283.438
Base-Backbone interact. energy: -1.516
local terms energy: -301.609760
where:
bonds (distance) C4'-P energy: -59.447
bonds (distance) P-C4' energy: -59.470
flat angles C4'-P-C4' energy: -56.138
flat angles P-C4'-P energy: -44.812
tors. eta vs tors. theta energy: -81.742
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: 2, replica: 9
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -942.163452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.163452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.163452 (E_RNA)
where:
Base-Base interactions energy: -656.713
where: short stacking energy: -275.002
Base-Backbone interact. energy: -1.759
local terms energy: -283.691296
where:
bonds (distance) C4'-P energy: -54.325
bonds (distance) P-C4' energy: -49.544
flat angles C4'-P-C4' energy: -57.820
flat angles P-C4'-P energy: -39.086
tors. eta vs tors. theta energy: -82.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -868.175998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.175998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.175998 (E_RNA)
where:
Base-Base interactions energy: -590.578
where: short stacking energy: -267.753
Base-Backbone interact. energy: -0.742
local terms energy: -276.855911
where:
bonds (distance) C4'-P energy: -49.371
bonds (distance) P-C4' energy: -50.876
flat angles C4'-P-C4' energy: -61.104
flat angles P-C4'-P energy: -38.101
tors. eta vs tors. theta energy: -77.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -820.277048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.277048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.277048 (E_RNA)
where:
Base-Base interactions energy: -569.629
where: short stacking energy: -253.224
Base-Backbone interact. energy: -0.661
local terms energy: -249.987565
where:
bonds (distance) C4'-P energy: -44.132
bonds (distance) P-C4' energy: -44.272
flat angles C4'-P-C4' energy: -49.308
flat angles P-C4'-P energy: -38.895
tors. eta vs tors. theta energy: -73.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -834.773869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.773869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.773869 (E_RNA)
where:
Base-Base interactions energy: -560.801
where: short stacking energy: -240.391
Base-Backbone interact. energy: -0.938
local terms energy: -273.034426
where:
bonds (distance) C4'-P energy: -49.083
bonds (distance) P-C4' energy: -56.724
flat angles C4'-P-C4' energy: -58.457
flat angles P-C4'-P energy: -35.308
tors. eta vs tors. theta energy: -73.462
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: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -800.825501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.825501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.825501 (E_RNA)
where:
Base-Base interactions energy: -546.899
where: short stacking energy: -236.128
Base-Backbone interact. energy: -0.821
local terms energy: -253.105401
where:
bonds (distance) C4'-P energy: -46.247
bonds (distance) P-C4' energy: -54.171
flat angles C4'-P-C4' energy: -47.914
flat angles P-C4'-P energy: -35.862
tors. eta vs tors. theta energy: -68.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -777.809247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.809247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.809247 (E_RNA)
where:
Base-Base interactions energy: -539.754
where: short stacking energy: -222.267
Base-Backbone interact. energy: -0.978
local terms energy: -237.077286
where:
bonds (distance) C4'-P energy: -48.795
bonds (distance) P-C4' energy: -33.086
flat angles C4'-P-C4' energy: -58.149
flat angles P-C4'-P energy: -32.775
tors. eta vs tors. theta energy: -64.271
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: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -643.693197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.693197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.693197 (E_RNA)
where:
Base-Base interactions energy: -432.729
where: short stacking energy: -161.848
Base-Backbone interact. energy: -1.894
local terms energy: -209.070204
where:
bonds (distance) C4'-P energy: -42.320
bonds (distance) P-C4' energy: -45.006
flat angles C4'-P-C4' energy: -48.518
flat angles P-C4'-P energy: -31.487
tors. eta vs tors. theta energy: -41.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -406.579781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.579781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.579781 (E_RNA)
where:
Base-Base interactions energy: -230.109
where: short stacking energy: -113.784
Base-Backbone interact. energy: 0.534
local terms energy: -177.004665
where:
bonds (distance) C4'-P energy: -49.923
bonds (distance) P-C4' energy: -42.517
flat angles C4'-P-C4' energy: -38.225
flat angles P-C4'-P energy: -28.251
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -400.615405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.615405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.615405 (E_RNA)
where:
Base-Base interactions energy: -231.691
where: short stacking energy: -117.153
Base-Backbone interact. energy: 4.238
local terms energy: -173.162028
where:
bonds (distance) C4'-P energy: -49.083
bonds (distance) P-C4' energy: -39.760
flat angles C4'-P-C4' energy: -47.170
flat angles P-C4'-P energy: -25.045
tors. eta vs tors. theta energy: -12.104
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: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -974.148797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.148797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.148797 (E_RNA)
where:
Base-Base interactions energy: -679.651
where: short stacking energy: -299.645
Base-Backbone interact. energy: -0.754
local terms energy: -293.743867
where:
bonds (distance) C4'-P energy: -50.637
bonds (distance) P-C4' energy: -56.464
flat angles C4'-P-C4' energy: -59.831
flat angles P-C4'-P energy: -42.653
tors. eta vs tors. theta energy: -84.159
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: 9
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -921.488524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.488524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.488524 (E_RNA)
where:
Base-Base interactions energy: -647.190
where: short stacking energy: -264.001
Base-Backbone interact. energy: 0.474
local terms energy: -274.772347
where:
bonds (distance) C4'-P energy: -56.825
bonds (distance) P-C4' energy: -51.588
flat angles C4'-P-C4' energy: -62.123
flat angles P-C4'-P energy: -32.619
tors. eta vs tors. theta energy: -71.617
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: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -875.512548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.512548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.512548 (E_RNA)
where:
Base-Base interactions energy: -597.020
where: short stacking energy: -270.586
Base-Backbone interact. energy: -0.582
local terms energy: -277.910377
where:
bonds (distance) C4'-P energy: -52.351
bonds (distance) P-C4' energy: -55.078
flat angles C4'-P-C4' energy: -57.631
flat angles P-C4'-P energy: -38.790
tors. eta vs tors. theta energy: -74.060
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: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -819.972250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.972250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.972250 (E_RNA)
where:
Base-Base interactions energy: -563.545
where: short stacking energy: -251.561
Base-Backbone interact. energy: 0.112
local terms energy: -256.539243
where:
bonds (distance) C4'-P energy: -36.954
bonds (distance) P-C4' energy: -52.894
flat angles C4'-P-C4' energy: -62.616
flat angles P-C4'-P energy: -35.063
tors. eta vs tors. theta energy: -69.013
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: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -846.077742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.077742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.077742 (E_RNA)
where:
Base-Base interactions energy: -570.557
where: short stacking energy: -249.468
Base-Backbone interact. energy: -1.847
local terms energy: -273.673527
where:
bonds (distance) C4'-P energy: -52.087
bonds (distance) P-C4' energy: -45.120
flat angles C4'-P-C4' energy: -60.492
flat angles P-C4'-P energy: -44.399
tors. eta vs tors. theta energy: -71.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -805.823668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.823668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.823668 (E_RNA)
where:
Base-Base interactions energy: -552.150
where: short stacking energy: -240.259
Base-Backbone interact. energy: -0.290
local terms energy: -253.384026
where:
bonds (distance) C4'-P energy: -54.340
bonds (distance) P-C4' energy: -54.184
flat angles C4'-P-C4' energy: -44.081
flat angles P-C4'-P energy: -33.942
tors. eta vs tors. theta energy: -66.836
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: 7
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -792.060468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.060468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.060468 (E_RNA)
where:
Base-Base interactions energy: -558.056
where: short stacking energy: -222.499
Base-Backbone interact. energy: -0.005
local terms energy: -233.998797
where:
bonds (distance) C4'-P energy: -43.782
bonds (distance) P-C4' energy: -36.084
flat angles C4'-P-C4' energy: -56.489
flat angles P-C4'-P energy: -34.547
tors. eta vs tors. theta energy: -63.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -641.080744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.080744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.080744 (E_RNA)
where:
Base-Base interactions energy: -435.894
where: short stacking energy: -170.832
Base-Backbone interact. energy: -2.476
local terms energy: -202.710552
where:
bonds (distance) C4'-P energy: -42.742
bonds (distance) P-C4' energy: -47.982
flat angles C4'-P-C4' energy: -50.670
flat angles P-C4'-P energy: -22.017
tors. eta vs tors. theta energy: -39.301
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: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -410.585741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.585741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.585741 (E_RNA)
where:
Base-Base interactions energy: -222.222
where: short stacking energy: -115.901
Base-Backbone interact. energy: -0.346
local terms energy: -188.018139
where:
bonds (distance) C4'-P energy: -55.859
bonds (distance) P-C4' energy: -31.596
flat angles C4'-P-C4' energy: -39.456
flat angles P-C4'-P energy: -31.890
tors. eta vs tors. theta energy: -29.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -389.024848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.024848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.024848 (E_RNA)
where:
Base-Base interactions energy: -223.047
where: short stacking energy: -101.857
Base-Backbone interact. energy: -1.054
local terms energy: -164.923251
where:
bonds (distance) C4'-P energy: -44.499
bonds (distance) P-C4' energy: -47.498
flat angles C4'-P-C4' energy: -50.605
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -8.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -969.261847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.261847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.261847 (E_RNA)
where:
Base-Base interactions energy: -674.177
where: short stacking energy: -286.529
Base-Backbone interact. energy: 1.847
local terms energy: -296.932051
where:
bonds (distance) C4'-P energy: -54.569
bonds (distance) P-C4' energy: -53.387
flat angles C4'-P-C4' energy: -60.334
flat angles P-C4'-P energy: -42.039
tors. eta vs tors. theta energy: -86.604
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: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -935.637123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.637123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.637123 (E_RNA)
where:
Base-Base interactions energy: -653.589
where: short stacking energy: -260.868
Base-Backbone interact. energy: -0.808
local terms energy: -281.240468
where:
bonds (distance) C4'-P energy: -55.006
bonds (distance) P-C4' energy: -53.001
flat angles C4'-P-C4' energy: -55.093
flat angles P-C4'-P energy: -41.377
tors. eta vs tors. theta energy: -76.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -880.892363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.892363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.892363 (E_RNA)
where:
Base-Base interactions energy: -610.909
where: short stacking energy: -275.789
Base-Backbone interact. energy: -0.426
local terms energy: -269.557959
where:
bonds (distance) C4'-P energy: -54.796
bonds (distance) P-C4' energy: -41.646
flat angles C4'-P-C4' energy: -55.961
flat angles P-C4'-P energy: -38.058
tors. eta vs tors. theta energy: -79.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -806.040915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.040915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.040915 (E_RNA)
where:
Base-Base interactions energy: -545.564
where: short stacking energy: -244.640
Base-Backbone interact. energy: -1.171
local terms energy: -259.305390
where:
bonds (distance) C4'-P energy: -52.808
bonds (distance) P-C4' energy: -51.512
flat angles C4'-P-C4' energy: -49.944
flat angles P-C4'-P energy: -37.918
tors. eta vs tors. theta energy: -67.124
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: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -827.965677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.965677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.965677 (E_RNA)
where:
Base-Base interactions energy: -569.888
where: short stacking energy: -267.394
Base-Backbone interact. energy: 0.907
local terms energy: -258.984160
where:
bonds (distance) C4'-P energy: -47.755
bonds (distance) P-C4' energy: -47.484
flat angles C4'-P-C4' energy: -54.349
flat angles P-C4'-P energy: -35.317
tors. eta vs tors. theta energy: -74.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -787.879631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.879631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.879631 (E_RNA)
where:
Base-Base interactions energy: -546.998
where: short stacking energy: -223.241
Base-Backbone interact. energy: -1.335
local terms energy: -239.546140
where:
bonds (distance) C4'-P energy: -34.483
bonds (distance) P-C4' energy: -51.540
flat angles C4'-P-C4' energy: -58.687
flat angles P-C4'-P energy: -33.257
tors. eta vs tors. theta energy: -61.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -789.698912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.698912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.698912 (E_RNA)
where:
Base-Base interactions energy: -545.379
where: short stacking energy: -240.584
Base-Backbone interact. energy: -0.504
local terms energy: -243.816442
where:
bonds (distance) C4'-P energy: -53.213
bonds (distance) P-C4' energy: -35.986
flat angles C4'-P-C4' energy: -53.653
flat angles P-C4'-P energy: -30.943
tors. eta vs tors. theta energy: -70.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -637.667464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.667464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.667464 (E_RNA)
where:
Base-Base interactions energy: -442.094
where: short stacking energy: -187.553
Base-Backbone interact. energy: -0.051
local terms energy: -195.522949
where:
bonds (distance) C4'-P energy: -43.133
bonds (distance) P-C4' energy: -28.869
flat angles C4'-P-C4' energy: -53.950
flat angles P-C4'-P energy: -30.777
tors. eta vs tors. theta energy: -38.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -428.882299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.882299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.882299 (E_RNA)
where:
Base-Base interactions energy: -235.481
where: short stacking energy: -117.405
Base-Backbone interact. energy: 0.576
local terms energy: -193.977235
where:
bonds (distance) C4'-P energy: -49.702
bonds (distance) P-C4' energy: -52.660
flat angles C4'-P-C4' energy: -44.560
flat angles P-C4'-P energy: -36.561
tors. eta vs tors. theta energy: -10.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -383.433961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.433961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.433961 (E_RNA)
where:
Base-Base interactions energy: -215.351
where: short stacking energy: -108.717
Base-Backbone interact. energy: -1.535
local terms energy: -166.547271
where:
bonds (distance) C4'-P energy: -51.693
bonds (distance) P-C4' energy: -45.653
flat angles C4'-P-C4' energy: -44.559
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -8.964
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: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -947.003421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.003421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.003421 (E_RNA)
where:
Base-Base interactions energy: -656.615
where: short stacking energy: -271.693
Base-Backbone interact. energy: -1.377
local terms energy: -289.011409
where:
bonds (distance) C4'-P energy: -51.984
bonds (distance) P-C4' energy: -52.467
flat angles C4'-P-C4' energy: -62.363
flat angles P-C4'-P energy: -46.143
tors. eta vs tors. theta energy: -76.054
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: 2, replica: 9
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -949.310826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.310826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.310826 (E_RNA)
where:
Base-Base interactions energy: -661.670
where: short stacking energy: -273.975
Base-Backbone interact. energy: -1.124
local terms energy: -286.517038
where:
bonds (distance) C4'-P energy: -48.784
bonds (distance) P-C4' energy: -53.472
flat angles C4'-P-C4' energy: -61.206
flat angles P-C4'-P energy: -47.998
tors. eta vs tors. theta energy: -75.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -874.618877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.618877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.618877 (E_RNA)
where:
Base-Base interactions energy: -587.554
where: short stacking energy: -258.578
Base-Backbone interact. energy: -0.157
local terms energy: -286.908335
where:
bonds (distance) C4'-P energy: -55.273
bonds (distance) P-C4' energy: -50.845
flat angles C4'-P-C4' energy: -60.888
flat angles P-C4'-P energy: -41.479
tors. eta vs tors. theta energy: -78.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -827.096150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.096150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.096150 (E_RNA)
where:
Base-Base interactions energy: -573.266
where: short stacking energy: -251.923
Base-Backbone interact. energy: 1.519
local terms energy: -255.349298
where:
bonds (distance) C4'-P energy: -38.928
bonds (distance) P-C4' energy: -50.899
flat angles C4'-P-C4' energy: -55.349
flat angles P-C4'-P energy: -39.071
tors. eta vs tors. theta energy: -71.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -796.742519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.742519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.742519 (E_RNA)
where:
Base-Base interactions energy: -557.397
where: short stacking energy: -223.024
Base-Backbone interact. energy: 0.125
local terms energy: -239.470294
where:
bonds (distance) C4'-P energy: -48.291
bonds (distance) P-C4' energy: -46.721
flat angles C4'-P-C4' energy: -52.455
flat angles P-C4'-P energy: -40.243
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: 6, replica: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -775.489027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.489027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.489027 (E_RNA)
where:
Base-Base interactions energy: -542.382
where: short stacking energy: -224.219
Base-Backbone interact. energy: -1.156
local terms energy: -231.950804
where:
bonds (distance) C4'-P energy: -35.330
bonds (distance) P-C4' energy: -42.252
flat angles C4'-P-C4' energy: -49.948
flat angles P-C4'-P energy: -41.827
tors. eta vs tors. theta energy: -62.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -794.844242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.844242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.844242 (E_RNA)
where:
Base-Base interactions energy: -540.845
where: short stacking energy: -229.565
Base-Backbone interact. energy: -0.614
local terms energy: -253.385905
where:
bonds (distance) C4'-P energy: -52.000
bonds (distance) P-C4' energy: -52.899
flat angles C4'-P-C4' energy: -47.995
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -66.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -640.672062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.672062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.672062 (E_RNA)
where:
Base-Base interactions energy: -436.980
where: short stacking energy: -188.818
Base-Backbone interact. energy: -1.261
local terms energy: -202.430895
where:
bonds (distance) C4'-P energy: -37.834
bonds (distance) P-C4' energy: -45.026
flat angles C4'-P-C4' energy: -47.549
flat angles P-C4'-P energy: -23.945
tors. eta vs tors. theta energy: -48.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -423.833309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.833309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.833309 (E_RNA)
where:
Base-Base interactions energy: -266.871
where: short stacking energy: -131.136
Base-Backbone interact. energy: 2.770
local terms energy: -159.732247
where:
bonds (distance) C4'-P energy: -45.422
bonds (distance) P-C4' energy: -43.837
flat angles C4'-P-C4' energy: -35.398
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -23.419
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: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -362.235964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.235964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.235964 (E_RNA)
where:
Base-Base interactions energy: -218.984
where: short stacking energy: -113.846
Base-Backbone interact. energy: 1.619
local terms energy: -144.870606
where:
bonds (distance) C4'-P energy: -30.278
bonds (distance) P-C4' energy: -46.066
flat angles C4'-P-C4' energy: -36.432
flat angles P-C4'-P energy: -20.420
tors. eta vs tors. theta energy: -11.675
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: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -954.464852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.464852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.464852 (E_RNA)
where:
Base-Base interactions energy: -660.533
where: short stacking energy: -291.286
Base-Backbone interact. energy: -1.162
local terms energy: -292.770627
where:
bonds (distance) C4'-P energy: -51.438
bonds (distance) P-C4' energy: -60.343
flat angles C4'-P-C4' energy: -55.802
flat angles P-C4'-P energy: -44.590
tors. eta vs tors. theta energy: -80.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -940.120097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.120097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.120097 (E_RNA)
where:
Base-Base interactions energy: -655.574
where: short stacking energy: -265.629
Base-Backbone interact. energy: 1.242
local terms energy: -285.788344
where:
bonds (distance) C4'-P energy: -50.943
bonds (distance) P-C4' energy: -55.504
flat angles C4'-P-C4' energy: -58.656
flat angles P-C4'-P energy: -42.058
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: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -861.506944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.506944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.506944 (E_RNA)
where:
Base-Base interactions energy: -594.639
where: short stacking energy: -251.046
Base-Backbone interact. energy: 1.710
local terms energy: -268.577583
where:
bonds (distance) C4'-P energy: -48.661
bonds (distance) P-C4' energy: -54.050
flat angles C4'-P-C4' energy: -56.401
flat angles P-C4'-P energy: -37.253
tors. eta vs tors. theta energy: -72.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -822.594279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.594279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.594279 (E_RNA)
where:
Base-Base interactions energy: -547.392
where: short stacking energy: -235.663
Base-Backbone interact. energy: -0.362
local terms energy: -274.839867
where:
bonds (distance) C4'-P energy: -55.186
bonds (distance) P-C4' energy: -53.138
flat angles C4'-P-C4' energy: -50.351
flat angles P-C4'-P energy: -44.341
tors. eta vs tors. theta energy: -71.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -800.990473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.990473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.990473 (E_RNA)
where:
Base-Base interactions energy: -540.212
where: short stacking energy: -240.121
Base-Backbone interact. energy: -0.243
local terms energy: -260.535521
where:
bonds (distance) C4'-P energy: -50.482
bonds (distance) P-C4' energy: -46.524
flat angles C4'-P-C4' energy: -52.190
flat angles P-C4'-P energy: -43.796
tors. eta vs tors. theta energy: -67.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -798.743437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.743437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.743437 (E_RNA)
where:
Base-Base interactions energy: -539.334
where: short stacking energy: -229.326
Base-Backbone interact. energy: -0.408
local terms energy: -259.001271
where:
bonds (distance) C4'-P energy: -58.087
bonds (distance) P-C4' energy: -48.874
flat angles C4'-P-C4' energy: -51.109
flat angles P-C4'-P energy: -31.363
tors. eta vs tors. theta energy: -69.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -769.004516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.004516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.004516 (E_RNA)
where:
Base-Base interactions energy: -554.130
where: short stacking energy: -214.628
Base-Backbone interact. energy: 1.104
local terms energy: -215.979212
where:
bonds (distance) C4'-P energy: -38.578
bonds (distance) P-C4' energy: -49.530
flat angles C4'-P-C4' energy: -46.578
flat angles P-C4'-P energy: -31.389
tors. eta vs tors. theta energy: -49.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -673.339598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.339598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.339598 (E_RNA)
where:
Base-Base interactions energy: -449.943
where: short stacking energy: -187.642
Base-Backbone interact. energy: -1.747
local terms energy: -221.649285
where:
bonds (distance) C4'-P energy: -41.377
bonds (distance) P-C4' energy: -51.496
flat angles C4'-P-C4' energy: -48.388
flat angles P-C4'-P energy: -29.755
tors. eta vs tors. theta energy: -50.633
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: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -418.484311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.484311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.484311 (E_RNA)
where:
Base-Base interactions energy: -252.166
where: short stacking energy: -120.134
Base-Backbone interact. energy: -1.369
local terms energy: -164.949906
where:
bonds (distance) C4'-P energy: -29.596
bonds (distance) P-C4' energy: -47.437
flat angles C4'-P-C4' energy: -40.024
flat angles P-C4'-P energy: -26.980
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -382.679674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.679674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.679674 (E_RNA)
where:
Base-Base interactions energy: -231.582
where: short stacking energy: -106.061
Base-Backbone interact. energy: -1.314
local terms energy: -149.784463
where:
bonds (distance) C4'-P energy: -28.364
bonds (distance) P-C4' energy: -43.049
flat angles C4'-P-C4' energy: -45.538
flat angles P-C4'-P energy: -30.061
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -954.578485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.578485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.578485 (E_RNA)
where:
Base-Base interactions energy: -665.860
where: short stacking energy: -286.935
Base-Backbone interact. energy: -1.548
local terms energy: -287.170603
where:
bonds (distance) C4'-P energy: -48.655
bonds (distance) P-C4' energy: -49.391
flat angles C4'-P-C4' energy: -59.974
flat angles P-C4'-P energy: -44.520
tors. eta vs tors. theta energy: -84.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -926.647442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.647442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.647442 (E_RNA)
where:
Base-Base interactions energy: -639.847
where: short stacking energy: -261.348
Base-Backbone interact. energy: -0.889
local terms energy: -285.911482
where:
bonds (distance) C4'-P energy: -52.463
bonds (distance) P-C4' energy: -48.334
flat angles C4'-P-C4' energy: -62.609
flat angles P-C4'-P energy: -43.141
tors. eta vs tors. theta energy: -79.364
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: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -868.931326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.931326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.931326 (E_RNA)
where:
Base-Base interactions energy: -606.541
where: short stacking energy: -256.478
Base-Backbone interact. energy: -0.324
local terms energy: -262.066742
where:
bonds (distance) C4'-P energy: -39.420
bonds (distance) P-C4' energy: -44.488
flat angles C4'-P-C4' energy: -56.761
flat angles P-C4'-P energy: -41.202
tors. eta vs tors. theta energy: -80.196
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: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -818.790229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.790229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.790229 (E_RNA)
where:
Base-Base interactions energy: -564.511
where: short stacking energy: -242.390
Base-Backbone interact. energy: 1.779
local terms energy: -256.059173
where:
bonds (distance) C4'-P energy: -42.025
bonds (distance) P-C4' energy: -50.501
flat angles C4'-P-C4' energy: -51.515
flat angles P-C4'-P energy: -39.731
tors. eta vs tors. theta energy: -72.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -820.430697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.430697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.430697 (E_RNA)
where:
Base-Base interactions energy: -559.403
where: short stacking energy: -248.528
Base-Backbone interact. energy: 0.762
local terms energy: -261.789880
where:
bonds (distance) C4'-P energy: -45.863
bonds (distance) P-C4' energy: -45.124
flat angles C4'-P-C4' energy: -50.685
flat angles P-C4'-P energy: -43.980
tors. eta vs tors. theta energy: -76.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -781.832149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.832149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.832149 (E_RNA)
where:
Base-Base interactions energy: -540.933
where: short stacking energy: -217.580
Base-Backbone interact. energy: -1.196
local terms energy: -239.703593
where:
bonds (distance) C4'-P energy: -53.119
bonds (distance) P-C4' energy: -47.320
flat angles C4'-P-C4' energy: -45.827
flat angles P-C4'-P energy: -34.703
tors. eta vs tors. theta energy: -58.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -764.740192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.740192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.740192 (E_RNA)
where:
Base-Base interactions energy: -528.504
where: short stacking energy: -213.037
Base-Backbone interact. energy: 0.225
local terms energy: -236.461437
where:
bonds (distance) C4'-P energy: -47.071
bonds (distance) P-C4' energy: -52.206
flat angles C4'-P-C4' energy: -52.624
flat angles P-C4'-P energy: -33.746
tors. eta vs tors. theta energy: -50.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -667.207841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.207841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.207841 (E_RNA)
where:
Base-Base interactions energy: -455.304
where: short stacking energy: -196.411
Base-Backbone interact. energy: -0.772
local terms energy: -211.131374
where:
bonds (distance) C4'-P energy: -39.688
bonds (distance) P-C4' energy: -45.245
flat angles C4'-P-C4' energy: -47.676
flat angles P-C4'-P energy: -30.325
tors. eta vs tors. theta energy: -48.197
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: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -423.276995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.276995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.276995 (E_RNA)
where:
Base-Base interactions energy: -247.922
where: short stacking energy: -127.493
Base-Backbone interact. energy: -0.999
local terms energy: -174.356200
where:
bonds (distance) C4'-P energy: -36.665
bonds (distance) P-C4' energy: -43.511
flat angles C4'-P-C4' energy: -41.843
flat angles P-C4'-P energy: -29.306
tors. eta vs tors. theta energy: -23.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -391.091873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.091873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.091873 (E_RNA)
where:
Base-Base interactions energy: -212.497
where: short stacking energy: -94.857
Base-Backbone interact. energy: 1.242
local terms energy: -179.836771
where:
bonds (distance) C4'-P energy: -51.236
bonds (distance) P-C4' energy: -52.777
flat angles C4'-P-C4' energy: -46.673
flat angles P-C4'-P energy: -23.110
tors. eta vs tors. theta energy: -6.040
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: 1, replica: 4
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -957.977337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.977337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.977337 (E_RNA)
where:
Base-Base interactions energy: -650.052
where: short stacking energy: -275.571
Base-Backbone interact. energy: -0.883
local terms energy: -307.042754
where:
bonds (distance) C4'-P energy: -55.465
bonds (distance) P-C4' energy: -55.039
flat angles C4'-P-C4' energy: -63.969
flat angles P-C4'-P energy: -46.313
tors. eta vs tors. theta energy: -86.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -936.702746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.702746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.702746 (E_RNA)
where:
Base-Base interactions energy: -664.443
where: short stacking energy: -287.171
Base-Backbone interact. energy: 2.004
local terms energy: -274.263420
where:
bonds (distance) C4'-P energy: -45.098
bonds (distance) P-C4' energy: -49.724
flat angles C4'-P-C4' energy: -63.992
flat angles P-C4'-P energy: -33.492
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: 3, replica: 5
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -869.343237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.343237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.343237 (E_RNA)
where:
Base-Base interactions energy: -595.538
where: short stacking energy: -256.539
Base-Backbone interact. energy: -1.273
local terms energy: -272.531416
where:
bonds (distance) C4'-P energy: -50.642
bonds (distance) P-C4' energy: -52.564
flat angles C4'-P-C4' energy: -55.073
flat angles P-C4'-P energy: -37.792
tors. eta vs tors. theta energy: -76.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -841.771233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.771233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.771233 (E_RNA)
where:
Base-Base interactions energy: -591.033
where: short stacking energy: -263.840
Base-Backbone interact. energy: -1.103
local terms energy: -249.635555
where:
bonds (distance) C4'-P energy: -37.524
bonds (distance) P-C4' energy: -43.447
flat angles C4'-P-C4' energy: -53.535
flat angles P-C4'-P energy: -39.483
tors. eta vs tors. theta energy: -75.646
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: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -824.117140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.117140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.117140 (E_RNA)
where:
Base-Base interactions energy: -573.068
where: short stacking energy: -245.378
Base-Backbone interact. energy: 0.371
local terms energy: -251.419307
where:
bonds (distance) C4'-P energy: -49.440
bonds (distance) P-C4' energy: -46.142
flat angles C4'-P-C4' energy: -57.915
flat angles P-C4'-P energy: -35.258
tors. eta vs tors. theta energy: -62.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -810.161007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.161007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.161007 (E_RNA)
where:
Base-Base interactions energy: -554.280
where: short stacking energy: -221.740
Base-Backbone interact. energy: -1.525
local terms energy: -254.355913
where:
bonds (distance) C4'-P energy: -57.125
bonds (distance) P-C4' energy: -46.574
flat angles C4'-P-C4' energy: -55.436
flat angles P-C4'-P energy: -39.126
tors. eta vs tors. theta energy: -56.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -793.572723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.572723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.572723 (E_RNA)
where:
Base-Base interactions energy: -539.903
where: short stacking energy: -233.554
Base-Backbone interact. energy: 0.333
local terms energy: -254.002715
where:
bonds (distance) C4'-P energy: -50.019
bonds (distance) P-C4' energy: -54.257
flat angles C4'-P-C4' energy: -50.164
flat angles P-C4'-P energy: -35.735
tors. eta vs tors. theta energy: -63.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -636.887797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.887797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.887797 (E_RNA)
where:
Base-Base interactions energy: -425.581
where: short stacking energy: -178.084
Base-Backbone interact. energy: -1.197
local terms energy: -210.109818
where:
bonds (distance) C4'-P energy: -49.121
bonds (distance) P-C4' energy: -43.122
flat angles C4'-P-C4' energy: -49.986
flat angles P-C4'-P energy: -37.025
tors. eta vs tors. theta energy: -30.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -400.502332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.502332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.502332 (E_RNA)
where:
Base-Base interactions energy: -227.421
where: short stacking energy: -101.547
Base-Backbone interact. energy: 1.139
local terms energy: -174.219801
where:
bonds (distance) C4'-P energy: -50.991
bonds (distance) P-C4' energy: -43.778
flat angles C4'-P-C4' energy: -35.375
flat angles P-C4'-P energy: -28.386
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: 111
Temperature: 1.350000
Total energy: -341.571060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.571060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.571060 (E_RNA)
where:
Base-Base interactions energy: -176.515
where: short stacking energy: -84.651
Base-Backbone interact. energy: 1.259
local terms energy: -166.315563
where:
bonds (distance) C4'-P energy: -54.573
bonds (distance) P-C4' energy: -34.295
flat angles C4'-P-C4' energy: -40.804
flat angles P-C4'-P energy: -31.516
tors. eta vs tors. theta energy: -5.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -956.496998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.496998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.496998 (E_RNA)
where:
Base-Base interactions energy: -667.411
where: short stacking energy: -285.324
Base-Backbone interact. energy: 0.914
local terms energy: -290.000123
where:
bonds (distance) C4'-P energy: -49.978
bonds (distance) P-C4' energy: -49.416
flat angles C4'-P-C4' energy: -63.609
flat angles P-C4'-P energy: -47.066
tors. eta vs tors. theta energy: -79.931
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: 9
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -933.478686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.478686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.478686 (E_RNA)
where:
Base-Base interactions energy: -648.880
where: short stacking energy: -280.907
Base-Backbone interact. energy: 0.869
local terms energy: -285.467755
where:
bonds (distance) C4'-P energy: -50.279
bonds (distance) P-C4' energy: -56.298
flat angles C4'-P-C4' energy: -58.087
flat angles P-C4'-P energy: -38.053
tors. eta vs tors. theta energy: -82.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -878.986353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.986353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.986353 (E_RNA)
where:
Base-Base interactions energy: -609.110
where: short stacking energy: -269.666
Base-Backbone interact. energy: 1.131
local terms energy: -271.006696
where:
bonds (distance) C4'-P energy: -42.901
bonds (distance) P-C4' energy: -52.733
flat angles C4'-P-C4' energy: -57.204
flat angles P-C4'-P energy: -41.750
tors. eta vs tors. theta energy: -76.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -825.612290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.612290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.612290 (E_RNA)
where:
Base-Base interactions energy: -572.705
where: short stacking energy: -247.374
Base-Backbone interact. energy: 0.024
local terms energy: -252.931653
where:
bonds (distance) C4'-P energy: -48.155
bonds (distance) P-C4' energy: -53.829
flat angles C4'-P-C4' energy: -51.215
flat angles P-C4'-P energy: -33.084
tors. eta vs tors. theta energy: -66.648
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: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -828.223257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.223257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.223257 (E_RNA)
where:
Base-Base interactions energy: -560.575
where: short stacking energy: -234.187
Base-Backbone interact. energy: -0.277
local terms energy: -267.370948
where:
bonds (distance) C4'-P energy: -47.963
bonds (distance) P-C4' energy: -58.312
flat angles C4'-P-C4' energy: -56.057
flat angles P-C4'-P energy: -40.430
tors. eta vs tors. theta energy: -64.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -781.677732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.677732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.677732 (E_RNA)
where:
Base-Base interactions energy: -551.882
where: short stacking energy: -219.621
Base-Backbone interact. energy: -2.284
local terms energy: -227.512462
where:
bonds (distance) C4'-P energy: -45.497
bonds (distance) P-C4' energy: -53.972
flat angles C4'-P-C4' energy: -43.554
flat angles P-C4'-P energy: -32.370
tors. eta vs tors. theta energy: -52.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -771.293823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.293823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.293823 (E_RNA)
where:
Base-Base interactions energy: -539.292
where: short stacking energy: -230.589
Base-Backbone interact. energy: -0.465
local terms energy: -231.537309
where:
bonds (distance) C4'-P energy: -40.888
bonds (distance) P-C4' energy: -38.216
flat angles C4'-P-C4' energy: -52.580
flat angles P-C4'-P energy: -35.295
tors. eta vs tors. theta energy: -64.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -672.792136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.792136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.792136 (E_RNA)
where:
Base-Base interactions energy: -459.039
where: short stacking energy: -206.884
Base-Backbone interact. energy: -0.227
local terms energy: -213.526591
where:
bonds (distance) C4'-P energy: -41.450
bonds (distance) P-C4' energy: -37.569
flat angles C4'-P-C4' energy: -51.793
flat angles P-C4'-P energy: -30.026
tors. eta vs tors. theta energy: -52.688
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: 10
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -408.179314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.179314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.179314 (E_RNA)
where:
Base-Base interactions energy: -245.848
where: short stacking energy: -130.972
Base-Backbone interact. energy: 1.006
local terms energy: -163.337325
where:
bonds (distance) C4'-P energy: -45.923
bonds (distance) P-C4' energy: -41.835
flat angles C4'-P-C4' energy: -32.493
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -27.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -402.556548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.556548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.556548 (E_RNA)
where:
Base-Base interactions energy: -229.176
where: short stacking energy: -115.251
Base-Backbone interact. energy: -2.642
local terms energy: -170.738405
where:
bonds (distance) C4'-P energy: -36.587
bonds (distance) P-C4' energy: -52.953
flat angles C4'-P-C4' energy: -45.875
flat angles P-C4'-P energy: -24.112
tors. eta vs tors. theta energy: -11.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -954.666361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.666361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.666361 (E_RNA)
where:
Base-Base interactions energy: -669.196
where: short stacking energy: -279.134
Base-Backbone interact. energy: -2.063
local terms energy: -283.407078
where:
bonds (distance) C4'-P energy: -51.335
bonds (distance) P-C4' energy: -49.207
flat angles C4'-P-C4' energy: -60.137
flat angles P-C4'-P energy: -44.536
tors. eta vs tors. theta energy: -78.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -924.467817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.467817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.467817 (E_RNA)
where:
Base-Base interactions energy: -639.192
where: short stacking energy: -272.107
Base-Backbone interact. energy: -0.069
local terms energy: -285.207585
where:
bonds (distance) C4'-P energy: -50.456
bonds (distance) P-C4' energy: -55.979
flat angles C4'-P-C4' energy: -60.975
flat angles P-C4'-P energy: -40.515
tors. eta vs tors. theta energy: -77.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -866.572988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.572988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.572988 (E_RNA)
where:
Base-Base interactions energy: -595.243
where: short stacking energy: -256.033
Base-Backbone interact. energy: -0.585
local terms energy: -270.745497
where:
bonds (distance) C4'-P energy: -56.590
bonds (distance) P-C4' energy: -47.695
flat angles C4'-P-C4' energy: -54.208
flat angles P-C4'-P energy: -35.552
tors. eta vs tors. theta energy: -76.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -860.405989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.405989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.405989 (E_RNA)
where:
Base-Base interactions energy: -590.524
where: short stacking energy: -259.203
Base-Backbone interact. energy: -0.459
local terms energy: -269.422156
where:
bonds (distance) C4'-P energy: -49.647
bonds (distance) P-C4' energy: -51.082
flat angles C4'-P-C4' energy: -56.256
flat angles P-C4'-P energy: -37.443
tors. eta vs tors. theta energy: -74.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -811.950742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.950742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.950742 (E_RNA)
where:
Base-Base interactions energy: -559.274
where: short stacking energy: -251.043
Base-Backbone interact. energy: 1.752
local terms energy: -254.428586
where:
bonds (distance) C4'-P energy: -45.972
bonds (distance) P-C4' energy: -45.152
flat angles C4'-P-C4' energy: -54.831
flat angles P-C4'-P energy: -35.398
tors. eta vs tors. theta energy: -73.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -819.602110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.602110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.602110 (E_RNA)
where:
Base-Base interactions energy: -573.162
where: short stacking energy: -248.094
Base-Backbone interact. energy: -0.947
local terms energy: -245.494048
where:
bonds (distance) C4'-P energy: -47.402
bonds (distance) P-C4' energy: -44.280
flat angles C4'-P-C4' energy: -49.776
flat angles P-C4'-P energy: -32.276
tors. eta vs tors. theta energy: -71.761
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: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -728.974648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.974648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.974648 (E_RNA)
where:
Base-Base interactions energy: -515.039
where: short stacking energy: -200.278
Base-Backbone interact. energy: 1.781
local terms energy: -215.716720
where:
bonds (distance) C4'-P energy: -34.932
bonds (distance) P-C4' energy: -54.514
flat angles C4'-P-C4' energy: -48.188
flat angles P-C4'-P energy: -31.301
tors. eta vs tors. theta energy: -46.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -662.775323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.775323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.775323 (E_RNA)
where:
Base-Base interactions energy: -445.101
where: short stacking energy: -188.989
Base-Backbone interact. energy: -1.279
local terms energy: -216.395556
where:
bonds (distance) C4'-P energy: -48.121
bonds (distance) P-C4' energy: -41.749
flat angles C4'-P-C4' energy: -45.362
flat angles P-C4'-P energy: -34.168
tors. eta vs tors. theta energy: -46.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -379.818058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.818058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.818058 (E_RNA)
where:
Base-Base interactions energy: -205.542
where: short stacking energy: -104.111
Base-Backbone interact. energy: -0.717
local terms energy: -173.558715
where:
bonds (distance) C4'-P energy: -47.012
bonds (distance) P-C4' energy: -53.014
flat angles C4'-P-C4' energy: -39.942
flat angles P-C4'-P energy: -31.542
tors. eta vs tors. theta energy: -2.048
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: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -396.515158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.515158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.515158 (E_RNA)
where:
Base-Base interactions energy: -235.534
where: short stacking energy: -121.403
Base-Backbone interact. energy: -0.437
local terms energy: -160.544860
where:
bonds (distance) C4'-P energy: -37.774
bonds (distance) P-C4' energy: -30.194
flat angles C4'-P-C4' energy: -54.517
flat angles P-C4'-P energy: -19.138
tors. eta vs tors. theta energy: -18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -959.959740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.959740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.959740 (E_RNA)
where:
Base-Base interactions energy: -667.767
where: short stacking energy: -283.213
Base-Backbone interact. energy: 0.723
local terms energy: -292.915913
where:
bonds (distance) C4'-P energy: -42.218
bonds (distance) P-C4' energy: -58.398
flat angles C4'-P-C4' energy: -65.985
flat angles P-C4'-P energy: -44.930
tors. eta vs tors. theta energy: -81.384
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: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -914.473904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.473904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.473904 (E_RNA)
where:
Base-Base interactions energy: -644.716
where: short stacking energy: -267.823
Base-Backbone interact. energy: -0.784
local terms energy: -268.974281
where:
bonds (distance) C4'-P energy: -44.040
bonds (distance) P-C4' energy: -54.034
flat angles C4'-P-C4' energy: -59.302
flat angles P-C4'-P energy: -35.402
tors. eta vs tors. theta energy: -76.196
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: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -876.122884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.122884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.122884 (E_RNA)
where:
Base-Base interactions energy: -619.520
where: short stacking energy: -264.817
Base-Backbone interact. energy: 2.094
local terms energy: -258.696933
where:
bonds (distance) C4'-P energy: -48.664
bonds (distance) P-C4' energy: -43.470
flat angles C4'-P-C4' energy: -57.706
flat angles P-C4'-P energy: -36.145
tors. eta vs tors. theta energy: -72.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -847.268834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.268834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.268834 (E_RNA)
where:
Base-Base interactions energy: -593.506
where: short stacking energy: -272.548
Base-Backbone interact. energy: -0.074
local terms energy: -253.688727
where:
bonds (distance) C4'-P energy: -37.999
bonds (distance) P-C4' energy: -39.820
flat angles C4'-P-C4' energy: -58.037
flat angles P-C4'-P energy: -40.202
tors. eta vs tors. theta energy: -77.631
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: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -819.919108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.919108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.919108 (E_RNA)
where:
Base-Base interactions energy: -564.229
where: short stacking energy: -246.804
Base-Backbone interact. energy: -0.042
local terms energy: -255.647844
where:
bonds (distance) C4'-P energy: -41.685
bonds (distance) P-C4' energy: -46.694
flat angles C4'-P-C4' energy: -57.261
flat angles P-C4'-P energy: -41.777
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: 6, replica: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -790.776348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.776348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.776348 (E_RNA)
where:
Base-Base interactions energy: -537.760
where: short stacking energy: -234.260
Base-Backbone interact. energy: 0.563
local terms energy: -253.580158
where:
bonds (distance) C4'-P energy: -47.878
bonds (distance) P-C4' energy: -50.111
flat angles C4'-P-C4' energy: -50.364
flat angles P-C4'-P energy: -40.796
tors. eta vs tors. theta energy: -64.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -752.266374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.266374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.266374 (E_RNA)
where:
Base-Base interactions energy: -533.004
where: short stacking energy: -210.628
Base-Backbone interact. energy: -0.662
local terms energy: -218.600286
where:
bonds (distance) C4'-P energy: -38.922
bonds (distance) P-C4' energy: -46.213
flat angles C4'-P-C4' energy: -44.154
flat angles P-C4'-P energy: -36.837
tors. eta vs tors. theta energy: -52.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -656.868984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.868984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.868984 (E_RNA)
where:
Base-Base interactions energy: -443.267
where: short stacking energy: -185.173
Base-Backbone interact. energy: 0.739
local terms energy: -214.341074
where:
bonds (distance) C4'-P energy: -39.033
bonds (distance) P-C4' energy: -47.304
flat angles C4'-P-C4' energy: -51.456
flat angles P-C4'-P energy: -32.607
tors. eta vs tors. theta energy: -43.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -418.077606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.077606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.077606 (E_RNA)
where:
Base-Base interactions energy: -248.578
where: short stacking energy: -124.560
Base-Backbone interact. energy: -0.281
local terms energy: -169.218425
where:
bonds (distance) C4'-P energy: -43.506
bonds (distance) P-C4' energy: -58.885
flat angles C4'-P-C4' energy: -34.857
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -336.057230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.057230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.057230 (E_RNA)
where:
Base-Base interactions energy: -182.698
where: short stacking energy: -100.620
Base-Backbone interact. energy: -0.573
local terms energy: -152.785635
where:
bonds (distance) C4'-P energy: -34.712
bonds (distance) P-C4' energy: -45.425
flat angles C4'-P-C4' energy: -41.674
flat angles P-C4'-P energy: -25.812
tors. eta vs tors. theta energy: -5.162
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: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -955.849849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.849849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.849849 (E_RNA)
where:
Base-Base interactions energy: -666.852
where: short stacking energy: -274.611
Base-Backbone interact. energy: -1.503
local terms energy: -287.495180
where:
bonds (distance) C4'-P energy: -54.240
bonds (distance) P-C4' energy: -52.470
flat angles C4'-P-C4' energy: -60.147
flat angles P-C4'-P energy: -40.292
tors. eta vs tors. theta energy: -80.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -934.425473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.425473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.425473 (E_RNA)
where:
Base-Base interactions energy: -659.722
where: short stacking energy: -260.916
Base-Backbone interact. energy: -0.438
local terms energy: -274.265430
where:
bonds (distance) C4'-P energy: -50.475
bonds (distance) P-C4' energy: -47.655
flat angles C4'-P-C4' energy: -57.233
flat angles P-C4'-P energy: -41.619
tors. eta vs tors. theta energy: -77.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -869.095753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.095753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.095753 (E_RNA)
where:
Base-Base interactions energy: -593.677
where: short stacking energy: -246.847
Base-Backbone interact. energy: -1.090
local terms energy: -274.328078
where:
bonds (distance) C4'-P energy: -46.100
bonds (distance) P-C4' energy: -53.294
flat angles C4'-P-C4' energy: -64.898
flat angles P-C4'-P energy: -41.344
tors. eta vs tors. theta energy: -68.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -853.125631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.125631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.125631 (E_RNA)
where:
Base-Base interactions energy: -585.178
where: short stacking energy: -259.905
Base-Backbone interact. energy: 1.295
local terms energy: -269.242519
where:
bonds (distance) C4'-P energy: -54.393
bonds (distance) P-C4' energy: -47.651
flat angles C4'-P-C4' energy: -53.855
flat angles P-C4'-P energy: -34.170
tors. eta vs tors. theta energy: -79.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -788.436093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.436093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.436093 (E_RNA)
where:
Base-Base interactions energy: -542.053
where: short stacking energy: -227.655
Base-Backbone interact. energy: -1.138
local terms energy: -245.245269
where:
bonds (distance) C4'-P energy: -46.978
bonds (distance) P-C4' energy: -40.657
flat angles C4'-P-C4' energy: -59.476
flat angles P-C4'-P energy: -38.273
tors. eta vs tors. theta energy: -59.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -769.597935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.597935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.597935 (E_RNA)
where:
Base-Base interactions energy: -539.019
where: short stacking energy: -213.447
Base-Backbone interact. energy: -0.770
local terms energy: -229.809106
where:
bonds (distance) C4'-P energy: -46.539
bonds (distance) P-C4' energy: -48.487
flat angles C4'-P-C4' energy: -57.475
flat angles P-C4'-P energy: -30.136
tors. eta vs tors. theta energy: -47.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -785.803609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.803609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.803609 (E_RNA)
where:
Base-Base interactions energy: -539.441
where: short stacking energy: -235.415
Base-Backbone interact. energy: -0.930
local terms energy: -245.431944
where:
bonds (distance) C4'-P energy: -49.792
bonds (distance) P-C4' energy: -42.269
flat angles C4'-P-C4' energy: -48.619
flat angles P-C4'-P energy: -38.987
tors. eta vs tors. theta energy: -65.765
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: 115
Temperature: 1.250000
Total energy: -689.305466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.305466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.305466 (E_RNA)
where:
Base-Base interactions energy: -459.183
where: short stacking energy: -207.338
Base-Backbone interact. energy: -0.917
local terms energy: -229.205194
where:
bonds (distance) C4'-P energy: -50.929
bonds (distance) P-C4' energy: -47.584
flat angles C4'-P-C4' energy: -45.681
flat angles P-C4'-P energy: -30.437
tors. eta vs tors. theta energy: -54.574
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: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -429.337553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.337553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.337553 (E_RNA)
where:
Base-Base interactions energy: -227.482
where: short stacking energy: -119.091
Base-Backbone interact. energy: -0.506
local terms energy: -201.349738
where:
bonds (distance) C4'-P energy: -53.560
bonds (distance) P-C4' energy: -47.929
flat angles C4'-P-C4' energy: -51.173
flat angles P-C4'-P energy: -28.793
tors. eta vs tors. theta energy: -19.895
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: 115
Temperature: 1.350000
Total energy: -378.230120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.230120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.230120 (E_RNA)
where:
Base-Base interactions energy: -215.556
where: short stacking energy: -101.282
Base-Backbone interact. energy: -1.118
local terms energy: -161.555822
where:
bonds (distance) C4'-P energy: -44.337
bonds (distance) P-C4' energy: -45.035
flat angles C4'-P-C4' energy: -31.795
flat angles P-C4'-P energy: -28.843
tors. eta vs tors. theta energy: -11.546
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: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -945.357363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.357363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.357363 (E_RNA)
where:
Base-Base interactions energy: -663.288
where: short stacking energy: -273.943
Base-Backbone interact. energy: 3.532
local terms energy: -285.600934
where:
bonds (distance) C4'-P energy: -52.475
bonds (distance) P-C4' energy: -50.631
flat angles C4'-P-C4' energy: -57.902
flat angles P-C4'-P energy: -44.210
tors. eta vs tors. theta energy: -80.382
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: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -918.118694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.118694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.118694 (E_RNA)
where:
Base-Base interactions energy: -658.835
where: short stacking energy: -259.917
Base-Backbone interact. energy: -0.845
local terms energy: -258.439297
where:
bonds (distance) C4'-P energy: -45.243
bonds (distance) P-C4' energy: -48.351
flat angles C4'-P-C4' energy: -52.018
flat angles P-C4'-P energy: -32.646
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: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -897.949440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.949440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.949440 (E_RNA)
where:
Base-Base interactions energy: -621.014
where: short stacking energy: -266.133
Base-Backbone interact. energy: -0.984
local terms energy: -275.951839
where:
bonds (distance) C4'-P energy: -49.045
bonds (distance) P-C4' energy: -50.485
flat angles C4'-P-C4' energy: -59.682
flat angles P-C4'-P energy: -41.248
tors. eta vs tors. theta energy: -75.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -830.951538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.951538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.951538 (E_RNA)
where:
Base-Base interactions energy: -546.527
where: short stacking energy: -232.637
Base-Backbone interact. energy: -0.900
local terms energy: -283.524849
where:
bonds (distance) C4'-P energy: -48.317
bonds (distance) P-C4' energy: -54.052
flat angles C4'-P-C4' energy: -63.240
flat angles P-C4'-P energy: -44.799
tors. eta vs tors. theta energy: -73.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -804.604910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.604910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.604910 (E_RNA)
where:
Base-Base interactions energy: -568.154
where: short stacking energy: -240.144
Base-Backbone interact. energy: -1.288
local terms energy: -235.163535
where:
bonds (distance) C4'-P energy: -53.678
bonds (distance) P-C4' energy: -47.290
flat angles C4'-P-C4' energy: -50.827
flat angles P-C4'-P energy: -25.277
tors. eta vs tors. theta energy: -58.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -785.511956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.511956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.511956 (E_RNA)
where:
Base-Base interactions energy: -548.162
where: short stacking energy: -235.295
Base-Backbone interact. energy: -0.861
local terms energy: -236.488660
where:
bonds (distance) C4'-P energy: -36.375
bonds (distance) P-C4' energy: -43.731
flat angles C4'-P-C4' energy: -58.064
flat angles P-C4'-P energy: -35.179
tors. eta vs tors. theta energy: -63.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -787.458069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.458069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.458069 (E_RNA)
where:
Base-Base interactions energy: -529.126
where: short stacking energy: -217.290
Base-Backbone interact. energy: -0.591
local terms energy: -257.740999
where:
bonds (distance) C4'-P energy: -45.882
bonds (distance) P-C4' energy: -55.705
flat angles C4'-P-C4' energy: -50.573
flat angles P-C4'-P energy: -43.178
tors. eta vs tors. theta energy: -62.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -656.612188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.612188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.612188 (E_RNA)
where:
Base-Base interactions energy: -425.721
where: short stacking energy: -172.056
Base-Backbone interact. energy: -0.586
local terms energy: -230.304806
where:
bonds (distance) C4'-P energy: -57.295
bonds (distance) P-C4' energy: -52.726
flat angles C4'-P-C4' energy: -44.745
flat angles P-C4'-P energy: -31.930
tors. eta vs tors. theta energy: -43.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -430.034915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.034915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.034915 (E_RNA)
where:
Base-Base interactions energy: -231.317
where: short stacking energy: -113.603
Base-Backbone interact. energy: -1.092
local terms energy: -197.626486
where:
bonds (distance) C4'-P energy: -50.482
bonds (distance) P-C4' energy: -50.176
flat angles C4'-P-C4' energy: -49.143
flat angles P-C4'-P energy: -36.218
tors. eta vs tors. theta energy: -11.607
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: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -398.061144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.061144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.061144 (E_RNA)
where:
Base-Base interactions energy: -216.395
where: short stacking energy: -104.621
Base-Backbone interact. energy: -0.170
local terms energy: -181.496269
where:
bonds (distance) C4'-P energy: -43.648
bonds (distance) P-C4' energy: -49.175
flat angles C4'-P-C4' energy: -41.686
flat angles P-C4'-P energy: -31.576
tors. eta vs tors. theta energy: -15.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -942.521612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.521612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.521612 (E_RNA)
where:
Base-Base interactions energy: -653.240
where: short stacking energy: -275.330
Base-Backbone interact. energy: -0.976
local terms energy: -288.306336
where:
bonds (distance) C4'-P energy: -59.881
bonds (distance) P-C4' energy: -47.451
flat angles C4'-P-C4' energy: -59.553
flat angles P-C4'-P energy: -38.490
tors. eta vs tors. theta energy: -82.931
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: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -927.813564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.813564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.813564 (E_RNA)
where:
Base-Base interactions energy: -664.467
where: short stacking energy: -271.976
Base-Backbone interact. energy: 1.151
local terms energy: -264.497790
where:
bonds (distance) C4'-P energy: -50.762
bonds (distance) P-C4' energy: -45.999
flat angles C4'-P-C4' energy: -64.650
flat angles P-C4'-P energy: -29.826
tors. eta vs tors. theta energy: -73.261
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: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -895.369171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.369171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.369171 (E_RNA)
where:
Base-Base interactions energy: -623.018
where: short stacking energy: -284.467
Base-Backbone interact. energy: -0.233
local terms energy: -272.118406
where:
bonds (distance) C4'-P energy: -46.673
bonds (distance) P-C4' energy: -45.787
flat angles C4'-P-C4' energy: -58.669
flat angles P-C4'-P energy: -38.915
tors. eta vs tors. theta energy: -82.076
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: 7
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -827.042877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.042877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.042877 (E_RNA)
where:
Base-Base interactions energy: -583.006
where: short stacking energy: -240.163
Base-Backbone interact. energy: 2.614
local terms energy: -246.651697
where:
bonds (distance) C4'-P energy: -41.707
bonds (distance) P-C4' energy: -50.437
flat angles C4'-P-C4' energy: -56.504
flat angles P-C4'-P energy: -38.656
tors. eta vs tors. theta energy: -59.348
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: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -823.940423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.940423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.940423 (E_RNA)
where:
Base-Base interactions energy: -563.617
where: short stacking energy: -245.666
Base-Backbone interact. energy: -0.369
local terms energy: -259.954538
where:
bonds (distance) C4'-P energy: -44.547
bonds (distance) P-C4' energy: -49.491
flat angles C4'-P-C4' energy: -56.881
flat angles P-C4'-P energy: -37.335
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: 6, replica: 2
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -801.224787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.224787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.224787 (E_RNA)
where:
Base-Base interactions energy: -550.515
where: short stacking energy: -236.712
Base-Backbone interact. energy: 2.943
local terms energy: -253.653359
where:
bonds (distance) C4'-P energy: -54.334
bonds (distance) P-C4' energy: -47.559
flat angles C4'-P-C4' energy: -56.327
flat angles P-C4'-P energy: -31.443
tors. eta vs tors. theta energy: -63.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -760.268679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.268679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.268679 (E_RNA)
where:
Base-Base interactions energy: -535.870
where: short stacking energy: -219.328
Base-Backbone interact. energy: -0.826
local terms energy: -223.572671
where:
bonds (distance) C4'-P energy: -35.519
bonds (distance) P-C4' energy: -48.628
flat angles C4'-P-C4' energy: -48.898
flat angles P-C4'-P energy: -32.303
tors. eta vs tors. theta energy: -58.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -635.481504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.481504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.481504 (E_RNA)
where:
Base-Base interactions energy: -414.406
where: short stacking energy: -187.597
Base-Backbone interact. energy: -1.419
local terms energy: -219.656179
where:
bonds (distance) C4'-P energy: -47.398
bonds (distance) P-C4' energy: -43.668
flat angles C4'-P-C4' energy: -55.247
flat angles P-C4'-P energy: -36.909
tors. eta vs tors. theta energy: -36.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -473.278394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.278394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.278394 (E_RNA)
where:
Base-Base interactions energy: -293.352
where: short stacking energy: -154.317
Base-Backbone interact. energy: 0.087
local terms energy: -180.013676
where:
bonds (distance) C4'-P energy: -42.480
bonds (distance) P-C4' energy: -39.799
flat angles C4'-P-C4' energy: -44.882
flat angles P-C4'-P energy: -28.639
tors. eta vs tors. theta energy: -24.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -407.902910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.902910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.902910 (E_RNA)
where:
Base-Base interactions energy: -238.638
where: short stacking energy: -99.433
Base-Backbone interact. energy: 2.536
local terms energy: -171.801543
where:
bonds (distance) C4'-P energy: -46.392
bonds (distance) P-C4' energy: -49.076
flat angles C4'-P-C4' energy: -31.685
flat angles P-C4'-P energy: -35.757
tors. eta vs tors. theta energy: -8.891
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: 4
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -962.260190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.260190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.260190 (E_RNA)
where:
Base-Base interactions energy: -683.473
where: short stacking energy: -279.305
Base-Backbone interact. energy: -0.290
local terms energy: -278.497313
where:
bonds (distance) C4'-P energy: -42.729
bonds (distance) P-C4' energy: -57.757
flat angles C4'-P-C4' energy: -63.967
flat angles P-C4'-P energy: -37.486
tors. eta vs tors. theta energy: -76.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -919.301426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.301426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.301426 (E_RNA)
where:
Base-Base interactions energy: -631.398
where: short stacking energy: -274.283
Base-Backbone interact. energy: -0.611
local terms energy: -287.292209
where:
bonds (distance) C4'-P energy: -51.393
bonds (distance) P-C4' energy: -53.347
flat angles C4'-P-C4' energy: -59.320
flat angles P-C4'-P energy: -42.663
tors. eta vs tors. theta energy: -80.569
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: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -898.428001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.428001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.428001 (E_RNA)
where:
Base-Base interactions energy: -622.295
where: short stacking energy: -279.490
Base-Backbone interact. energy: -0.414
local terms energy: -275.719132
where:
bonds (distance) C4'-P energy: -53.577
bonds (distance) P-C4' energy: -43.209
flat angles C4'-P-C4' energy: -58.015
flat angles P-C4'-P energy: -39.547
tors. eta vs tors. theta energy: -81.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -833.546771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.546771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.546771 (E_RNA)
where:
Base-Base interactions energy: -565.948
where: short stacking energy: -235.730
Base-Backbone interact. energy: -0.084
local terms energy: -267.514673
where:
bonds (distance) C4'-P energy: -50.961
bonds (distance) P-C4' energy: -49.806
flat angles C4'-P-C4' energy: -60.802
flat angles P-C4'-P energy: -41.019
tors. eta vs tors. theta energy: -64.928
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: 5, replica: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -817.922040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.922040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.922040 (E_RNA)
where:
Base-Base interactions energy: -567.292
where: short stacking energy: -242.893
Base-Backbone interact. energy: -0.286
local terms energy: -250.343458
where:
bonds (distance) C4'-P energy: -52.616
bonds (distance) P-C4' energy: -37.935
flat angles C4'-P-C4' energy: -50.761
flat angles P-C4'-P energy: -39.811
tors. eta vs tors. theta energy: -69.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -798.744366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.744366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.744366 (E_RNA)
where:
Base-Base interactions energy: -548.849
where: short stacking energy: -224.701
Base-Backbone interact. energy: 3.966
local terms energy: -253.861329
where:
bonds (distance) C4'-P energy: -46.689
bonds (distance) P-C4' energy: -48.035
flat angles C4'-P-C4' energy: -52.988
flat angles P-C4'-P energy: -38.304
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: 7, replica: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -729.584595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.584595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.584595 (E_RNA)
where:
Base-Base interactions energy: -504.991
where: short stacking energy: -212.169
Base-Backbone interact. energy: -1.794
local terms energy: -222.798970
where:
bonds (distance) C4'-P energy: -45.032
bonds (distance) P-C4' energy: -47.260
flat angles C4'-P-C4' energy: -46.581
flat angles P-C4'-P energy: -31.611
tors. eta vs tors. theta energy: -52.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -666.130203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.130203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.130203 (E_RNA)
where:
Base-Base interactions energy: -458.139
where: short stacking energy: -205.712
Base-Backbone interact. energy: -0.844
local terms energy: -207.147601
where:
bonds (distance) C4'-P energy: -40.291
bonds (distance) P-C4' energy: -45.068
flat angles C4'-P-C4' energy: -44.694
flat angles P-C4'-P energy: -24.860
tors. eta vs tors. theta energy: -52.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -442.576548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.576548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.576548 (E_RNA)
where:
Base-Base interactions energy: -262.976
where: short stacking energy: -122.080
Base-Backbone interact. energy: -0.453
local terms energy: -179.147544
where:
bonds (distance) C4'-P energy: -45.326
bonds (distance) P-C4' energy: -40.462
flat angles C4'-P-C4' energy: -45.617
flat angles P-C4'-P energy: -28.239
tors. eta vs tors. theta energy: -19.503
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: 118
Temperature: 1.350000
Total energy: -455.392562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.392562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.392562 (E_RNA)
where:
Base-Base interactions energy: -274.598
where: short stacking energy: -139.832
Base-Backbone interact. energy: 0.847
local terms energy: -181.642037
where:
bonds (distance) C4'-P energy: -47.449
bonds (distance) P-C4' energy: -41.122
flat angles C4'-P-C4' energy: -39.979
flat angles P-C4'-P energy: -28.116
tors. eta vs tors. theta energy: -24.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -954.680822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.680822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.680822 (E_RNA)
where:
Base-Base interactions energy: -675.454
where: short stacking energy: -283.153
Base-Backbone interact. energy: -1.063
local terms energy: -278.164289
where:
bonds (distance) C4'-P energy: -48.078
bonds (distance) P-C4' energy: -48.454
flat angles C4'-P-C4' energy: -58.726
flat angles P-C4'-P energy: -43.556
tors. eta vs tors. theta energy: -79.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -920.878396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.878396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.878396 (E_RNA)
where:
Base-Base interactions energy: -650.859
where: short stacking energy: -269.476
Base-Backbone interact. energy: -1.495
local terms energy: -268.524316
where:
bonds (distance) C4'-P energy: -44.618
bonds (distance) P-C4' energy: -43.576
flat angles C4'-P-C4' energy: -57.539
flat angles P-C4'-P energy: -47.462
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: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -882.128843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.128843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.128843 (E_RNA)
where:
Base-Base interactions energy: -598.050
where: short stacking energy: -267.798
Base-Backbone interact. energy: -1.483
local terms energy: -282.595963
where:
bonds (distance) C4'-P energy: -48.150
bonds (distance) P-C4' energy: -54.305
flat angles C4'-P-C4' energy: -56.745
flat angles P-C4'-P energy: -45.697
tors. eta vs tors. theta energy: -77.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -813.069171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.069171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.069171 (E_RNA)
where:
Base-Base interactions energy: -558.506
where: short stacking energy: -215.268
Base-Backbone interact. energy: -0.208
local terms energy: -254.355009
where:
bonds (distance) C4'-P energy: -57.788
bonds (distance) P-C4' energy: -53.597
flat angles C4'-P-C4' energy: -56.234
flat angles P-C4'-P energy: -35.726
tors. eta vs tors. theta energy: -51.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -823.022034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.022034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.022034 (E_RNA)
where:
Base-Base interactions energy: -572.422
where: short stacking energy: -255.996
Base-Backbone interact. energy: 0.169
local terms energy: -250.769044
where:
bonds (distance) C4'-P energy: -38.449
bonds (distance) P-C4' energy: -47.678
flat angles C4'-P-C4' energy: -50.563
flat angles P-C4'-P energy: -37.316
tors. eta vs tors. theta energy: -76.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -767.267407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.267407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.267407 (E_RNA)
where:
Base-Base interactions energy: -525.962
where: short stacking energy: -215.891
Base-Backbone interact. energy: -1.007
local terms energy: -240.298329
where:
bonds (distance) C4'-P energy: -45.707
bonds (distance) P-C4' energy: -49.882
flat angles C4'-P-C4' energy: -50.692
flat angles P-C4'-P energy: -34.178
tors. eta vs tors. theta energy: -59.839
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: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -743.773426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.773426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.773426 (E_RNA)
where:
Base-Base interactions energy: -526.105
where: short stacking energy: -225.598
Base-Backbone interact. energy: -0.772
local terms energy: -216.895843
where:
bonds (distance) C4'-P energy: -42.561
bonds (distance) P-C4' energy: -49.436
flat angles C4'-P-C4' energy: -47.855
flat angles P-C4'-P energy: -26.616
tors. eta vs tors. theta energy: -50.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -682.970749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.970749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.970749 (E_RNA)
where:
Base-Base interactions energy: -474.428
where: short stacking energy: -198.908
Base-Backbone interact. energy: -0.930
local terms energy: -207.612447
where:
bonds (distance) C4'-P energy: -42.532
bonds (distance) P-C4' energy: -40.461
flat angles C4'-P-C4' energy: -47.248
flat angles P-C4'-P energy: -22.319
tors. eta vs tors. theta energy: -55.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -522.198467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.198467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.198467 (E_RNA)
where:
Base-Base interactions energy: -339.877
where: short stacking energy: -145.031
Base-Backbone interact. energy: 0.831
local terms energy: -183.153057
where:
bonds (distance) C4'-P energy: -43.192
bonds (distance) P-C4' energy: -51.182
flat angles C4'-P-C4' energy: -41.125
flat angles P-C4'-P energy: -29.060
tors. eta vs tors. theta energy: -18.593
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: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -412.343852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.343852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.343852 (E_RNA)
where:
Base-Base interactions energy: -227.211
where: short stacking energy: -112.041
Base-Backbone interact. energy: -0.167
local terms energy: -184.965789
where:
bonds (distance) C4'-P energy: -50.509
bonds (distance) P-C4' energy: -45.830
flat angles C4'-P-C4' energy: -44.023
flat angles P-C4'-P energy: -27.848
tors. eta vs tors. theta energy: -16.756
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: 4
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -962.838079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.838079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.838079 (E_RNA)
where:
Base-Base interactions energy: -672.780
where: short stacking energy: -286.559
Base-Backbone interact. energy: -0.813
local terms energy: -289.245055
where:
bonds (distance) C4'-P energy: -50.048
bonds (distance) P-C4' energy: -51.851
flat angles C4'-P-C4' energy: -60.077
flat angles P-C4'-P energy: -44.140
tors. eta vs tors. theta energy: -83.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -900.319906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.319906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.319906 (E_RNA)
where:
Base-Base interactions energy: -624.479
where: short stacking energy: -258.042
Base-Backbone interact. energy: -2.560
local terms energy: -273.281244
where:
bonds (distance) C4'-P energy: -50.801
bonds (distance) P-C4' energy: -44.613
flat angles C4'-P-C4' energy: -62.178
flat angles P-C4'-P energy: -38.402
tors. eta vs tors. theta energy: -77.287
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: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -876.681080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.681080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.681080 (E_RNA)
where:
Base-Base interactions energy: -592.904
where: short stacking energy: -261.697
Base-Backbone interact. energy: -0.173
local terms energy: -283.604462
where:
bonds (distance) C4'-P energy: -48.103
bonds (distance) P-C4' energy: -54.279
flat angles C4'-P-C4' energy: -60.483
flat angles P-C4'-P energy: -43.178
tors. eta vs tors. theta energy: -77.562
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: 7
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -835.242590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.242590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.242590 (E_RNA)
where:
Base-Base interactions energy: -576.199
where: short stacking energy: -251.286
Base-Backbone interact. energy: -0.292
local terms energy: -258.751310
where:
bonds (distance) C4'-P energy: -53.490
bonds (distance) P-C4' energy: -55.210
flat angles C4'-P-C4' energy: -47.670
flat angles P-C4'-P energy: -35.766
tors. eta vs tors. theta energy: -66.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -829.175842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.175842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.175842 (E_RNA)
where:
Base-Base interactions energy: -569.998
where: short stacking energy: -255.102
Base-Backbone interact. energy: -1.971
local terms energy: -257.206855
where:
bonds (distance) C4'-P energy: -42.487
bonds (distance) P-C4' energy: -55.053
flat angles C4'-P-C4' energy: -53.257
flat angles P-C4'-P energy: -33.499
tors. eta vs tors. theta energy: -72.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -798.339807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.339807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.339807 (E_RNA)
where:
Base-Base interactions energy: -539.847
where: short stacking energy: -244.978
Base-Backbone interact. energy: -0.659
local terms energy: -257.833211
where:
bonds (distance) C4'-P energy: -50.127
bonds (distance) P-C4' energy: -53.736
flat angles C4'-P-C4' energy: -49.236
flat angles P-C4'-P energy: -32.499
tors. eta vs tors. theta energy: -72.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -759.200606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.200606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.200606 (E_RNA)
where:
Base-Base interactions energy: -520.967
where: short stacking energy: -232.183
Base-Backbone interact. energy: -0.629
local terms energy: -237.604948
where:
bonds (distance) C4'-P energy: -42.010
bonds (distance) P-C4' energy: -42.631
flat angles C4'-P-C4' energy: -47.936
flat angles P-C4'-P energy: -36.945
tors. eta vs tors. theta energy: -68.084
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: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -651.892954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.892954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.892954 (E_RNA)
where:
Base-Base interactions energy: -443.472
where: short stacking energy: -180.191
Base-Backbone interact. energy: -0.556
local terms energy: -207.865026
where:
bonds (distance) C4'-P energy: -50.336
bonds (distance) P-C4' energy: -46.589
flat angles C4'-P-C4' energy: -42.011
flat angles P-C4'-P energy: -26.581
tors. eta vs tors. theta energy: -42.348
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: 120
Temperature: 1.300000
Total energy: -498.909551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.909551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.909551 (E_RNA)
where:
Base-Base interactions energy: -318.431
where: short stacking energy: -136.787
Base-Backbone interact. energy: 1.418
local terms energy: -181.896434
where:
bonds (distance) C4'-P energy: -41.425
bonds (distance) P-C4' energy: -47.351
flat angles C4'-P-C4' energy: -44.993
flat angles P-C4'-P energy: -27.189
tors. eta vs tors. theta energy: -20.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -430.527764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.527764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.527764 (E_RNA)
where:
Base-Base interactions energy: -249.494
where: short stacking energy: -126.555
Base-Backbone interact. energy: 0.030
local terms energy: -181.063370
where:
bonds (distance) C4'-P energy: -36.152
bonds (distance) P-C4' energy: -43.781
flat angles C4'-P-C4' energy: -44.483
flat angles P-C4'-P energy: -32.735
tors. eta vs tors. theta energy: -23.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -951.377506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.377506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.377506 (E_RNA)
where:
Base-Base interactions energy: -652.089
where: short stacking energy: -280.943
Base-Backbone interact. energy: 0.044
local terms energy: -299.332387
where:
bonds (distance) C4'-P energy: -51.669
bonds (distance) P-C4' energy: -52.840
flat angles C4'-P-C4' energy: -65.510
flat angles P-C4'-P energy: -41.013
tors. eta vs tors. theta energy: -88.300
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: 5
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -897.185393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.185393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.185393 (E_RNA)
where:
Base-Base interactions energy: -617.388
where: short stacking energy: -274.893
Base-Backbone interact. energy: -0.545
local terms energy: -279.252575
where:
bonds (distance) C4'-P energy: -57.896
bonds (distance) P-C4' energy: -53.273
flat angles C4'-P-C4' energy: -56.933
flat angles P-C4'-P energy: -35.966
tors. eta vs tors. theta energy: -75.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -857.222951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.222951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.222951 (E_RNA)
where:
Base-Base interactions energy: -591.278
where: short stacking energy: -249.011
Base-Backbone interact. energy: -1.421
local terms energy: -264.524264
where:
bonds (distance) C4'-P energy: -50.298
bonds (distance) P-C4' energy: -56.597
flat angles C4'-P-C4' energy: -56.550
flat angles P-C4'-P energy: -26.561
tors. eta vs tors. theta energy: -74.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -818.195355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.195355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.195355 (E_RNA)
where:
Base-Base interactions energy: -554.607
where: short stacking energy: -234.932
Base-Backbone interact. energy: -0.994
local terms energy: -262.594416
where:
bonds (distance) C4'-P energy: -54.496
bonds (distance) P-C4' energy: -53.794
flat angles C4'-P-C4' energy: -57.401
flat angles P-C4'-P energy: -32.802
tors. eta vs tors. theta energy: -64.101
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: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -803.988949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.988949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.988949 (E_RNA)
where:
Base-Base interactions energy: -542.348
where: short stacking energy: -221.637
Base-Backbone interact. energy: -0.303
local terms energy: -261.338072
where:
bonds (distance) C4'-P energy: -51.385
bonds (distance) P-C4' energy: -54.150
flat angles C4'-P-C4' energy: -53.105
flat angles P-C4'-P energy: -36.483
tors. eta vs tors. theta energy: -66.215
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: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -808.459816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.459816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.459816 (E_RNA)
where:
Base-Base interactions energy: -552.110
where: short stacking energy: -232.606
Base-Backbone interact. energy: -1.616
local terms energy: -254.734435
where:
bonds (distance) C4'-P energy: -37.210
bonds (distance) P-C4' energy: -54.828
flat angles C4'-P-C4' energy: -61.803
flat angles P-C4'-P energy: -34.792
tors. eta vs tors. theta energy: -66.101
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: 3
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -761.388708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.388708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.388708 (E_RNA)
where:
Base-Base interactions energy: -522.279
where: short stacking energy: -225.784
Base-Backbone interact. energy: -0.658
local terms energy: -238.451545
where:
bonds (distance) C4'-P energy: -40.793
bonds (distance) P-C4' energy: -50.558
flat angles C4'-P-C4' energy: -50.966
flat angles P-C4'-P energy: -32.662
tors. eta vs tors. theta energy: -63.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -700.548916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.548916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.548916 (E_RNA)
where:
Base-Base interactions energy: -468.715
where: short stacking energy: -208.048
Base-Backbone interact. energy: -0.883
local terms energy: -230.950702
where:
bonds (distance) C4'-P energy: -37.517
bonds (distance) P-C4' energy: -49.511
flat angles C4'-P-C4' energy: -48.342
flat angles P-C4'-P energy: -40.954
tors. eta vs tors. theta energy: -54.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -495.836142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.836142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.836142 (E_RNA)
where:
Base-Base interactions energy: -304.254
where: short stacking energy: -149.192
Base-Backbone interact. energy: -1.299
local terms energy: -190.283259
where:
bonds (distance) C4'-P energy: -42.077
bonds (distance) P-C4' energy: -56.707
flat angles C4'-P-C4' energy: -44.182
flat angles P-C4'-P energy: -20.857
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: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -427.272186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.272186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.272186 (E_RNA)
where:
Base-Base interactions energy: -254.426
where: short stacking energy: -138.519
Base-Backbone interact. energy: 1.932
local terms energy: -174.778656
where:
bonds (distance) C4'-P energy: -32.299
bonds (distance) P-C4' energy: -52.159
flat angles C4'-P-C4' energy: -41.835
flat angles P-C4'-P energy: -22.341
tors. eta vs tors. theta energy: -26.145
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: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -969.460709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.460709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.460709 (E_RNA)
where:
Base-Base interactions energy: -675.362
where: short stacking energy: -284.029
Base-Backbone interact. energy: 0.976
local terms energy: -295.075377
where:
bonds (distance) C4'-P energy: -52.668
bonds (distance) P-C4' energy: -51.260
flat angles C4'-P-C4' energy: -63.532
flat angles P-C4'-P energy: -46.209
tors. eta vs tors. theta energy: -81.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -908.679460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.679460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.679460 (E_RNA)
where:
Base-Base interactions energy: -623.083
where: short stacking energy: -281.815
Base-Backbone interact. energy: -0.297
local terms energy: -285.299671
where:
bonds (distance) C4'-P energy: -56.863
bonds (distance) P-C4' energy: -60.008
flat angles C4'-P-C4' energy: -53.749
flat angles P-C4'-P energy: -40.423
tors. eta vs tors. theta energy: -74.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -842.251256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.251256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.251256 (E_RNA)
where:
Base-Base interactions energy: -567.875
where: short stacking energy: -251.831
Base-Backbone interact. energy: -0.208
local terms energy: -274.168314
where:
bonds (distance) C4'-P energy: -57.407
bonds (distance) P-C4' energy: -45.608
flat angles C4'-P-C4' energy: -60.987
flat angles P-C4'-P energy: -40.976
tors. eta vs tors. theta energy: -69.190
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: 9
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -861.264174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.264174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.264174 (E_RNA)
where:
Base-Base interactions energy: -605.682
where: short stacking energy: -245.686
Base-Backbone interact. energy: -1.240
local terms energy: -254.342251
where:
bonds (distance) C4'-P energy: -46.803
bonds (distance) P-C4' energy: -37.317
flat angles C4'-P-C4' energy: -61.827
flat angles P-C4'-P energy: -34.093
tors. eta vs tors. theta energy: -74.304
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: 1
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -853.050068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.050068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.050068 (E_RNA)
where:
Base-Base interactions energy: -606.364
where: short stacking energy: -263.898
Base-Backbone interact. energy: 0.921
local terms energy: -247.606115
where:
bonds (distance) C4'-P energy: -34.822
bonds (distance) P-C4' energy: -40.525
flat angles C4'-P-C4' energy: -58.338
flat angles P-C4'-P energy: -34.964
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: 6, replica: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -813.683476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.683476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.683476 (E_RNA)
where:
Base-Base interactions energy: -555.566
where: short stacking energy: -232.087
Base-Backbone interact. energy: -0.313
local terms energy: -257.803768
where:
bonds (distance) C4'-P energy: -49.273
bonds (distance) P-C4' energy: -43.687
flat angles C4'-P-C4' energy: -51.391
flat angles P-C4'-P energy: -45.328
tors. eta vs tors. theta energy: -68.124
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: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -753.014629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.014629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.014629 (E_RNA)
where:
Base-Base interactions energy: -512.131
where: short stacking energy: -219.823
Base-Backbone interact. energy: -1.205
local terms energy: -239.678130
where:
bonds (distance) C4'-P energy: -46.145
bonds (distance) P-C4' energy: -41.312
flat angles C4'-P-C4' energy: -53.925
flat angles P-C4'-P energy: -34.334
tors. eta vs tors. theta energy: -63.963
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: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -724.530748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.530748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.530748 (E_RNA)
where:
Base-Base interactions energy: -505.186
where: short stacking energy: -204.477
Base-Backbone interact. energy: -0.857
local terms energy: -218.487569
where:
bonds (distance) C4'-P energy: -35.158
bonds (distance) P-C4' energy: -46.016
flat angles C4'-P-C4' energy: -46.639
flat angles P-C4'-P energy: -33.099
tors. eta vs tors. theta energy: -57.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -491.431372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.431372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.431372 (E_RNA)
where:
Base-Base interactions energy: -294.517
where: short stacking energy: -147.650
Base-Backbone interact. energy: 0.592
local terms energy: -197.506712
where:
bonds (distance) C4'-P energy: -47.572
bonds (distance) P-C4' energy: -41.517
flat angles C4'-P-C4' energy: -48.141
flat angles P-C4'-P energy: -27.831
tors. eta vs tors. theta energy: -32.446
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: 122
Temperature: 1.350000
Total energy: -413.397524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.397524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.397524 (E_RNA)
where:
Base-Base interactions energy: -236.517
where: short stacking energy: -130.784
Base-Backbone interact. energy: 3.886
local terms energy: -180.765853
where:
bonds (distance) C4'-P energy: -42.121
bonds (distance) P-C4' energy: -53.947
flat angles C4'-P-C4' energy: -43.504
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -22.019
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: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -970.001800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.001800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.001800 (E_RNA)
where:
Base-Base interactions energy: -676.278
where: short stacking energy: -285.075
Base-Backbone interact. energy: -0.846
local terms energy: -292.877555
where:
bonds (distance) C4'-P energy: -53.227
bonds (distance) P-C4' energy: -53.686
flat angles C4'-P-C4' energy: -59.258
flat angles P-C4'-P energy: -38.916
tors. eta vs tors. theta energy: -87.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -919.209527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.209527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.209527 (E_RNA)
where:
Base-Base interactions energy: -619.332
where: short stacking energy: -278.081
Base-Backbone interact. energy: -0.356
local terms energy: -299.521070
where:
bonds (distance) C4'-P energy: -54.840
bonds (distance) P-C4' energy: -54.816
flat angles C4'-P-C4' energy: -59.564
flat angles P-C4'-P energy: -44.754
tors. eta vs tors. theta energy: -85.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -843.011967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.011967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.011967 (E_RNA)
where:
Base-Base interactions energy: -584.367
where: short stacking energy: -259.737
Base-Backbone interact. energy: -1.025
local terms energy: -257.619627
where:
bonds (distance) C4'-P energy: -37.864
bonds (distance) P-C4' energy: -51.272
flat angles C4'-P-C4' energy: -56.746
flat angles P-C4'-P energy: -40.405
tors. eta vs tors. theta energy: -71.332
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: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -875.429377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.429377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.429377 (E_RNA)
where:
Base-Base interactions energy: -604.286
where: short stacking energy: -251.032
Base-Backbone interact. energy: -0.695
local terms energy: -270.447729
where:
bonds (distance) C4'-P energy: -48.233
bonds (distance) P-C4' energy: -59.925
flat angles C4'-P-C4' energy: -50.002
flat angles P-C4'-P energy: -40.365
tors. eta vs tors. theta energy: -71.923
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: 9
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -853.001431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.001431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.001431 (E_RNA)
where:
Base-Base interactions energy: -579.097
where: short stacking energy: -241.898
Base-Backbone interact. energy: -0.011
local terms energy: -273.894086
where:
bonds (distance) C4'-P energy: -48.614
bonds (distance) P-C4' energy: -57.848
flat angles C4'-P-C4' energy: -56.442
flat angles P-C4'-P energy: -35.035
tors. eta vs tors. theta energy: -75.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -808.677987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.677987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.677987 (E_RNA)
where:
Base-Base interactions energy: -560.720
where: short stacking energy: -233.163
Base-Backbone interact. energy: -0.699
local terms energy: -247.259357
where:
bonds (distance) C4'-P energy: -37.932
bonds (distance) P-C4' energy: -53.189
flat angles C4'-P-C4' energy: -48.426
flat angles P-C4'-P energy: -39.736
tors. eta vs tors. theta energy: -67.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -762.655559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.655559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.655559 (E_RNA)
where:
Base-Base interactions energy: -531.675
where: short stacking energy: -226.252
Base-Backbone interact. energy: -1.248
local terms energy: -229.732397
where:
bonds (distance) C4'-P energy: -39.035
bonds (distance) P-C4' energy: -38.799
flat angles C4'-P-C4' energy: -61.272
flat angles P-C4'-P energy: -29.606
tors. eta vs tors. theta energy: -61.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -723.826737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.826737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.826737 (E_RNA)
where:
Base-Base interactions energy: -506.955
where: short stacking energy: -212.399
Base-Backbone interact. energy: -1.345
local terms energy: -215.526518
where:
bonds (distance) C4'-P energy: -31.393
bonds (distance) P-C4' energy: -46.440
flat angles C4'-P-C4' energy: -51.145
flat angles P-C4'-P energy: -28.089
tors. eta vs tors. theta energy: -58.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -524.839587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.839587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.839587 (E_RNA)
where:
Base-Base interactions energy: -333.667
where: short stacking energy: -155.889
Base-Backbone interact. energy: -0.829
local terms energy: -190.344023
where:
bonds (distance) C4'-P energy: -40.054
bonds (distance) P-C4' energy: -47.862
flat angles C4'-P-C4' energy: -47.604
flat angles P-C4'-P energy: -17.435
tors. eta vs tors. theta energy: -37.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -390.329795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.329795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.329795 (E_RNA)
where:
Base-Base interactions energy: -214.874
where: short stacking energy: -98.368
Base-Backbone interact. energy: 0.377
local terms energy: -175.832843
where:
bonds (distance) C4'-P energy: -45.853
bonds (distance) P-C4' energy: -54.596
flat angles C4'-P-C4' energy: -45.164
flat angles P-C4'-P energy: -21.738
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -952.428329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.428329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.428329 (E_RNA)
where:
Base-Base interactions energy: -668.216
where: short stacking energy: -284.776
Base-Backbone interact. energy: -1.405
local terms energy: -282.807093
where:
bonds (distance) C4'-P energy: -47.434
bonds (distance) P-C4' energy: -52.331
flat angles C4'-P-C4' energy: -56.375
flat angles P-C4'-P energy: -42.660
tors. eta vs tors. theta energy: -84.007
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: 2, replica: 5
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -901.677937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.677937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.677937 (E_RNA)
where:
Base-Base interactions energy: -610.682
where: short stacking energy: -270.283
Base-Backbone interact. energy: -1.835
local terms energy: -289.160426
where:
bonds (distance) C4'-P energy: -52.185
bonds (distance) P-C4' energy: -60.001
flat angles C4'-P-C4' energy: -55.812
flat angles P-C4'-P energy: -41.424
tors. eta vs tors. theta energy: -79.738
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: 1
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -895.815643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.815643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.815643 (E_RNA)
where:
Base-Base interactions energy: -628.588
where: short stacking energy: -260.991
Base-Backbone interact. energy: -0.192
local terms energy: -267.036028
where:
bonds (distance) C4'-P energy: -43.170
bonds (distance) P-C4' energy: -52.176
flat angles C4'-P-C4' energy: -51.161
flat angles P-C4'-P energy: -41.542
tors. eta vs tors. theta energy: -78.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -848.708978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.708978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.708978 (E_RNA)
where:
Base-Base interactions energy: -595.191
where: short stacking energy: -258.191
Base-Backbone interact. energy: 0.119
local terms energy: -253.637098
where:
bonds (distance) C4'-P energy: -45.080
bonds (distance) P-C4' energy: -43.215
flat angles C4'-P-C4' energy: -56.241
flat angles P-C4'-P energy: -38.113
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: 5, replica: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -837.510541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.510541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.510541 (E_RNA)
where:
Base-Base interactions energy: -570.027
where: short stacking energy: -232.834
Base-Backbone interact. energy: -1.573
local terms energy: -265.910077
where:
bonds (distance) C4'-P energy: -46.284
bonds (distance) P-C4' energy: -52.360
flat angles C4'-P-C4' energy: -56.589
flat angles P-C4'-P energy: -37.937
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: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -790.931286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.931286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.931286 (E_RNA)
where:
Base-Base interactions energy: -548.882
where: short stacking energy: -232.528
Base-Backbone interact. energy: 2.670
local terms energy: -244.719251
where:
bonds (distance) C4'-P energy: -45.492
bonds (distance) P-C4' energy: -45.311
flat angles C4'-P-C4' energy: -51.015
flat angles P-C4'-P energy: -36.044
tors. eta vs tors. theta energy: -66.857
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: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -769.717839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.717839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.717839 (E_RNA)
where:
Base-Base interactions energy: -544.835
where: short stacking energy: -215.552
Base-Backbone interact. energy: 1.737
local terms energy: -226.618943
where:
bonds (distance) C4'-P energy: -40.291
bonds (distance) P-C4' energy: -56.826
flat angles C4'-P-C4' energy: -44.497
flat angles P-C4'-P energy: -24.216
tors. eta vs tors. theta energy: -60.789
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: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -705.068589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.068589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.068589 (E_RNA)
where:
Base-Base interactions energy: -491.477
where: short stacking energy: -210.241
Base-Backbone interact. energy: -0.703
local terms energy: -212.889060
where:
bonds (distance) C4'-P energy: -34.519
bonds (distance) P-C4' energy: -47.983
flat angles C4'-P-C4' energy: -43.429
flat angles P-C4'-P energy: -30.019
tors. eta vs tors. theta energy: -56.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -578.842351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.842351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.842351 (E_RNA)
where:
Base-Base interactions energy: -367.252
where: short stacking energy: -166.202
Base-Backbone interact. energy: 0.169
local terms energy: -211.760231
where:
bonds (distance) C4'-P energy: -45.459
bonds (distance) P-C4' energy: -44.482
flat angles C4'-P-C4' energy: -47.630
flat angles P-C4'-P energy: -33.649
tors. eta vs tors. theta energy: -40.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -402.085562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.085562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.085562 (E_RNA)
where:
Base-Base interactions energy: -215.569
where: short stacking energy: -96.826
Base-Backbone interact. energy: -0.982
local terms energy: -185.535038
where:
bonds (distance) C4'-P energy: -47.992
bonds (distance) P-C4' energy: -47.573
flat angles C4'-P-C4' energy: -45.395
flat angles P-C4'-P energy: -25.040
tors. eta vs tors. theta energy: -19.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -972.243291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.243291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.243291 (E_RNA)
where:
Base-Base interactions energy: -667.780
where: short stacking energy: -291.098
Base-Backbone interact. energy: -1.327
local terms energy: -303.135800
where:
bonds (distance) C4'-P energy: -57.086
bonds (distance) P-C4' energy: -50.151
flat angles C4'-P-C4' energy: -63.298
flat angles P-C4'-P energy: -48.311
tors. eta vs tors. theta energy: -84.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -904.670515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.670515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.670515 (E_RNA)
where:
Base-Base interactions energy: -608.397
where: short stacking energy: -265.058
Base-Backbone interact. energy: -1.360
local terms energy: -294.913933
where:
bonds (distance) C4'-P energy: -55.413
bonds (distance) P-C4' energy: -53.141
flat angles C4'-P-C4' energy: -63.865
flat angles P-C4'-P energy: -43.550
tors. eta vs tors. theta energy: -78.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -882.160390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.160390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.160390 (E_RNA)
where:
Base-Base interactions energy: -606.831
where: short stacking energy: -264.906
Base-Backbone interact. energy: 0.186
local terms energy: -275.515620
where:
bonds (distance) C4'-P energy: -45.879
bonds (distance) P-C4' energy: -46.598
flat angles C4'-P-C4' energy: -58.875
flat angles P-C4'-P energy: -43.848
tors. eta vs tors. theta energy: -80.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -851.811206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.811206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.811206 (E_RNA)
where:
Base-Base interactions energy: -590.600
where: short stacking energy: -261.553
Base-Backbone interact. energy: 1.263
local terms energy: -262.473613
where:
bonds (distance) C4'-P energy: -51.528
bonds (distance) P-C4' energy: -43.533
flat angles C4'-P-C4' energy: -56.389
flat angles P-C4'-P energy: -35.191
tors. eta vs tors. theta energy: -75.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -812.567279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.567279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.567279 (E_RNA)
where:
Base-Base interactions energy: -560.727
where: short stacking energy: -247.935
Base-Backbone interact. energy: -1.001
local terms energy: -250.839265
where:
bonds (distance) C4'-P energy: -51.023
bonds (distance) P-C4' energy: -40.633
flat angles C4'-P-C4' energy: -54.725
flat angles P-C4'-P energy: -37.531
tors. eta vs tors. theta energy: -66.928
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: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -798.066504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.066504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.066504 (E_RNA)
where:
Base-Base interactions energy: -561.779
where: short stacking energy: -251.127
Base-Backbone interact. energy: 0.770
local terms energy: -237.057551
where:
bonds (distance) C4'-P energy: -34.227
bonds (distance) P-C4' energy: -42.256
flat angles C4'-P-C4' energy: -54.836
flat angles P-C4'-P energy: -36.744
tors. eta vs tors. theta energy: -68.994
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: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -754.323620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.323620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.323620 (E_RNA)
where:
Base-Base interactions energy: -514.670
where: short stacking energy: -227.500
Base-Backbone interact. energy: -1.415
local terms energy: -238.238275
where:
bonds (distance) C4'-P energy: -40.697
bonds (distance) P-C4' energy: -49.114
flat angles C4'-P-C4' energy: -55.618
flat angles P-C4'-P energy: -23.910
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: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -722.027816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.027816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.027816 (E_RNA)
where:
Base-Base interactions energy: -493.757
where: short stacking energy: -190.244
Base-Backbone interact. energy: -0.309
local terms energy: -227.961906
where:
bonds (distance) C4'-P energy: -45.851
bonds (distance) P-C4' energy: -37.921
flat angles C4'-P-C4' energy: -52.169
flat angles P-C4'-P energy: -36.018
tors. eta vs tors. theta energy: -56.003
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: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -598.370324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.370324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.370324 (E_RNA)
where:
Base-Base interactions energy: -381.590
where: short stacking energy: -160.078
Base-Backbone interact. energy: -2.962
local terms energy: -213.817727
where:
bonds (distance) C4'-P energy: -46.986
bonds (distance) P-C4' energy: -46.609
flat angles C4'-P-C4' energy: -49.019
flat angles P-C4'-P energy: -30.288
tors. eta vs tors. theta energy: -40.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -365.273125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.273125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.273125 (E_RNA)
where:
Base-Base interactions energy: -197.605
where: short stacking energy: -96.876
Base-Backbone interact. energy: -0.094
local terms energy: -167.574145
where:
bonds (distance) C4'-P energy: -36.898
bonds (distance) P-C4' energy: -50.821
flat angles C4'-P-C4' energy: -43.499
flat angles P-C4'-P energy: -29.077
tors. eta vs tors. theta energy: -7.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -968.575222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.575222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.575222 (E_RNA)
where:
Base-Base interactions energy: -673.148
where: short stacking energy: -286.029
Base-Backbone interact. energy: -2.579
local terms energy: -292.848567
where:
bonds (distance) C4'-P energy: -49.526
bonds (distance) P-C4' energy: -60.685
flat angles C4'-P-C4' energy: -58.301
flat angles P-C4'-P energy: -40.859
tors. eta vs tors. theta energy: -83.477
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: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -907.792467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.792467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.792467 (E_RNA)
where:
Base-Base interactions energy: -624.090
where: short stacking energy: -274.880
Base-Backbone interact. energy: 0.549
local terms energy: -284.251339
where:
bonds (distance) C4'-P energy: -54.012
bonds (distance) P-C4' energy: -55.813
flat angles C4'-P-C4' energy: -58.554
flat angles P-C4'-P energy: -34.788
tors. eta vs tors. theta energy: -81.084
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: 126
Temperature: 1.000000
Total energy: -884.175617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.175617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.175617 (E_RNA)
where:
Base-Base interactions energy: -606.097
where: short stacking energy: -260.540
Base-Backbone interact. energy: -0.463
local terms energy: -277.615479
where:
bonds (distance) C4'-P energy: -53.338
bonds (distance) P-C4' energy: -55.667
flat angles C4'-P-C4' energy: -57.548
flat angles P-C4'-P energy: -36.256
tors. eta vs tors. theta energy: -74.805
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: 9
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -887.637361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.637361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.637361 (E_RNA)
where:
Base-Base interactions energy: -611.861
where: short stacking energy: -256.206
Base-Backbone interact. energy: -0.786
local terms energy: -274.990737
where:
bonds (distance) C4'-P energy: -33.013
bonds (distance) P-C4' energy: -54.870
flat angles C4'-P-C4' energy: -60.261
flat angles P-C4'-P energy: -46.755
tors. eta vs tors. theta energy: -80.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -803.851635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.851635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.851635 (E_RNA)
where:
Base-Base interactions energy: -550.399
where: short stacking energy: -224.626
Base-Backbone interact. energy: -0.311
local terms energy: -253.141662
where:
bonds (distance) C4'-P energy: -41.529
bonds (distance) P-C4' energy: -52.310
flat angles C4'-P-C4' energy: -51.844
flat angles P-C4'-P energy: -45.268
tors. eta vs tors. theta energy: -62.191
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: 126
Temperature: 1.150000
Total energy: -764.630633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.630633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.630633 (E_RNA)
where:
Base-Base interactions energy: -534.356
where: short stacking energy: -224.447
Base-Backbone interact. energy: 5.478
local terms energy: -235.752181
where:
bonds (distance) C4'-P energy: -48.193
bonds (distance) P-C4' energy: -53.053
flat angles C4'-P-C4' energy: -48.326
flat angles P-C4'-P energy: -33.076
tors. eta vs tors. theta energy: -53.104
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: 7, replica: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -734.970541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.970541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.970541 (E_RNA)
where:
Base-Base interactions energy: -494.951
where: short stacking energy: -211.111
Base-Backbone interact. energy: 0.570
local terms energy: -240.589355
where:
bonds (distance) C4'-P energy: -52.399
bonds (distance) P-C4' energy: -38.081
flat angles C4'-P-C4' energy: -54.860
flat angles P-C4'-P energy: -34.647
tors. eta vs tors. theta energy: -60.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -719.379702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.379702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.379702 (E_RNA)
where:
Base-Base interactions energy: -504.805
where: short stacking energy: -182.970
Base-Backbone interact. energy: -1.379
local terms energy: -213.196399
where:
bonds (distance) C4'-P energy: -37.519
bonds (distance) P-C4' energy: -40.231
flat angles C4'-P-C4' energy: -49.712
flat angles P-C4'-P energy: -37.498
tors. eta vs tors. theta energy: -48.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -572.465001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.465001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.465001 (E_RNA)
where:
Base-Base interactions energy: -373.445
where: short stacking energy: -163.484
Base-Backbone interact. energy: -1.187
local terms energy: -197.833555
where:
bonds (distance) C4'-P energy: -42.340
bonds (distance) P-C4' energy: -43.236
flat angles C4'-P-C4' energy: -43.114
flat angles P-C4'-P energy: -29.606
tors. eta vs tors. theta energy: -39.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -402.382890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.382890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.382890 (E_RNA)
where:
Base-Base interactions energy: -233.839
where: short stacking energy: -98.101
Base-Backbone interact. energy: -1.120
local terms energy: -167.424516
where:
bonds (distance) C4'-P energy: -41.898
bonds (distance) P-C4' energy: -41.892
flat angles C4'-P-C4' energy: -42.432
flat angles P-C4'-P energy: -26.446
tors. eta vs tors. theta energy: -14.757
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: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -954.810594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.810594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.810594 (E_RNA)
where:
Base-Base interactions energy: -656.784
where: short stacking energy: -293.292
Base-Backbone interact. energy: -0.508
local terms energy: -297.518114
where:
bonds (distance) C4'-P energy: -52.708
bonds (distance) P-C4' energy: -55.333
flat angles C4'-P-C4' energy: -63.395
flat angles P-C4'-P energy: -44.244
tors. eta vs tors. theta energy: -81.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -908.458443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.458443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.458443 (E_RNA)
where:
Base-Base interactions energy: -617.383
where: short stacking energy: -264.866
Base-Backbone interact. energy: -1.316
local terms energy: -289.759169
where:
bonds (distance) C4'-P energy: -54.414
bonds (distance) P-C4' energy: -57.888
flat angles C4'-P-C4' energy: -59.552
flat angles P-C4'-P energy: -40.462
tors. eta vs tors. theta energy: -77.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -895.427313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.427313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.427313 (E_RNA)
where:
Base-Base interactions energy: -619.267
where: short stacking energy: -266.903
Base-Backbone interact. energy: 0.200
local terms energy: -276.359789
where:
bonds (distance) C4'-P energy: -40.506
bonds (distance) P-C4' energy: -51.359
flat angles C4'-P-C4' energy: -59.070
flat angles P-C4'-P energy: -46.508
tors. eta vs tors. theta energy: -78.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -867.492923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.492923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.492923 (E_RNA)
where:
Base-Base interactions energy: -600.553
where: short stacking energy: -269.993
Base-Backbone interact. energy: -0.342
local terms energy: -266.597731
where:
bonds (distance) C4'-P energy: -48.172
bonds (distance) P-C4' energy: -44.643
flat angles C4'-P-C4' energy: -57.488
flat angles P-C4'-P energy: -34.924
tors. eta vs tors. theta energy: -81.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -819.784349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.784349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.784349 (E_RNA)
where:
Base-Base interactions energy: -551.331
where: short stacking energy: -234.009
Base-Backbone interact. energy: 0.752
local terms energy: -269.205769
where:
bonds (distance) C4'-P energy: -41.410
bonds (distance) P-C4' energy: -54.201
flat angles C4'-P-C4' energy: -58.925
flat angles P-C4'-P energy: -46.420
tors. eta vs tors. theta energy: -68.249
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: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -775.083447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.083447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.083447 (E_RNA)
where:
Base-Base interactions energy: -532.252
where: short stacking energy: -236.654
Base-Backbone interact. energy: 0.249
local terms energy: -243.079655
where:
bonds (distance) C4'-P energy: -36.364
bonds (distance) P-C4' energy: -54.198
flat angles C4'-P-C4' energy: -55.118
flat angles P-C4'-P energy: -38.841
tors. eta vs tors. theta energy: -58.559
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: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -741.785290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.785290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.785290 (E_RNA)
where:
Base-Base interactions energy: -512.187
where: short stacking energy: -208.993
Base-Backbone interact. energy: -0.916
local terms energy: -228.681690
where:
bonds (distance) C4'-P energy: -39.994
bonds (distance) P-C4' energy: -45.560
flat angles C4'-P-C4' energy: -55.770
flat angles P-C4'-P energy: -30.575
tors. eta vs tors. theta energy: -56.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -739.087356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.087356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.087356 (E_RNA)
where:
Base-Base interactions energy: -513.253
where: short stacking energy: -213.663
Base-Backbone interact. energy: 0.135
local terms energy: -225.969488
where:
bonds (distance) C4'-P energy: -50.924
bonds (distance) P-C4' energy: -45.172
flat angles C4'-P-C4' energy: -45.145
flat angles P-C4'-P energy: -26.112
tors. eta vs tors. theta energy: -58.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -557.929020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.929020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.929020 (E_RNA)
where:
Base-Base interactions energy: -357.644
where: short stacking energy: -148.058
Base-Backbone interact. energy: -1.567
local terms energy: -198.717877
where:
bonds (distance) C4'-P energy: -48.878
bonds (distance) P-C4' energy: -47.585
flat angles C4'-P-C4' energy: -53.524
flat angles P-C4'-P energy: -20.131
tors. eta vs tors. theta energy: -28.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -417.384132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.384132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.384132 (E_RNA)
where:
Base-Base interactions energy: -243.595
where: short stacking energy: -116.752
Base-Backbone interact. energy: 2.676
local terms energy: -176.465799
where:
bonds (distance) C4'-P energy: -38.039
bonds (distance) P-C4' energy: -46.398
flat angles C4'-P-C4' energy: -51.793
flat angles P-C4'-P energy: -21.240
tors. eta vs tors. theta energy: -18.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -907.664322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.664322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.664322 (E_RNA)
where:
Base-Base interactions energy: -612.829
where: short stacking energy: -258.215
Base-Backbone interact. energy: -0.542
local terms energy: -294.292645
where:
bonds (distance) C4'-P energy: -59.433
bonds (distance) P-C4' energy: -57.613
flat angles C4'-P-C4' energy: -60.541
flat angles P-C4'-P energy: -39.043
tors. eta vs tors. theta energy: -77.662
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: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -937.521075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.521075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.521075 (E_RNA)
where:
Base-Base interactions energy: -665.926
where: short stacking energy: -290.211
Base-Backbone interact. energy: -1.942
local terms energy: -269.653084
where:
bonds (distance) C4'-P energy: -41.707
bonds (distance) P-C4' energy: -51.969
flat angles C4'-P-C4' energy: -56.549
flat angles P-C4'-P energy: -34.875
tors. eta vs tors. theta energy: -84.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -893.684958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.684958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.684958 (E_RNA)
where:
Base-Base interactions energy: -623.422
where: short stacking energy: -266.021
Base-Backbone interact. energy: 0.993
local terms energy: -271.255397
where:
bonds (distance) C4'-P energy: -58.418
bonds (distance) P-C4' energy: -45.156
flat angles C4'-P-C4' energy: -49.818
flat angles P-C4'-P energy: -36.298
tors. eta vs tors. theta energy: -81.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -884.287049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.287049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.287049 (E_RNA)
where:
Base-Base interactions energy: -602.260
where: short stacking energy: -256.767
Base-Backbone interact. energy: -1.844
local terms energy: -280.182867
where:
bonds (distance) C4'-P energy: -51.167
bonds (distance) P-C4' energy: -55.699
flat angles C4'-P-C4' energy: -54.270
flat angles P-C4'-P energy: -40.683
tors. eta vs tors. theta energy: -78.364
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: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -791.475509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.475509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.475509 (E_RNA)
where:
Base-Base interactions energy: -527.734
where: short stacking energy: -221.447
Base-Backbone interact. energy: -0.728
local terms energy: -263.012719
where:
bonds (distance) C4'-P energy: -54.136
bonds (distance) P-C4' energy: -44.209
flat angles C4'-P-C4' energy: -55.790
flat angles P-C4'-P energy: -39.766
tors. eta vs tors. theta energy: -69.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -785.503186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.503186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.503186 (E_RNA)
where:
Base-Base interactions energy: -545.084
where: short stacking energy: -228.088
Base-Backbone interact. energy: -0.845
local terms energy: -239.574318
where:
bonds (distance) C4'-P energy: -49.780
bonds (distance) P-C4' energy: -49.113
flat angles C4'-P-C4' energy: -48.421
flat angles P-C4'-P energy: -26.678
tors. eta vs tors. theta energy: -65.582
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: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -758.646200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.646200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.646200 (E_RNA)
where:
Base-Base interactions energy: -519.166
where: short stacking energy: -219.549
Base-Backbone interact. energy: -1.054
local terms energy: -238.425905
where:
bonds (distance) C4'-P energy: -46.807
bonds (distance) P-C4' energy: -46.925
flat angles C4'-P-C4' energy: -43.904
flat angles P-C4'-P energy: -35.473
tors. eta vs tors. theta energy: -65.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -718.602607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.602607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.602607 (E_RNA)
where:
Base-Base interactions energy: -505.601
where: short stacking energy: -222.997
Base-Backbone interact. energy: -0.378
local terms energy: -212.623890
where:
bonds (distance) C4'-P energy: -43.877
bonds (distance) P-C4' energy: -47.601
flat angles C4'-P-C4' energy: -49.227
flat angles P-C4'-P energy: -21.032
tors. eta vs tors. theta energy: -50.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -563.061281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.061281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.061281 (E_RNA)
where:
Base-Base interactions energy: -383.139
where: short stacking energy: -167.835
Base-Backbone interact. energy: -1.034
local terms energy: -178.888730
where:
bonds (distance) C4'-P energy: -41.138
bonds (distance) P-C4' energy: -29.733
flat angles C4'-P-C4' energy: -41.124
flat angles P-C4'-P energy: -27.433
tors. eta vs tors. theta energy: -39.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -427.789320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.789320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.789320 (E_RNA)
where:
Base-Base interactions energy: -262.689
where: short stacking energy: -116.778
Base-Backbone interact. energy: -0.615
local terms energy: -164.485865
where:
bonds (distance) C4'-P energy: -34.721
bonds (distance) P-C4' energy: -39.014
flat angles C4'-P-C4' energy: -48.906
flat angles P-C4'-P energy: -24.815
tors. eta vs tors. theta energy: -17.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -911.495754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.495754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.495754 (E_RNA)
where:
Base-Base interactions energy: -623.707
where: short stacking energy: -267.849
Base-Backbone interact. energy: -1.175
local terms energy: -286.613313
where:
bonds (distance) C4'-P energy: -53.834
bonds (distance) P-C4' energy: -53.025
flat angles C4'-P-C4' energy: -57.490
flat angles P-C4'-P energy: -41.568
tors. eta vs tors. theta energy: -80.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -907.076631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.076631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.076631 (E_RNA)
where:
Base-Base interactions energy: -625.031
where: short stacking energy: -276.390
Base-Backbone interact. energy: -0.960
local terms energy: -281.086088
where:
bonds (distance) C4'-P energy: -47.954
bonds (distance) P-C4' energy: -50.161
flat angles C4'-P-C4' energy: -62.404
flat angles P-C4'-P energy: -35.867
tors. eta vs tors. theta energy: -84.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -912.475140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.475140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.475140 (E_RNA)
where:
Base-Base interactions energy: -639.404
where: short stacking energy: -272.813
Base-Backbone interact. energy: -1.155
local terms energy: -271.915661
where:
bonds (distance) C4'-P energy: -53.473
bonds (distance) P-C4' energy: -47.742
flat angles C4'-P-C4' energy: -57.077
flat angles P-C4'-P energy: -34.085
tors. eta vs tors. theta energy: -79.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -874.188290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.188290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.188290 (E_RNA)
where:
Base-Base interactions energy: -601.801
where: short stacking energy: -253.162
Base-Backbone interact. energy: -1.900
local terms energy: -270.486519
where:
bonds (distance) C4'-P energy: -48.176
bonds (distance) P-C4' energy: -45.861
flat angles C4'-P-C4' energy: -56.398
flat angles P-C4'-P energy: -42.753
tors. eta vs tors. theta energy: -77.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -773.227471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.227471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.227471 (E_RNA)
where:
Base-Base interactions energy: -548.154
where: short stacking energy: -237.412
Base-Backbone interact. energy: -0.531
local terms energy: -224.542335
where:
bonds (distance) C4'-P energy: -36.708
bonds (distance) P-C4' energy: -42.551
flat angles C4'-P-C4' energy: -52.712
flat angles P-C4'-P energy: -35.340
tors. eta vs tors. theta energy: -57.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -794.689824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.689824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.689824 (E_RNA)
where:
Base-Base interactions energy: -555.431
where: short stacking energy: -216.271
Base-Backbone interact. energy: -1.164
local terms energy: -238.094894
where:
bonds (distance) C4'-P energy: -46.680
bonds (distance) P-C4' energy: -42.676
flat angles C4'-P-C4' energy: -55.639
flat angles P-C4'-P energy: -30.651
tors. eta vs tors. theta energy: -62.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -756.536253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.536253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.536253 (E_RNA)
where:
Base-Base interactions energy: -545.768
where: short stacking energy: -235.681
Base-Backbone interact. energy: -0.850
local terms energy: -209.918357
where:
bonds (distance) C4'-P energy: -22.156
bonds (distance) P-C4' energy: -46.726
flat angles C4'-P-C4' energy: -46.169
flat angles P-C4'-P energy: -34.519
tors. eta vs tors. theta energy: -60.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -763.840684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.840684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.840684 (E_RNA)
where:
Base-Base interactions energy: -538.473
where: short stacking energy: -226.583
Base-Backbone interact. energy: 0.125
local terms energy: -225.492811
where:
bonds (distance) C4'-P energy: -40.425
bonds (distance) P-C4' energy: -40.349
flat angles C4'-P-C4' energy: -45.933
flat angles P-C4'-P energy: -31.868
tors. eta vs tors. theta energy: -66.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -546.854384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.854384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.854384 (E_RNA)
where:
Base-Base interactions energy: -369.341
where: short stacking energy: -168.483
Base-Backbone interact. energy: 0.450
local terms energy: -177.963379
where:
bonds (distance) C4'-P energy: -44.428
bonds (distance) P-C4' energy: -40.397
flat angles C4'-P-C4' energy: -39.458
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -33.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -370.568268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.568268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.568268 (E_RNA)
where:
Base-Base interactions energy: -203.921
where: short stacking energy: -90.708
Base-Backbone interact. energy: -1.338
local terms energy: -165.309476
where:
bonds (distance) C4'-P energy: -48.829
bonds (distance) P-C4' energy: -45.990
flat angles C4'-P-C4' energy: -37.507
flat angles P-C4'-P energy: -21.944
tors. eta vs tors. theta energy: -11.039
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: 130
Temperature: 0.900000
Total energy: -916.884776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.884776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.884776 (E_RNA)
where:
Base-Base interactions energy: -628.338
where: short stacking energy: -292.087
Base-Backbone interact. energy: -0.250
local terms energy: -288.296894
where:
bonds (distance) C4'-P energy: -48.216
bonds (distance) P-C4' energy: -50.670
flat angles C4'-P-C4' energy: -60.937
flat angles P-C4'-P energy: -45.528
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: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -909.657612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.657612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.657612 (E_RNA)
where:
Base-Base interactions energy: -624.290
where: short stacking energy: -270.396
Base-Backbone interact. energy: -0.540
local terms energy: -284.827807
where:
bonds (distance) C4'-P energy: -52.053
bonds (distance) P-C4' energy: -58.362
flat angles C4'-P-C4' energy: -61.309
flat angles P-C4'-P energy: -33.086
tors. eta vs tors. theta energy: -80.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -894.877584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.877584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.877584 (E_RNA)
where:
Base-Base interactions energy: -632.465
where: short stacking energy: -256.400
Base-Backbone interact. energy: -1.364
local terms energy: -261.048380
where:
bonds (distance) C4'-P energy: -45.595
bonds (distance) P-C4' energy: -56.035
flat angles C4'-P-C4' energy: -49.766
flat angles P-C4'-P energy: -35.198
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: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -882.487948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.487948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.487948 (E_RNA)
where:
Base-Base interactions energy: -611.187
where: short stacking energy: -257.496
Base-Backbone interact. energy: -1.006
local terms energy: -270.294715
where:
bonds (distance) C4'-P energy: -46.362
bonds (distance) P-C4' energy: -45.588
flat angles C4'-P-C4' energy: -60.754
flat angles P-C4'-P energy: -42.982
tors. eta vs tors. theta energy: -74.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -809.171173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.171173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.171173 (E_RNA)
where:
Base-Base interactions energy: -550.530
where: short stacking energy: -231.980
Base-Backbone interact. energy: -0.421
local terms energy: -258.220460
where:
bonds (distance) C4'-P energy: -45.282
bonds (distance) P-C4' energy: -48.563
flat angles C4'-P-C4' energy: -58.498
flat angles P-C4'-P energy: -41.767
tors. eta vs tors. theta energy: -64.111
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: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -791.678802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.678802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.678802 (E_RNA)
where:
Base-Base interactions energy: -548.867
where: short stacking energy: -235.825
Base-Backbone interact. energy: -1.478
local terms energy: -241.334314
where:
bonds (distance) C4'-P energy: -49.937
bonds (distance) P-C4' energy: -47.429
flat angles C4'-P-C4' energy: -50.471
flat angles P-C4'-P energy: -31.134
tors. eta vs tors. theta energy: -62.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -769.968442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.968442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.968442 (E_RNA)
where:
Base-Base interactions energy: -525.081
where: short stacking energy: -219.370
Base-Backbone interact. energy: -0.541
local terms energy: -244.346676
where:
bonds (distance) C4'-P energy: -49.545
bonds (distance) P-C4' energy: -51.803
flat angles C4'-P-C4' energy: -49.768
flat angles P-C4'-P energy: -34.574
tors. eta vs tors. theta energy: -58.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -727.425786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.425786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.425786 (E_RNA)
where:
Base-Base interactions energy: -503.522
where: short stacking energy: -212.819
Base-Backbone interact. energy: 0.660
local terms energy: -224.562892
where:
bonds (distance) C4'-P energy: -32.679
bonds (distance) P-C4' energy: -40.186
flat angles C4'-P-C4' energy: -54.076
flat angles P-C4'-P energy: -36.961
tors. eta vs tors. theta energy: -60.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -553.330313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.330313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.330313 (E_RNA)
where:
Base-Base interactions energy: -374.935
where: short stacking energy: -160.662
Base-Backbone interact. energy: -0.759
local terms energy: -177.636264
where:
bonds (distance) C4'-P energy: -32.651
bonds (distance) P-C4' energy: -35.660
flat angles C4'-P-C4' energy: -46.053
flat angles P-C4'-P energy: -26.494
tors. eta vs tors. theta energy: -36.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -367.194250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.194250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.194250 (E_RNA)
where:
Base-Base interactions energy: -214.568
where: short stacking energy: -95.689
Base-Backbone interact. energy: -0.107
local terms energy: -152.519770
where:
bonds (distance) C4'-P energy: -29.990
bonds (distance) P-C4' energy: -48.729
flat angles C4'-P-C4' energy: -45.278
flat angles P-C4'-P energy: -27.750
tors. eta vs tors. theta energy: -0.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -928.558293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.558293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.558293 (E_RNA)
where:
Base-Base interactions energy: -641.670
where: short stacking energy: -293.014
Base-Backbone interact. energy: -0.883
local terms energy: -286.005423
where:
bonds (distance) C4'-P energy: -50.992
bonds (distance) P-C4' energy: -46.285
flat angles C4'-P-C4' energy: -60.914
flat angles P-C4'-P energy: -46.502
tors. eta vs tors. theta energy: -81.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -928.700246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.700246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.700246 (E_RNA)
where:
Base-Base interactions energy: -635.455
where: short stacking energy: -276.080
Base-Backbone interact. energy: 0.182
local terms energy: -293.427264
where:
bonds (distance) C4'-P energy: -51.796
bonds (distance) P-C4' energy: -58.765
flat angles C4'-P-C4' energy: -55.758
flat angles P-C4'-P energy: -41.309
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: 3, replica: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -906.884282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.884282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.884282 (E_RNA)
where:
Base-Base interactions energy: -635.770
where: short stacking energy: -283.874
Base-Backbone interact. energy: 0.332
local terms energy: -271.446198
where:
bonds (distance) C4'-P energy: -55.407
bonds (distance) P-C4' energy: -37.451
flat angles C4'-P-C4' energy: -57.516
flat angles P-C4'-P energy: -38.846
tors. eta vs tors. theta energy: -82.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -874.114779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.114779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.114779 (E_RNA)
where:
Base-Base interactions energy: -619.997
where: short stacking energy: -260.416
Base-Backbone interact. energy: -0.651
local terms energy: -253.467033
where:
bonds (distance) C4'-P energy: -41.628
bonds (distance) P-C4' energy: -44.816
flat angles C4'-P-C4' energy: -57.811
flat angles P-C4'-P energy: -40.921
tors. eta vs tors. theta energy: -68.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -825.914071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.914071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.914071 (E_RNA)
where:
Base-Base interactions energy: -560.940
where: short stacking energy: -246.320
Base-Backbone interact. energy: -0.206
local terms energy: -264.767879
where:
bonds (distance) C4'-P energy: -46.002
bonds (distance) P-C4' energy: -46.675
flat angles C4'-P-C4' energy: -58.083
flat angles P-C4'-P energy: -40.676
tors. eta vs tors. theta energy: -73.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -796.009600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.009600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.009600 (E_RNA)
where:
Base-Base interactions energy: -541.272
where: short stacking energy: -234.158
Base-Backbone interact. energy: -0.469
local terms energy: -254.268038
where:
bonds (distance) C4'-P energy: -44.567
bonds (distance) P-C4' energy: -50.946
flat angles C4'-P-C4' energy: -51.305
flat angles P-C4'-P energy: -41.584
tors. eta vs tors. theta energy: -65.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -759.950688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.950688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.950688 (E_RNA)
where:
Base-Base interactions energy: -532.280
where: short stacking energy: -205.045
Base-Backbone interact. energy: -0.584
local terms energy: -227.086418
where:
bonds (distance) C4'-P energy: -29.198
bonds (distance) P-C4' energy: -51.078
flat angles C4'-P-C4' energy: -49.513
flat angles P-C4'-P energy: -36.589
tors. eta vs tors. theta energy: -60.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -740.336126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.336126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.336126 (E_RNA)
where:
Base-Base interactions energy: -511.558
where: short stacking energy: -225.984
Base-Backbone interact. energy: 1.928
local terms energy: -230.706233
where:
bonds (distance) C4'-P energy: -40.022
bonds (distance) P-C4' energy: -40.047
flat angles C4'-P-C4' energy: -47.603
flat angles P-C4'-P energy: -41.051
tors. eta vs tors. theta energy: -61.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -548.608747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.608747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.608747 (E_RNA)
where:
Base-Base interactions energy: -350.965
where: short stacking energy: -154.561
Base-Backbone interact. energy: -0.078
local terms energy: -197.565173
where:
bonds (distance) C4'-P energy: -35.764
bonds (distance) P-C4' energy: -48.000
flat angles C4'-P-C4' energy: -51.883
flat angles P-C4'-P energy: -29.720
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: 131
Temperature: 1.350000
Total energy: -378.545213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.545213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.545213 (E_RNA)
where:
Base-Base interactions energy: -228.477
where: short stacking energy: -110.786
Base-Backbone interact. energy: 3.240
local terms energy: -153.307918
where:
bonds (distance) C4'-P energy: -36.050
bonds (distance) P-C4' energy: -51.902
flat angles C4'-P-C4' energy: -32.339
flat angles P-C4'-P energy: -24.895
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -925.618187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.618187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.618187 (E_RNA)
where:
Base-Base interactions energy: -626.040
where: short stacking energy: -274.347
Base-Backbone interact. energy: -1.120
local terms energy: -298.458957
where:
bonds (distance) C4'-P energy: -48.080
bonds (distance) P-C4' energy: -55.086
flat angles C4'-P-C4' energy: -65.668
flat angles P-C4'-P energy: -46.513
tors. eta vs tors. theta energy: -83.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -937.406798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.406798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.406798 (E_RNA)
where:
Base-Base interactions energy: -652.246
where: short stacking energy: -280.364
Base-Backbone interact. energy: -1.439
local terms energy: -283.722609
where:
bonds (distance) C4'-P energy: -56.663
bonds (distance) P-C4' energy: -49.158
flat angles C4'-P-C4' energy: -58.380
flat angles P-C4'-P energy: -36.380
tors. eta vs tors. theta energy: -83.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -921.937978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.937978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.937978 (E_RNA)
where:
Base-Base interactions energy: -630.936
where: short stacking energy: -261.617
Base-Backbone interact. energy: -1.915
local terms energy: -289.087052
where:
bonds (distance) C4'-P energy: -56.048
bonds (distance) P-C4' energy: -52.978
flat angles C4'-P-C4' energy: -60.738
flat angles P-C4'-P energy: -39.558
tors. eta vs tors. theta energy: -79.765
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: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -875.301991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.301991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.301991 (E_RNA)
where:
Base-Base interactions energy: -604.600
where: short stacking energy: -249.503
Base-Backbone interact. energy: -0.584
local terms energy: -270.117495
where:
bonds (distance) C4'-P energy: -43.283
bonds (distance) P-C4' energy: -55.521
flat angles C4'-P-C4' energy: -55.694
flat angles P-C4'-P energy: -35.433
tors. eta vs tors. theta energy: -80.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -817.627001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.627001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.627001 (E_RNA)
where:
Base-Base interactions energy: -577.991
where: short stacking energy: -243.456
Base-Backbone interact. energy: -0.324
local terms energy: -239.311785
where:
bonds (distance) C4'-P energy: -38.355
bonds (distance) P-C4' energy: -41.326
flat angles C4'-P-C4' energy: -52.257
flat angles P-C4'-P energy: -34.136
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: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -794.419042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.419042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.419042 (E_RNA)
where:
Base-Base interactions energy: -537.555
where: short stacking energy: -232.892
Base-Backbone interact. energy: -0.455
local terms energy: -256.409413
where:
bonds (distance) C4'-P energy: -41.417
bonds (distance) P-C4' energy: -50.962
flat angles C4'-P-C4' energy: -60.411
flat angles P-C4'-P energy: -38.066
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: 7, replica: 3
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -767.538486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.538486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.538486 (E_RNA)
where:
Base-Base interactions energy: -539.127
where: short stacking energy: -231.846
Base-Backbone interact. energy: -0.341
local terms energy: -228.070318
where:
bonds (distance) C4'-P energy: -42.146
bonds (distance) P-C4' energy: -39.700
flat angles C4'-P-C4' energy: -48.491
flat angles P-C4'-P energy: -37.935
tors. eta vs tors. theta energy: -59.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -722.654420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.654420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.654420 (E_RNA)
where:
Base-Base interactions energy: -503.285
where: short stacking energy: -224.147
Base-Backbone interact. energy: 3.464
local terms energy: -222.834056
where:
bonds (distance) C4'-P energy: -33.955
bonds (distance) P-C4' energy: -49.413
flat angles C4'-P-C4' energy: -48.841
flat angles P-C4'-P energy: -34.247
tors. eta vs tors. theta energy: -56.378
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: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -516.735445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.735445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.735445 (E_RNA)
where:
Base-Base interactions energy: -322.770
where: short stacking energy: -147.137
Base-Backbone interact. energy: 1.745
local terms energy: -195.710557
where:
bonds (distance) C4'-P energy: -48.558
bonds (distance) P-C4' energy: -32.237
flat angles C4'-P-C4' energy: -53.169
flat angles P-C4'-P energy: -26.624
tors. eta vs tors. theta energy: -35.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -380.535261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.535261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.535261 (E_RNA)
where:
Base-Base interactions energy: -229.257
where: short stacking energy: -122.695
Base-Backbone interact. energy: -1.589
local terms energy: -149.689335
where:
bonds (distance) C4'-P energy: -28.351
bonds (distance) P-C4' energy: -37.344
flat angles C4'-P-C4' energy: -46.947
flat angles P-C4'-P energy: -19.531
tors. eta vs tors. theta energy: -17.517
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: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -938.198598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.198598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.198598 (E_RNA)
where:
Base-Base interactions energy: -650.685
where: short stacking energy: -284.451
Base-Backbone interact. energy: -0.102
local terms energy: -287.411496
where:
bonds (distance) C4'-P energy: -52.063
bonds (distance) P-C4' energy: -49.828
flat angles C4'-P-C4' energy: -61.089
flat angles P-C4'-P energy: -39.685
tors. eta vs tors. theta energy: -84.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -923.715512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.715512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.715512 (E_RNA)
where:
Base-Base interactions energy: -631.148
where: short stacking energy: -273.442
Base-Backbone interact. energy: 0.171
local terms energy: -292.738605
where:
bonds (distance) C4'-P energy: -55.178
bonds (distance) P-C4' energy: -59.549
flat angles C4'-P-C4' energy: -54.486
flat angles P-C4'-P energy: -39.555
tors. eta vs tors. theta energy: -83.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -904.686593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.686593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.686593 (E_RNA)
where:
Base-Base interactions energy: -635.921
where: short stacking energy: -267.912
Base-Backbone interact. energy: -0.433
local terms energy: -268.332081
where:
bonds (distance) C4'-P energy: -42.777
bonds (distance) P-C4' energy: -53.888
flat angles C4'-P-C4' energy: -57.229
flat angles P-C4'-P energy: -41.988
tors. eta vs tors. theta energy: -72.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -856.580400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.580400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.580400 (E_RNA)
where:
Base-Base interactions energy: -586.543
where: short stacking energy: -258.329
Base-Backbone interact. energy: -0.199
local terms energy: -269.839090
where:
bonds (distance) C4'-P energy: -50.555
bonds (distance) P-C4' energy: -50.221
flat angles C4'-P-C4' energy: -55.688
flat angles P-C4'-P energy: -39.777
tors. eta vs tors. theta energy: -73.599
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: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -828.992629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.992629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.992629 (E_RNA)
where:
Base-Base interactions energy: -563.752
where: short stacking energy: -249.391
Base-Backbone interact. energy: -0.073
local terms energy: -265.167837
where:
bonds (distance) C4'-P energy: -52.031
bonds (distance) P-C4' energy: -47.837
flat angles C4'-P-C4' energy: -52.065
flat angles P-C4'-P energy: -39.432
tors. eta vs tors. theta energy: -73.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -789.593972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.593972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.593972 (E_RNA)
where:
Base-Base interactions energy: -548.930
where: short stacking energy: -235.392
Base-Backbone interact. energy: -2.028
local terms energy: -238.635373
where:
bonds (distance) C4'-P energy: -54.559
bonds (distance) P-C4' energy: -40.607
flat angles C4'-P-C4' energy: -47.719
flat angles P-C4'-P energy: -32.775
tors. eta vs tors. theta energy: -62.974
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: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -753.877237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.877237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.877237 (E_RNA)
where:
Base-Base interactions energy: -515.965
where: short stacking energy: -213.636
Base-Backbone interact. energy: -0.367
local terms energy: -237.544584
where:
bonds (distance) C4'-P energy: -42.642
bonds (distance) P-C4' energy: -44.703
flat angles C4'-P-C4' energy: -54.878
flat angles P-C4'-P energy: -30.010
tors. eta vs tors. theta energy: -65.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -758.595112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.595112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.595112 (E_RNA)
where:
Base-Base interactions energy: -517.827
where: short stacking energy: -211.435
Base-Backbone interact. energy: -1.563
local terms energy: -239.204940
where:
bonds (distance) C4'-P energy: -50.511
bonds (distance) P-C4' energy: -41.162
flat angles C4'-P-C4' energy: -52.530
flat angles P-C4'-P energy: -31.201
tors. eta vs tors. theta energy: -63.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -564.810548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.810548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.810548 (E_RNA)
where:
Base-Base interactions energy: -369.893
where: short stacking energy: -165.413
Base-Backbone interact. energy: 0.548
local terms energy: -195.464998
where:
bonds (distance) C4'-P energy: -36.875
bonds (distance) P-C4' energy: -48.284
flat angles C4'-P-C4' energy: -52.108
flat angles P-C4'-P energy: -23.410
tors. eta vs tors. theta energy: -34.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -399.598690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.598690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.598690 (E_RNA)
where:
Base-Base interactions energy: -236.304
where: short stacking energy: -129.269
Base-Backbone interact. energy: -0.889
local terms energy: -162.406179
where:
bonds (distance) C4'-P energy: -40.284
bonds (distance) P-C4' energy: -38.204
flat angles C4'-P-C4' energy: -38.838
flat angles P-C4'-P energy: -30.397
tors. eta vs tors. theta energy: -14.683
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: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -961.094915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.094915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.094915 (E_RNA)
where:
Base-Base interactions energy: -667.007
where: short stacking energy: -281.504
Base-Backbone interact. energy: -2.567
local terms energy: -291.521068
where:
bonds (distance) C4'-P energy: -54.048
bonds (distance) P-C4' energy: -48.964
flat angles C4'-P-C4' energy: -60.918
flat angles P-C4'-P energy: -44.349
tors. eta vs tors. theta energy: -83.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -921.267589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.267589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.267589 (E_RNA)
where:
Base-Base interactions energy: -633.087
where: short stacking energy: -284.473
Base-Backbone interact. energy: -3.069
local terms energy: -285.111601
where:
bonds (distance) C4'-P energy: -47.083
bonds (distance) P-C4' energy: -43.110
flat angles C4'-P-C4' energy: -58.320
flat angles P-C4'-P energy: -48.015
tors. eta vs tors. theta energy: -88.585
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: 3, replica: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -900.665952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.665952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.665952 (E_RNA)
where:
Base-Base interactions energy: -632.593
where: short stacking energy: -256.932
Base-Backbone interact. energy: -1.687
local terms energy: -266.385665
where:
bonds (distance) C4'-P energy: -47.459
bonds (distance) P-C4' energy: -47.653
flat angles C4'-P-C4' energy: -63.053
flat angles P-C4'-P energy: -34.786
tors. eta vs tors. theta energy: -73.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -863.958581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.958581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.958581 (E_RNA)
where:
Base-Base interactions energy: -614.989
where: short stacking energy: -240.894
Base-Backbone interact. energy: 0.750
local terms energy: -249.720103
where:
bonds (distance) C4'-P energy: -45.967
bonds (distance) P-C4' energy: -48.826
flat angles C4'-P-C4' energy: -55.098
flat angles P-C4'-P energy: -37.978
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: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -823.099730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.099730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.099730 (E_RNA)
where:
Base-Base interactions energy: -561.598
where: short stacking energy: -256.705
Base-Backbone interact. energy: -0.737
local terms energy: -260.764095
where:
bonds (distance) C4'-P energy: -40.252
bonds (distance) P-C4' energy: -52.206
flat angles C4'-P-C4' energy: -52.649
flat angles P-C4'-P energy: -38.760
tors. eta vs tors. theta energy: -76.897
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: 6
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -795.285972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.285972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.285972 (E_RNA)
where:
Base-Base interactions energy: -541.889
where: short stacking energy: -220.114
Base-Backbone interact. energy: -0.233
local terms energy: -253.163125
where:
bonds (distance) C4'-P energy: -51.327
bonds (distance) P-C4' energy: -41.191
flat angles C4'-P-C4' energy: -61.582
flat angles P-C4'-P energy: -34.752
tors. eta vs tors. theta energy: -64.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -770.268277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.268277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.268277 (E_RNA)
where:
Base-Base interactions energy: -528.833
where: short stacking energy: -218.807
Base-Backbone interact. energy: 1.558
local terms energy: -242.993419
where:
bonds (distance) C4'-P energy: -48.468
bonds (distance) P-C4' energy: -48.888
flat angles C4'-P-C4' energy: -55.811
flat angles P-C4'-P energy: -36.585
tors. eta vs tors. theta energy: -53.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -711.635763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.635763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.635763 (E_RNA)
where:
Base-Base interactions energy: -487.119
where: short stacking energy: -203.405
Base-Backbone interact. energy: -0.612
local terms energy: -223.904442
where:
bonds (distance) C4'-P energy: -41.915
bonds (distance) P-C4' energy: -44.226
flat angles C4'-P-C4' energy: -49.868
flat angles P-C4'-P energy: -30.310
tors. eta vs tors. theta energy: -57.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -572.068000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.068000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.068000 (E_RNA)
where:
Base-Base interactions energy: -360.942
where: short stacking energy: -166.468
Base-Backbone interact. energy: 0.564
local terms energy: -211.690214
where:
bonds (distance) C4'-P energy: -51.768
bonds (distance) P-C4' energy: -38.968
flat angles C4'-P-C4' energy: -53.420
flat angles P-C4'-P energy: -30.986
tors. eta vs tors. theta energy: -36.547
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: 134
Temperature: 1.350000
Total energy: -418.286768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.286768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.286768 (E_RNA)
where:
Base-Base interactions energy: -240.955
where: short stacking energy: -102.780
Base-Backbone interact. energy: -0.385
local terms energy: -176.947067
where:
bonds (distance) C4'-P energy: -49.419
bonds (distance) P-C4' energy: -41.404
flat angles C4'-P-C4' energy: -43.460
flat angles P-C4'-P energy: -22.663
tors. eta vs tors. theta energy: -20.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -965.004813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.004813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.004813 (E_RNA)
where:
Base-Base interactions energy: -676.146
where: short stacking energy: -283.090
Base-Backbone interact. energy: -0.865
local terms energy: -287.993958
where:
bonds (distance) C4'-P energy: -50.664
bonds (distance) P-C4' energy: -52.940
flat angles C4'-P-C4' energy: -61.101
flat angles P-C4'-P energy: -41.402
tors. eta vs tors. theta energy: -81.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -915.253389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.253389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.253389 (E_RNA)
where:
Base-Base interactions energy: -631.259
where: short stacking energy: -267.022
Base-Backbone interact. energy: -0.662
local terms energy: -283.331974
where:
bonds (distance) C4'-P energy: -53.136
bonds (distance) P-C4' energy: -47.773
flat angles C4'-P-C4' energy: -58.193
flat angles P-C4'-P energy: -43.967
tors. eta vs tors. theta energy: -80.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -905.018408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.018408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.018408 (E_RNA)
where:
Base-Base interactions energy: -641.637
where: short stacking energy: -254.626
Base-Backbone interact. energy: -1.723
local terms energy: -261.658816
where:
bonds (distance) C4'-P energy: -49.294
bonds (distance) P-C4' energy: -50.549
flat angles C4'-P-C4' energy: -58.251
flat angles P-C4'-P energy: -37.806
tors. eta vs tors. theta energy: -65.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -849.671918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.671918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.671918 (E_RNA)
where:
Base-Base interactions energy: -592.005
where: short stacking energy: -262.183
Base-Backbone interact. energy: -1.782
local terms energy: -255.885032
where:
bonds (distance) C4'-P energy: -52.410
bonds (distance) P-C4' energy: -43.423
flat angles C4'-P-C4' energy: -52.504
flat angles P-C4'-P energy: -28.883
tors. eta vs tors. theta energy: -78.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -809.080601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.080601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.080601 (E_RNA)
where:
Base-Base interactions energy: -539.786
where: short stacking energy: -229.140
Base-Backbone interact. energy: -0.687
local terms energy: -268.607276
where:
bonds (distance) C4'-P energy: -56.338
bonds (distance) P-C4' energy: -49.161
flat angles C4'-P-C4' energy: -57.307
flat angles P-C4'-P energy: -35.773
tors. eta vs tors. theta energy: -70.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -792.948835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.948835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.948835 (E_RNA)
where:
Base-Base interactions energy: -548.125
where: short stacking energy: -233.197
Base-Backbone interact. energy: -1.656
local terms energy: -243.167861
where:
bonds (distance) C4'-P energy: -47.172
bonds (distance) P-C4' energy: -47.920
flat angles C4'-P-C4' energy: -49.902
flat angles P-C4'-P energy: -33.816
tors. eta vs tors. theta energy: -64.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -735.788101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.788101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.788101 (E_RNA)
where:
Base-Base interactions energy: -517.266
where: short stacking energy: -217.583
Base-Backbone interact. energy: -0.068
local terms energy: -218.453613
where:
bonds (distance) C4'-P energy: -35.872
bonds (distance) P-C4' energy: -39.296
flat angles C4'-P-C4' energy: -54.778
flat angles P-C4'-P energy: -33.609
tors. eta vs tors. theta energy: -54.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -684.457733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.457733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.457733 (E_RNA)
where:
Base-Base interactions energy: -479.211
where: short stacking energy: -188.677
Base-Backbone interact. energy: 2.625
local terms energy: -207.871526
where:
bonds (distance) C4'-P energy: -40.180
bonds (distance) P-C4' energy: -49.031
flat angles C4'-P-C4' energy: -42.278
flat angles P-C4'-P energy: -29.780
tors. eta vs tors. theta energy: -46.603
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: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -526.346312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.346312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.346312 (E_RNA)
where:
Base-Base interactions energy: -357.647
where: short stacking energy: -152.461
Base-Backbone interact. energy: -0.685
local terms energy: -168.014712
where:
bonds (distance) C4'-P energy: -34.703
bonds (distance) P-C4' energy: -39.429
flat angles C4'-P-C4' energy: -38.325
flat angles P-C4'-P energy: -25.245
tors. eta vs tors. theta energy: -30.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -406.026635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.026635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.026635 (E_RNA)
where:
Base-Base interactions energy: -239.518
where: short stacking energy: -119.844
Base-Backbone interact. energy: -0.183
local terms energy: -166.325353
where:
bonds (distance) C4'-P energy: -45.627
bonds (distance) P-C4' energy: -35.873
flat angles C4'-P-C4' energy: -44.716
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -24.195
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: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -955.764130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.764130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.764130 (E_RNA)
where:
Base-Base interactions energy: -639.462
where: short stacking energy: -296.261
Base-Backbone interact. energy: 0.057
local terms energy: -316.359285
where:
bonds (distance) C4'-P energy: -58.846
bonds (distance) P-C4' energy: -59.986
flat angles C4'-P-C4' energy: -61.490
flat angles P-C4'-P energy: -45.472
tors. eta vs tors. theta energy: -90.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -947.355138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.355138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.355138 (E_RNA)
where:
Base-Base interactions energy: -652.463
where: short stacking energy: -280.462
Base-Backbone interact. energy: -0.835
local terms energy: -294.057741
where:
bonds (distance) C4'-P energy: -49.899
bonds (distance) P-C4' energy: -52.049
flat angles C4'-P-C4' energy: -58.519
flat angles P-C4'-P energy: -43.627
tors. eta vs tors. theta energy: -89.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -915.297304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.297304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.297304 (E_RNA)
where:
Base-Base interactions energy: -645.216
where: short stacking energy: -257.755
Base-Backbone interact. energy: 0.163
local terms energy: -270.244253
where:
bonds (distance) C4'-P energy: -57.949
bonds (distance) P-C4' energy: -58.516
flat angles C4'-P-C4' energy: -52.907
flat angles P-C4'-P energy: -31.404
tors. eta vs tors. theta energy: -69.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -859.876325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.876325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.876325 (E_RNA)
where:
Base-Base interactions energy: -588.736
where: short stacking energy: -266.043
Base-Backbone interact. energy: -1.046
local terms energy: -270.094983
where:
bonds (distance) C4'-P energy: -49.626
bonds (distance) P-C4' energy: -47.210
flat angles C4'-P-C4' energy: -57.862
flat angles P-C4'-P energy: -36.853
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: 5, replica: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -824.663031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.663031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.663031 (E_RNA)
where:
Base-Base interactions energy: -563.518
where: short stacking energy: -232.114
Base-Backbone interact. energy: 0.216
local terms energy: -261.360755
where:
bonds (distance) C4'-P energy: -49.393
bonds (distance) P-C4' energy: -52.329
flat angles C4'-P-C4' energy: -56.980
flat angles P-C4'-P energy: -35.580
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: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -827.145116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.145116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.145116 (E_RNA)
where:
Base-Base interactions energy: -571.712
where: short stacking energy: -246.925
Base-Backbone interact. energy: -0.909
local terms energy: -254.523661
where:
bonds (distance) C4'-P energy: -43.343
bonds (distance) P-C4' energy: -48.026
flat angles C4'-P-C4' energy: -55.219
flat angles P-C4'-P energy: -34.390
tors. eta vs tors. theta energy: -73.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -778.961702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.961702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.961702 (E_RNA)
where:
Base-Base interactions energy: -553.969
where: short stacking energy: -229.462
Base-Backbone interact. energy: -0.738
local terms energy: -224.255412
where:
bonds (distance) C4'-P energy: -45.347
bonds (distance) P-C4' energy: -38.848
flat angles C4'-P-C4' energy: -52.590
flat angles P-C4'-P energy: -28.297
tors. eta vs tors. theta energy: -59.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -695.996029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.996029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.996029 (E_RNA)
where:
Base-Base interactions energy: -470.078
where: short stacking energy: -196.787
Base-Backbone interact. energy: -0.997
local terms energy: -224.921229
where:
bonds (distance) C4'-P energy: -40.294
bonds (distance) P-C4' energy: -51.713
flat angles C4'-P-C4' energy: -49.686
flat angles P-C4'-P energy: -34.018
tors. eta vs tors. theta energy: -49.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -477.080214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.080214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.080214 (E_RNA)
where:
Base-Base interactions energy: -288.112
where: short stacking energy: -133.368
Base-Backbone interact. energy: -1.285
local terms energy: -187.683503
where:
bonds (distance) C4'-P energy: -47.850
bonds (distance) P-C4' energy: -46.889
flat angles C4'-P-C4' energy: -47.605
flat angles P-C4'-P energy: -24.907
tors. eta vs tors. theta energy: -20.433
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: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -396.518440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.518440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.518440 (E_RNA)
where:
Base-Base interactions energy: -246.304
where: short stacking energy: -108.167
Base-Backbone interact. energy: -0.029
local terms energy: -150.184844
where:
bonds (distance) C4'-P energy: -39.175
bonds (distance) P-C4' energy: -50.934
flat angles C4'-P-C4' energy: -37.653
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -10.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -944.339346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.339346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.339346 (E_RNA)
where:
Base-Base interactions energy: -651.775
where: short stacking energy: -297.686
Base-Backbone interact. energy: -0.756
local terms energy: -291.808707
where:
bonds (distance) C4'-P energy: -47.482
bonds (distance) P-C4' energy: -58.132
flat angles C4'-P-C4' energy: -63.251
flat angles P-C4'-P energy: -39.529
tors. eta vs tors. theta energy: -83.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -937.033446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.033446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.033446 (E_RNA)
where:
Base-Base interactions energy: -658.589
where: short stacking energy: -277.156
Base-Backbone interact. energy: -0.658
local terms energy: -277.786742
where:
bonds (distance) C4'-P energy: -48.092
bonds (distance) P-C4' energy: -61.843
flat angles C4'-P-C4' energy: -53.798
flat angles P-C4'-P energy: -35.457
tors. eta vs tors. theta energy: -78.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -917.127530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.127530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.127530 (E_RNA)
where:
Base-Base interactions energy: -642.564
where: short stacking energy: -271.314
Base-Backbone interact. energy: 0.101
local terms energy: -274.664200
where:
bonds (distance) C4'-P energy: -44.782
bonds (distance) P-C4' energy: -56.010
flat angles C4'-P-C4' energy: -55.508
flat angles P-C4'-P energy: -44.577
tors. eta vs tors. theta energy: -73.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -847.459262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.459262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.459262 (E_RNA)
where:
Base-Base interactions energy: -585.345
where: short stacking energy: -257.300
Base-Backbone interact. energy: -0.812
local terms energy: -261.302662
where:
bonds (distance) C4'-P energy: -48.211
bonds (distance) P-C4' energy: -57.925
flat angles C4'-P-C4' energy: -54.042
flat angles P-C4'-P energy: -33.530
tors. eta vs tors. theta energy: -67.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -826.014776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.014776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.014776 (E_RNA)
where:
Base-Base interactions energy: -572.504
where: short stacking energy: -250.307
Base-Backbone interact. energy: -0.602
local terms energy: -252.909394
where:
bonds (distance) C4'-P energy: -47.137
bonds (distance) P-C4' energy: -42.414
flat angles C4'-P-C4' energy: -54.670
flat angles P-C4'-P energy: -36.669
tors. eta vs tors. theta energy: -72.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -800.995791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.995791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.995791 (E_RNA)
where:
Base-Base interactions energy: -552.074
where: short stacking energy: -237.057
Base-Backbone interact. energy: -0.066
local terms energy: -248.856160
where:
bonds (distance) C4'-P energy: -53.310
bonds (distance) P-C4' energy: -32.022
flat angles C4'-P-C4' energy: -52.182
flat angles P-C4'-P energy: -38.639
tors. eta vs tors. theta energy: -72.704
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: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -740.221687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.221687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.221687 (E_RNA)
where:
Base-Base interactions energy: -508.847
where: short stacking energy: -210.580
Base-Backbone interact. energy: -0.257
local terms energy: -231.117687
where:
bonds (distance) C4'-P energy: -44.061
bonds (distance) P-C4' energy: -56.099
flat angles C4'-P-C4' energy: -46.290
flat angles P-C4'-P energy: -36.377
tors. eta vs tors. theta energy: -48.290
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: 3
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -698.573209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.573209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.573209 (E_RNA)
where:
Base-Base interactions energy: -493.720
where: short stacking energy: -206.851
Base-Backbone interact. energy: -2.112
local terms energy: -202.741474
where:
bonds (distance) C4'-P energy: -47.150
bonds (distance) P-C4' energy: -27.417
flat angles C4'-P-C4' energy: -48.422
flat angles P-C4'-P energy: -24.737
tors. eta vs tors. theta energy: -55.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -487.411970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.411970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.411970 (E_RNA)
where:
Base-Base interactions energy: -309.617
where: short stacking energy: -146.880
Base-Backbone interact. energy: -0.694
local terms energy: -177.101171
where:
bonds (distance) C4'-P energy: -43.046
bonds (distance) P-C4' energy: -36.431
flat angles C4'-P-C4' energy: -38.046
flat angles P-C4'-P energy: -35.018
tors. eta vs tors. theta energy: -24.560
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: 137
Temperature: 1.350000
Total energy: -383.289314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.289314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.289314 (E_RNA)
where:
Base-Base interactions energy: -218.124
where: short stacking energy: -103.469
Base-Backbone interact. energy: -1.373
local terms energy: -163.792935
where:
bonds (distance) C4'-P energy: -56.625
bonds (distance) P-C4' energy: -44.701
flat angles C4'-P-C4' energy: -31.073
flat angles P-C4'-P energy: -27.913
tors. eta vs tors. theta energy: -3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -949.276582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.276582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.276582 (E_RNA)
where:
Base-Base interactions energy: -658.401
where: short stacking energy: -291.182
Base-Backbone interact. energy: 0.035
local terms energy: -290.910675
where:
bonds (distance) C4'-P energy: -46.948
bonds (distance) P-C4' energy: -56.341
flat angles C4'-P-C4' energy: -57.138
flat angles P-C4'-P energy: -45.756
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: 9
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -940.126169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.126169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.126169 (E_RNA)
where:
Base-Base interactions energy: -655.718
where: short stacking energy: -284.955
Base-Backbone interact. energy: 3.197
local terms energy: -287.605000
where:
bonds (distance) C4'-P energy: -52.401
bonds (distance) P-C4' energy: -56.680
flat angles C4'-P-C4' energy: -50.704
flat angles P-C4'-P energy: -44.366
tors. eta vs tors. theta energy: -83.455
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: 3, replica: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -910.087414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.087414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.087414 (E_RNA)
where:
Base-Base interactions energy: -646.716
where: short stacking energy: -265.071
Base-Backbone interact. energy: -1.481
local terms energy: -261.889719
where:
bonds (distance) C4'-P energy: -43.809
bonds (distance) P-C4' energy: -53.266
flat angles C4'-P-C4' energy: -57.559
flat angles P-C4'-P energy: -35.590
tors. eta vs tors. theta energy: -71.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -831.760112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.760112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.760112 (E_RNA)
where:
Base-Base interactions energy: -571.978
where: short stacking energy: -249.380
Base-Backbone interact. energy: -0.629
local terms energy: -259.152488
where:
bonds (distance) C4'-P energy: -52.474
bonds (distance) P-C4' energy: -45.139
flat angles C4'-P-C4' energy: -60.428
flat angles P-C4'-P energy: -33.709
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: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -810.083067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.083067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.083067 (E_RNA)
where:
Base-Base interactions energy: -573.846
where: short stacking energy: -252.645
Base-Backbone interact. energy: -1.325
local terms energy: -234.912114
where:
bonds (distance) C4'-P energy: -48.026
bonds (distance) P-C4' energy: -44.559
flat angles C4'-P-C4' energy: -49.184
flat angles P-C4'-P energy: -24.166
tors. eta vs tors. theta energy: -68.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -801.917309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.917309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.917309 (E_RNA)
where:
Base-Base interactions energy: -539.095
where: short stacking energy: -237.372
Base-Backbone interact. energy: -0.286
local terms energy: -262.536280
where:
bonds (distance) C4'-P energy: -43.099
bonds (distance) P-C4' energy: -50.870
flat angles C4'-P-C4' energy: -46.843
flat angles P-C4'-P energy: -44.823
tors. eta vs tors. theta energy: -76.901
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: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -744.960246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.960246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.960246 (E_RNA)
where:
Base-Base interactions energy: -510.534
where: short stacking energy: -219.415
Base-Backbone interact. energy: 2.661
local terms energy: -237.087305
where:
bonds (distance) C4'-P energy: -43.089
bonds (distance) P-C4' energy: -49.360
flat angles C4'-P-C4' energy: -54.811
flat angles P-C4'-P energy: -28.435
tors. eta vs tors. theta energy: -61.392
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: 8, replica: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -695.570427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.570427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.570427 (E_RNA)
where:
Base-Base interactions energy: -488.807
where: short stacking energy: -218.705
Base-Backbone interact. energy: -1.737
local terms energy: -205.026232
where:
bonds (distance) C4'-P energy: -38.336
bonds (distance) P-C4' energy: -33.534
flat angles C4'-P-C4' energy: -49.800
flat angles P-C4'-P energy: -34.039
tors. eta vs tors. theta energy: -49.317
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: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -514.128566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.128566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.128566 (E_RNA)
where:
Base-Base interactions energy: -337.206
where: short stacking energy: -149.388
Base-Backbone interact. energy: 1.809
local terms energy: -178.731583
where:
bonds (distance) C4'-P energy: -40.502
bonds (distance) P-C4' energy: -47.554
flat angles C4'-P-C4' energy: -37.781
flat angles P-C4'-P energy: -25.720
tors. eta vs tors. theta energy: -27.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -397.373797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.373797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.373797 (E_RNA)
where:
Base-Base interactions energy: -217.001
where: short stacking energy: -111.422
Base-Backbone interact. energy: -0.529
local terms energy: -179.844518
where:
bonds (distance) C4'-P energy: -49.000
bonds (distance) P-C4' energy: -37.153
flat angles C4'-P-C4' energy: -35.937
flat angles P-C4'-P energy: -37.742
tors. eta vs tors. theta energy: -20.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -945.617645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.617645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.617645 (E_RNA)
where:
Base-Base interactions energy: -651.416
where: short stacking energy: -283.055
Base-Backbone interact. energy: -0.607
local terms energy: -293.594184
where:
bonds (distance) C4'-P energy: -52.344
bonds (distance) P-C4' energy: -56.106
flat angles C4'-P-C4' energy: -60.599
flat angles P-C4'-P energy: -41.398
tors. eta vs tors. theta energy: -83.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -940.684381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.684381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.684381 (E_RNA)
where:
Base-Base interactions energy: -662.549
where: short stacking energy: -278.786
Base-Backbone interact. energy: -0.894
local terms energy: -277.241690
where:
bonds (distance) C4'-P energy: -45.904
bonds (distance) P-C4' energy: -50.157
flat angles C4'-P-C4' energy: -61.835
flat angles P-C4'-P energy: -32.447
tors. eta vs tors. theta energy: -86.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -919.384285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.384285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.384285 (E_RNA)
where:
Base-Base interactions energy: -651.290
where: short stacking energy: -264.913
Base-Backbone interact. energy: -1.080
local terms energy: -267.013893
where:
bonds (distance) C4'-P energy: -41.716
bonds (distance) P-C4' energy: -55.491
flat angles C4'-P-C4' energy: -53.862
flat angles P-C4'-P energy: -37.291
tors. eta vs tors. theta energy: -78.654
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: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -842.379270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.379270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.379270 (E_RNA)
where:
Base-Base interactions energy: -578.718
where: short stacking energy: -246.151
Base-Backbone interact. energy: -0.678
local terms energy: -262.982956
where:
bonds (distance) C4'-P energy: -47.136
bonds (distance) P-C4' energy: -57.741
flat angles C4'-P-C4' energy: -60.021
flat angles P-C4'-P energy: -35.070
tors. eta vs tors. theta energy: -63.015
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: 139
Temperature: 1.100000
Total energy: -823.447755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.447755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.447755 (E_RNA)
where:
Base-Base interactions energy: -570.779
where: short stacking energy: -250.292
Base-Backbone interact. energy: -1.571
local terms energy: -251.097156
where:
bonds (distance) C4'-P energy: -49.158
bonds (distance) P-C4' energy: -45.887
flat angles C4'-P-C4' energy: -47.924
flat angles P-C4'-P energy: -34.748
tors. eta vs tors. theta energy: -73.379
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: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -809.177746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.177746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.177746 (E_RNA)
where:
Base-Base interactions energy: -540.936
where: short stacking energy: -224.655
Base-Backbone interact. energy: -0.653
local terms energy: -267.588228
where:
bonds (distance) C4'-P energy: -49.464
bonds (distance) P-C4' energy: -53.345
flat angles C4'-P-C4' energy: -54.607
flat angles P-C4'-P energy: -36.223
tors. eta vs tors. theta energy: -73.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -754.330775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.330775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.330775 (E_RNA)
where:
Base-Base interactions energy: -520.191
where: short stacking energy: -227.515
Base-Backbone interact. energy: -1.592
local terms energy: -232.547248
where:
bonds (distance) C4'-P energy: -34.827
bonds (distance) P-C4' energy: -46.108
flat angles C4'-P-C4' energy: -59.775
flat angles P-C4'-P energy: -27.545
tors. eta vs tors. theta energy: -64.293
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: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -724.186518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.186518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.186518 (E_RNA)
where:
Base-Base interactions energy: -494.748
where: short stacking energy: -214.433
Base-Backbone interact. energy: -1.513
local terms energy: -227.925536
where:
bonds (distance) C4'-P energy: -47.149
bonds (distance) P-C4' energy: -55.695
flat angles C4'-P-C4' energy: -47.318
flat angles P-C4'-P energy: -27.982
tors. eta vs tors. theta energy: -49.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -528.127401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.127401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.127401 (E_RNA)
where:
Base-Base interactions energy: -337.349
where: short stacking energy: -150.408
Base-Backbone interact. energy: -0.595
local terms energy: -190.183589
where:
bonds (distance) C4'-P energy: -49.505
bonds (distance) P-C4' energy: -39.184
flat angles C4'-P-C4' energy: -54.278
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: -21.612
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: 139
Temperature: 1.350000
Total energy: -335.601023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.601023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.601023 (E_RNA)
where:
Base-Base interactions energy: -170.670
where: short stacking energy: -83.707
Base-Backbone interact. energy: -1.494
local terms energy: -163.436734
where:
bonds (distance) C4'-P energy: -43.914
bonds (distance) P-C4' energy: -50.466
flat angles C4'-P-C4' energy: -35.051
flat angles P-C4'-P energy: -30.864
tors. eta vs tors. theta energy: -3.141
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: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -963.522151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.522151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.522151 (E_RNA)
where:
Base-Base interactions energy: -674.157
where: short stacking energy: -300.530
Base-Backbone interact. energy: -0.770
local terms energy: -288.595266
where:
bonds (distance) C4'-P energy: -44.593
bonds (distance) P-C4' energy: -56.905
flat angles C4'-P-C4' energy: -58.874
flat angles P-C4'-P energy: -38.359
tors. eta vs tors. theta energy: -89.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -919.771528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.771528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.771528 (E_RNA)
where:
Base-Base interactions energy: -639.434
where: short stacking energy: -272.395
Base-Backbone interact. energy: -0.706
local terms energy: -279.630697
where:
bonds (distance) C4'-P energy: -50.301
bonds (distance) P-C4' energy: -46.454
flat angles C4'-P-C4' energy: -61.071
flat angles P-C4'-P energy: -39.557
tors. eta vs tors. theta energy: -82.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -936.929489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.929489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.929489 (E_RNA)
where:
Base-Base interactions energy: -647.483
where: short stacking energy: -258.276
Base-Backbone interact. energy: -1.549
local terms energy: -287.898127
where:
bonds (distance) C4'-P energy: -51.146
bonds (distance) P-C4' energy: -56.943
flat angles C4'-P-C4' energy: -65.829
flat angles P-C4'-P energy: -36.699
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: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -843.322301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.322301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.322301 (E_RNA)
where:
Base-Base interactions energy: -582.025
where: short stacking energy: -258.090
Base-Backbone interact. energy: -1.030
local terms energy: -260.266933
where:
bonds (distance) C4'-P energy: -43.508
bonds (distance) P-C4' energy: -43.979
flat angles C4'-P-C4' energy: -58.424
flat angles P-C4'-P energy: -41.027
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: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -805.621498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.621498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.621498 (E_RNA)
where:
Base-Base interactions energy: -564.561
where: short stacking energy: -242.366
Base-Backbone interact. energy: -0.478
local terms energy: -240.582502
where:
bonds (distance) C4'-P energy: -42.063
bonds (distance) P-C4' energy: -56.237
flat angles C4'-P-C4' energy: -50.470
flat angles P-C4'-P energy: -29.863
tors. eta vs tors. theta energy: -61.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -792.677433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.677433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.677433 (E_RNA)
where:
Base-Base interactions energy: -535.460
where: short stacking energy: -224.259
Base-Backbone interact. energy: -1.740
local terms energy: -255.476731
where:
bonds (distance) C4'-P energy: -54.160
bonds (distance) P-C4' energy: -45.318
flat angles C4'-P-C4' energy: -54.431
flat angles P-C4'-P energy: -37.574
tors. eta vs tors. theta energy: -63.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -741.758295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.758295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.758295 (E_RNA)
where:
Base-Base interactions energy: -495.617
where: short stacking energy: -210.948
Base-Backbone interact. energy: 1.435
local terms energy: -247.575870
where:
bonds (distance) C4'-P energy: -43.769
bonds (distance) P-C4' energy: -58.415
flat angles C4'-P-C4' energy: -55.029
flat angles P-C4'-P energy: -36.529
tors. eta vs tors. theta energy: -53.834
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: 7
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -715.169778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.169778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.169778 (E_RNA)
where:
Base-Base interactions energy: -504.543
where: short stacking energy: -197.760
Base-Backbone interact. energy: -0.574
local terms energy: -210.052992
where:
bonds (distance) C4'-P energy: -36.204
bonds (distance) P-C4' energy: -50.971
flat angles C4'-P-C4' energy: -45.750
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -53.408
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: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -488.445150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.445150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.445150 (E_RNA)
where:
Base-Base interactions energy: -311.355
where: short stacking energy: -137.679
Base-Backbone interact. energy: 3.829
local terms energy: -180.919157
where:
bonds (distance) C4'-P energy: -48.083
bonds (distance) P-C4' energy: -47.438
flat angles C4'-P-C4' energy: -30.792
flat angles P-C4'-P energy: -36.304
tors. eta vs tors. theta energy: -18.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -338.281065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.281065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.281065 (E_RNA)
where:
Base-Base interactions energy: -195.857
where: short stacking energy: -96.637
Base-Backbone interact. energy: -0.296
local terms energy: -142.128452
where:
bonds (distance) C4'-P energy: -36.384
bonds (distance) P-C4' energy: -40.640
flat angles C4'-P-C4' energy: -37.286
flat angles P-C4'-P energy: -18.717
tors. eta vs tors. theta energy: -9.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -967.091955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.091955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.091955 (E_RNA)
where:
Base-Base interactions energy: -655.011
where: short stacking energy: -297.171
Base-Backbone interact. energy: -0.720
local terms energy: -311.360920
where:
bonds (distance) C4'-P energy: -56.030
bonds (distance) P-C4' energy: -55.636
flat angles C4'-P-C4' energy: -61.348
flat angles P-C4'-P energy: -47.924
tors. eta vs tors. theta energy: -90.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -920.877835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.877835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.877835 (E_RNA)
where:
Base-Base interactions energy: -647.169
where: short stacking energy: -261.425
Base-Backbone interact. energy: -0.465
local terms energy: -273.243637
where:
bonds (distance) C4'-P energy: -52.089
bonds (distance) P-C4' energy: -46.885
flat angles C4'-P-C4' energy: -57.588
flat angles P-C4'-P energy: -44.625
tors. eta vs tors. theta energy: -72.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -902.033852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.033852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.033852 (E_RNA)
where:
Base-Base interactions energy: -623.665
where: short stacking energy: -282.988
Base-Backbone interact. energy: -1.071
local terms energy: -277.298088
where:
bonds (distance) C4'-P energy: -51.440
bonds (distance) P-C4' energy: -47.771
flat angles C4'-P-C4' energy: -58.010
flat angles P-C4'-P energy: -36.978
tors. eta vs tors. theta energy: -83.098
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: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -835.160113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.160113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.160113 (E_RNA)
where:
Base-Base interactions energy: -566.356
where: short stacking energy: -254.326
Base-Backbone interact. energy: 0.052
local terms energy: -268.856292
where:
bonds (distance) C4'-P energy: -54.247
bonds (distance) P-C4' energy: -42.063
flat angles C4'-P-C4' energy: -59.360
flat angles P-C4'-P energy: -40.011
tors. eta vs tors. theta energy: -73.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -804.148189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.148189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.148189 (E_RNA)
where:
Base-Base interactions energy: -552.012
where: short stacking energy: -247.461
Base-Backbone interact. energy: -2.159
local terms energy: -249.977235
where:
bonds (distance) C4'-P energy: -41.111
bonds (distance) P-C4' energy: -50.767
flat angles C4'-P-C4' energy: -50.746
flat angles P-C4'-P energy: -37.525
tors. eta vs tors. theta energy: -69.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -806.552690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.552690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.552690 (E_RNA)
where:
Base-Base interactions energy: -561.334
where: short stacking energy: -229.797
Base-Backbone interact. energy: -2.007
local terms energy: -243.211879
where:
bonds (distance) C4'-P energy: -44.270
bonds (distance) P-C4' energy: -50.327
flat angles C4'-P-C4' energy: -47.297
flat angles P-C4'-P energy: -33.939
tors. eta vs tors. theta energy: -67.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -759.187484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.187484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.187484 (E_RNA)
where:
Base-Base interactions energy: -526.997
where: short stacking energy: -214.198
Base-Backbone interact. energy: 1.461
local terms energy: -233.652044
where:
bonds (distance) C4'-P energy: -50.796
bonds (distance) P-C4' energy: -46.137
flat angles C4'-P-C4' energy: -44.341
flat angles P-C4'-P energy: -31.417
tors. eta vs tors. theta energy: -60.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -734.047561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.047561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.047561 (E_RNA)
where:
Base-Base interactions energy: -520.063
where: short stacking energy: -223.800
Base-Backbone interact. energy: -0.119
local terms energy: -213.865721
where:
bonds (distance) C4'-P energy: -46.446
bonds (distance) P-C4' energy: -44.673
flat angles C4'-P-C4' energy: -39.221
flat angles P-C4'-P energy: -23.003
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: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -550.140976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.140976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.140976 (E_RNA)
where:
Base-Base interactions energy: -349.562
where: short stacking energy: -155.816
Base-Backbone interact. energy: -1.505
local terms energy: -199.073368
where:
bonds (distance) C4'-P energy: -47.009
bonds (distance) P-C4' energy: -44.211
flat angles C4'-P-C4' energy: -41.237
flat angles P-C4'-P energy: -30.762
tors. eta vs tors. theta energy: -35.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -324.870542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.870542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.870542 (E_RNA)
where:
Base-Base interactions energy: -160.224
where: short stacking energy: -87.916
Base-Backbone interact. energy: 0.019
local terms energy: -164.665446
where:
bonds (distance) C4'-P energy: -36.868
bonds (distance) P-C4' energy: -51.145
flat angles C4'-P-C4' energy: -47.407
flat angles P-C4'-P energy: -25.805
tors. eta vs tors. theta energy: -3.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -969.233803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.233803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.233803 (E_RNA)
where:
Base-Base interactions energy: -675.181
where: short stacking energy: -295.764
Base-Backbone interact. energy: -1.061
local terms energy: -292.990937
where:
bonds (distance) C4'-P energy: -53.646
bonds (distance) P-C4' energy: -48.793
flat angles C4'-P-C4' energy: -61.847
flat angles P-C4'-P energy: -40.667
tors. eta vs tors. theta energy: -88.037
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: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -939.551802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.551802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.551802 (E_RNA)
where:
Base-Base interactions energy: -650.635
where: short stacking energy: -275.500
Base-Backbone interact. energy: -0.790
local terms energy: -288.126683
where:
bonds (distance) C4'-P energy: -44.986
bonds (distance) P-C4' energy: -57.959
flat angles C4'-P-C4' energy: -62.168
flat angles P-C4'-P energy: -36.952
tors. eta vs tors. theta energy: -86.063
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: 142
Temperature: 1.000000
Total energy: -901.729117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.729117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.729117 (E_RNA)
where:
Base-Base interactions energy: -630.957
where: short stacking energy: -290.124
Base-Backbone interact. energy: -1.453
local terms energy: -269.319563
where:
bonds (distance) C4'-P energy: -42.857
bonds (distance) P-C4' energy: -55.901
flat angles C4'-P-C4' energy: -56.068
flat angles P-C4'-P energy: -33.672
tors. eta vs tors. theta energy: -80.822
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: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -833.116220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.116220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.116220 (E_RNA)
where:
Base-Base interactions energy: -580.575
where: short stacking energy: -237.243
Base-Backbone interact. energy: -1.813
local terms energy: -250.728550
where:
bonds (distance) C4'-P energy: -46.313
bonds (distance) P-C4' energy: -48.781
flat angles C4'-P-C4' energy: -50.015
flat angles P-C4'-P energy: -42.377
tors. eta vs tors. theta energy: -63.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -820.921410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.921410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.921410 (E_RNA)
where:
Base-Base interactions energy: -577.539
where: short stacking energy: -244.271
Base-Backbone interact. energy: 0.328
local terms energy: -243.710309
where:
bonds (distance) C4'-P energy: -41.306
bonds (distance) P-C4' energy: -38.668
flat angles C4'-P-C4' energy: -52.060
flat angles P-C4'-P energy: -41.824
tors. eta vs tors. theta energy: -69.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -775.905563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.905563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.905563 (E_RNA)
where:
Base-Base interactions energy: -536.227
where: short stacking energy: -203.437
Base-Backbone interact. energy: -0.640
local terms energy: -239.038185
where:
bonds (distance) C4'-P energy: -49.396
bonds (distance) P-C4' energy: -37.945
flat angles C4'-P-C4' energy: -57.043
flat angles P-C4'-P energy: -37.117
tors. eta vs tors. theta energy: -57.537
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: 7, replica: 3
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -759.182970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.182970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.182970 (E_RNA)
where:
Base-Base interactions energy: -527.376
where: short stacking energy: -230.286
Base-Backbone interact. energy: -0.327
local terms energy: -231.479599
where:
bonds (distance) C4'-P energy: -49.474
bonds (distance) P-C4' energy: -45.029
flat angles C4'-P-C4' energy: -41.454
flat angles P-C4'-P energy: -35.228
tors. eta vs tors. theta energy: -60.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -700.225486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.225486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.225486 (E_RNA)
where:
Base-Base interactions energy: -491.545
where: short stacking energy: -191.703
Base-Backbone interact. energy: 0.023
local terms energy: -208.703462
where:
bonds (distance) C4'-P energy: -41.187
bonds (distance) P-C4' energy: -30.845
flat angles C4'-P-C4' energy: -48.513
flat angles P-C4'-P energy: -40.198
tors. eta vs tors. theta energy: -47.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -538.892976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.892976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.892976 (E_RNA)
where:
Base-Base interactions energy: -356.602
where: short stacking energy: -158.443
Base-Backbone interact. energy: -1.102
local terms energy: -181.189431
where:
bonds (distance) C4'-P energy: -37.262
bonds (distance) P-C4' energy: -51.047
flat angles C4'-P-C4' energy: -39.493
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: -37.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -334.174033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.174033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.174033 (E_RNA)
where:
Base-Base interactions energy: -186.270
where: short stacking energy: -104.558
Base-Backbone interact. energy: -0.313
local terms energy: -147.591956
where:
bonds (distance) C4'-P energy: -34.316
bonds (distance) P-C4' energy: -51.620
flat angles C4'-P-C4' energy: -34.169
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -10.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -954.186863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.186863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.186863 (E_RNA)
where:
Base-Base interactions energy: -659.241
where: short stacking energy: -292.948
Base-Backbone interact. energy: -1.257
local terms energy: -293.689294
where:
bonds (distance) C4'-P energy: -57.138
bonds (distance) P-C4' energy: -51.408
flat angles C4'-P-C4' energy: -55.200
flat angles P-C4'-P energy: -42.232
tors. eta vs tors. theta energy: -87.711
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: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -940.901048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.901048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.901048 (E_RNA)
where:
Base-Base interactions energy: -647.505
where: short stacking energy: -268.098
Base-Backbone interact. energy: -2.792
local terms energy: -290.604593
where:
bonds (distance) C4'-P energy: -53.649
bonds (distance) P-C4' energy: -48.573
flat angles C4'-P-C4' energy: -61.819
flat angles P-C4'-P energy: -43.670
tors. eta vs tors. theta energy: -82.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -884.982508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.982508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.982508 (E_RNA)
where:
Base-Base interactions energy: -612.948
where: short stacking energy: -258.038
Base-Backbone interact. energy: 0.017
local terms energy: -272.051098
where:
bonds (distance) C4'-P energy: -49.895
bonds (distance) P-C4' energy: -53.324
flat angles C4'-P-C4' energy: -55.054
flat angles P-C4'-P energy: -38.260
tors. eta vs tors. theta energy: -75.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -843.618507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.618507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.618507 (E_RNA)
where:
Base-Base interactions energy: -588.840
where: short stacking energy: -248.000
Base-Backbone interact. energy: -0.589
local terms energy: -254.189386
where:
bonds (distance) C4'-P energy: -48.234
bonds (distance) P-C4' energy: -41.454
flat angles C4'-P-C4' energy: -61.225
flat angles P-C4'-P energy: -39.377
tors. eta vs tors. theta energy: -63.898
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: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -826.514452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.514452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.514452 (E_RNA)
where:
Base-Base interactions energy: -569.892
where: short stacking energy: -249.648
Base-Backbone interact. energy: -0.457
local terms energy: -256.164898
where:
bonds (distance) C4'-P energy: -38.820
bonds (distance) P-C4' energy: -52.700
flat angles C4'-P-C4' energy: -55.431
flat angles P-C4'-P energy: -37.628
tors. eta vs tors. theta energy: -71.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -787.385120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.385120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.385120 (E_RNA)
where:
Base-Base interactions energy: -539.620
where: short stacking energy: -233.762
Base-Backbone interact. energy: -1.453
local terms energy: -246.311975
where:
bonds (distance) C4'-P energy: -55.201
bonds (distance) P-C4' energy: -40.901
flat angles C4'-P-C4' energy: -52.611
flat angles P-C4'-P energy: -33.830
tors. eta vs tors. theta energy: -63.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -752.020976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.020976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.020976 (E_RNA)
where:
Base-Base interactions energy: -521.007
where: short stacking energy: -216.251
Base-Backbone interact. energy: -1.061
local terms energy: -229.953602
where:
bonds (distance) C4'-P energy: -35.542
bonds (distance) P-C4' energy: -56.652
flat angles C4'-P-C4' energy: -45.400
flat angles P-C4'-P energy: -37.610
tors. eta vs tors. theta energy: -54.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -697.465592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.465592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.465592 (E_RNA)
where:
Base-Base interactions energy: -482.455
where: short stacking energy: -204.790
Base-Backbone interact. energy: -0.515
local terms energy: -214.495582
where:
bonds (distance) C4'-P energy: -38.392
bonds (distance) P-C4' energy: -40.603
flat angles C4'-P-C4' energy: -50.560
flat angles P-C4'-P energy: -32.434
tors. eta vs tors. theta energy: -52.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -539.866611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.866611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.866611 (E_RNA)
where:
Base-Base interactions energy: -351.543
where: short stacking energy: -162.155
Base-Backbone interact. energy: 0.288
local terms energy: -188.611066
where:
bonds (distance) C4'-P energy: -43.382
bonds (distance) P-C4' energy: -34.434
flat angles C4'-P-C4' energy: -50.332
flat angles P-C4'-P energy: -28.423
tors. eta vs tors. theta energy: -32.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -355.835638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.835638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.835638 (E_RNA)
where:
Base-Base interactions energy: -195.395
where: short stacking energy: -90.942
Base-Backbone interact. energy: -1.368
local terms energy: -159.073186
where:
bonds (distance) C4'-P energy: -36.631
bonds (distance) P-C4' energy: -44.589
flat angles C4'-P-C4' energy: -49.121
flat angles P-C4'-P energy: -29.831
tors. eta vs tors. theta energy: 1.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -974.619512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.619512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.619512 (E_RNA)
where:
Base-Base interactions energy: -670.613
where: short stacking energy: -300.740
Base-Backbone interact. energy: -1.300
local terms energy: -302.706482
where:
bonds (distance) C4'-P energy: -53.099
bonds (distance) P-C4' energy: -53.768
flat angles C4'-P-C4' energy: -59.709
flat angles P-C4'-P energy: -44.331
tors. eta vs tors. theta energy: -91.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -947.316691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.316691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.316691 (E_RNA)
where:
Base-Base interactions energy: -661.123
where: short stacking energy: -291.576
Base-Backbone interact. energy: 0.273
local terms energy: -286.466885
where:
bonds (distance) C4'-P energy: -54.467
bonds (distance) P-C4' energy: -49.658
flat angles C4'-P-C4' energy: -53.607
flat angles P-C4'-P energy: -40.705
tors. eta vs tors. theta energy: -88.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -888.031795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.031795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.031795 (E_RNA)
where:
Base-Base interactions energy: -609.680
where: short stacking energy: -265.978
Base-Backbone interact. energy: -0.723
local terms energy: -277.629285
where:
bonds (distance) C4'-P energy: -53.678
bonds (distance) P-C4' energy: -50.291
flat angles C4'-P-C4' energy: -57.653
flat angles P-C4'-P energy: -42.548
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: 4, replica: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -853.407156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.407156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.407156 (E_RNA)
where:
Base-Base interactions energy: -574.624
where: short stacking energy: -256.461
Base-Backbone interact. energy: -1.324
local terms energy: -277.458578
where:
bonds (distance) C4'-P energy: -49.223
bonds (distance) P-C4' energy: -53.438
flat angles C4'-P-C4' energy: -54.568
flat angles P-C4'-P energy: -45.606
tors. eta vs tors. theta energy: -74.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -803.886947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.886947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.886947 (E_RNA)
where:
Base-Base interactions energy: -567.014
where: short stacking energy: -231.400
Base-Backbone interact. energy: -0.585
local terms energy: -236.288499
where:
bonds (distance) C4'-P energy: -42.901
bonds (distance) P-C4' energy: -48.037
flat angles C4'-P-C4' energy: -52.245
flat angles P-C4'-P energy: -33.063
tors. eta vs tors. theta energy: -60.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -802.069662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.069662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.069662 (E_RNA)
where:
Base-Base interactions energy: -541.837
where: short stacking energy: -245.412
Base-Backbone interact. energy: 0.227
local terms energy: -260.459851
where:
bonds (distance) C4'-P energy: -44.823
bonds (distance) P-C4' energy: -44.552
flat angles C4'-P-C4' energy: -56.223
flat angles P-C4'-P energy: -41.691
tors. eta vs tors. theta energy: -73.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -762.766245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.766245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.766245 (E_RNA)
where:
Base-Base interactions energy: -524.398
where: short stacking energy: -220.702
Base-Backbone interact. energy: -0.103
local terms energy: -238.265008
where:
bonds (distance) C4'-P energy: -40.311
bonds (distance) P-C4' energy: -41.394
flat angles C4'-P-C4' energy: -50.831
flat angles P-C4'-P energy: -39.624
tors. eta vs tors. theta energy: -66.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -714.737045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.737045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.737045 (E_RNA)
where:
Base-Base interactions energy: -479.216
where: short stacking energy: -198.398
Base-Backbone interact. energy: -0.277
local terms energy: -235.244096
where:
bonds (distance) C4'-P energy: -50.626
bonds (distance) P-C4' energy: -37.508
flat angles C4'-P-C4' energy: -55.313
flat angles P-C4'-P energy: -34.861
tors. eta vs tors. theta energy: -56.936
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: 9, replica: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -587.222606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.222606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.222606 (E_RNA)
where:
Base-Base interactions energy: -380.450
where: short stacking energy: -177.630
Base-Backbone interact. energy: 1.689
local terms energy: -208.460923
where:
bonds (distance) C4'-P energy: -41.983
bonds (distance) P-C4' energy: -44.335
flat angles C4'-P-C4' energy: -52.729
flat angles P-C4'-P energy: -29.355
tors. eta vs tors. theta energy: -40.058
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: 144
Temperature: 1.350000
Total energy: -382.941384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.941384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.941384 (E_RNA)
where:
Base-Base interactions energy: -228.485
where: short stacking energy: -111.981
Base-Backbone interact. energy: -0.374
local terms energy: -154.082781
where:
bonds (distance) C4'-P energy: -39.092
bonds (distance) P-C4' energy: -53.723
flat angles C4'-P-C4' energy: -34.021
flat angles P-C4'-P energy: -22.827
tors. eta vs tors. theta energy: -4.420
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: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -953.949843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.949843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.949843 (E_RNA)
where:
Base-Base interactions energy: -663.284
where: short stacking energy: -293.530
Base-Backbone interact. energy: -1.164
local terms energy: -289.501236
where:
bonds (distance) C4'-P energy: -50.792
bonds (distance) P-C4' energy: -47.652
flat angles C4'-P-C4' energy: -62.177
flat angles P-C4'-P energy: -45.318
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: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -930.627749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.627749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.627749 (E_RNA)
where:
Base-Base interactions energy: -649.336
where: short stacking energy: -265.093
Base-Backbone interact. energy: -0.433
local terms energy: -280.858583
where:
bonds (distance) C4'-P energy: -47.550
bonds (distance) P-C4' energy: -54.617
flat angles C4'-P-C4' energy: -58.201
flat angles P-C4'-P energy: -43.171
tors. eta vs tors. theta energy: -77.320
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: 145
Temperature: 1.000000
Total energy: -886.890664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.890664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.890664 (E_RNA)
where:
Base-Base interactions energy: -607.624
where: short stacking energy: -261.050
Base-Backbone interact. energy: -0.862
local terms energy: -278.403979
where:
bonds (distance) C4'-P energy: -45.492
bonds (distance) P-C4' energy: -53.142
flat angles C4'-P-C4' energy: -57.824
flat angles P-C4'-P energy: -40.468
tors. eta vs tors. theta energy: -81.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -843.378597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.378597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.378597 (E_RNA)
where:
Base-Base interactions energy: -582.664
where: short stacking energy: -241.473
Base-Backbone interact. energy: -1.458
local terms energy: -259.256515
where:
bonds (distance) C4'-P energy: -53.675
bonds (distance) P-C4' energy: -47.620
flat angles C4'-P-C4' energy: -54.852
flat angles P-C4'-P energy: -42.255
tors. eta vs tors. theta energy: -60.854
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: 5, replica: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -810.915273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.915273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.915273 (E_RNA)
where:
Base-Base interactions energy: -565.294
where: short stacking energy: -241.798
Base-Backbone interact. energy: -0.824
local terms energy: -244.797246
where:
bonds (distance) C4'-P energy: -39.694
bonds (distance) P-C4' energy: -43.902
flat angles C4'-P-C4' energy: -59.293
flat angles P-C4'-P energy: -39.485
tors. eta vs tors. theta energy: -62.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -799.743237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.743237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.743237 (E_RNA)
where:
Base-Base interactions energy: -548.514
where: short stacking energy: -230.220
Base-Backbone interact. energy: -1.823
local terms energy: -249.406626
where:
bonds (distance) C4'-P energy: -43.485
bonds (distance) P-C4' energy: -51.999
flat angles C4'-P-C4' energy: -53.232
flat angles P-C4'-P energy: -30.943
tors. eta vs tors. theta energy: -69.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -758.744482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.744482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.744482 (E_RNA)
where:
Base-Base interactions energy: -530.248
where: short stacking energy: -220.636
Base-Backbone interact. energy: 2.639
local terms energy: -231.135562
where:
bonds (distance) C4'-P energy: -49.473
bonds (distance) P-C4' energy: -44.808
flat angles C4'-P-C4' energy: -48.188
flat angles P-C4'-P energy: -32.799
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: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -716.529950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.529950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.529950 (E_RNA)
where:
Base-Base interactions energy: -480.353
where: short stacking energy: -189.021
Base-Backbone interact. energy: -0.348
local terms energy: -235.828389
where:
bonds (distance) C4'-P energy: -48.472
bonds (distance) P-C4' energy: -51.642
flat angles C4'-P-C4' energy: -46.850
flat angles P-C4'-P energy: -32.274
tors. eta vs tors. theta energy: -56.591
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: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -587.737785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.737785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.737785 (E_RNA)
where:
Base-Base interactions energy: -378.711
where: short stacking energy: -171.405
Base-Backbone interact. energy: 1.582
local terms energy: -210.608299
where:
bonds (distance) C4'-P energy: -42.302
bonds (distance) P-C4' energy: -56.003
flat angles C4'-P-C4' energy: -47.485
flat angles P-C4'-P energy: -26.229
tors. eta vs tors. theta energy: -38.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -392.653145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.653145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.653145 (E_RNA)
where:
Base-Base interactions energy: -244.934
where: short stacking energy: -125.983
Base-Backbone interact. energy: -2.187
local terms energy: -145.532712
where:
bonds (distance) C4'-P energy: -38.601
bonds (distance) P-C4' energy: -34.840
flat angles C4'-P-C4' energy: -31.896
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -23.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -958.501226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.501226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.501226 (E_RNA)
where:
Base-Base interactions energy: -655.438
where: short stacking energy: -280.882
Base-Backbone interact. energy: -0.801
local terms energy: -302.262815
where:
bonds (distance) C4'-P energy: -51.738
bonds (distance) P-C4' energy: -60.536
flat angles C4'-P-C4' energy: -65.733
flat angles P-C4'-P energy: -39.197
tors. eta vs tors. theta energy: -85.060
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: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -942.764279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.764279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.764279 (E_RNA)
where:
Base-Base interactions energy: -665.794
where: short stacking energy: -278.726
Base-Backbone interact. energy: 0.958
local terms energy: -277.928217
where:
bonds (distance) C4'-P energy: -49.493
bonds (distance) P-C4' energy: -52.063
flat angles C4'-P-C4' energy: -50.744
flat angles P-C4'-P energy: -46.809
tors. eta vs tors. theta energy: -78.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -890.923603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.923603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.923603 (E_RNA)
where:
Base-Base interactions energy: -615.930
where: short stacking energy: -278.030
Base-Backbone interact. energy: 0.701
local terms energy: -275.693977
where:
bonds (distance) C4'-P energy: -42.976
bonds (distance) P-C4' energy: -56.590
flat angles C4'-P-C4' energy: -57.192
flat angles P-C4'-P energy: -38.741
tors. eta vs tors. theta energy: -80.196
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: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -832.115482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.115482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.115482 (E_RNA)
where:
Base-Base interactions energy: -584.821
where: short stacking energy: -243.955
Base-Backbone interact. energy: -0.548
local terms energy: -246.746683
where:
bonds (distance) C4'-P energy: -40.469
bonds (distance) P-C4' energy: -50.814
flat angles C4'-P-C4' energy: -50.335
flat angles P-C4'-P energy: -42.508
tors. eta vs tors. theta energy: -62.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -826.143131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.143131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.143131 (E_RNA)
where:
Base-Base interactions energy: -563.417
where: short stacking energy: -254.721
Base-Backbone interact. energy: -0.304
local terms energy: -262.421654
where:
bonds (distance) C4'-P energy: -48.424
bonds (distance) P-C4' energy: -48.822
flat angles C4'-P-C4' energy: -51.406
flat angles P-C4'-P energy: -40.975
tors. eta vs tors. theta energy: -72.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -778.954287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.954287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.954287 (E_RNA)
where:
Base-Base interactions energy: -522.852
where: short stacking energy: -232.442
Base-Backbone interact. energy: 0.092
local terms energy: -256.194156
where:
bonds (distance) C4'-P energy: -46.568
bonds (distance) P-C4' energy: -58.161
flat angles C4'-P-C4' energy: -43.435
flat angles P-C4'-P energy: -45.907
tors. eta vs tors. theta energy: -62.123
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: 146
Temperature: 1.200000
Total energy: -767.556664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.556664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.556664 (E_RNA)
where:
Base-Base interactions energy: -517.240
where: short stacking energy: -209.135
Base-Backbone interact. energy: -1.403
local terms energy: -248.913504
where:
bonds (distance) C4'-P energy: -46.332
bonds (distance) P-C4' energy: -55.064
flat angles C4'-P-C4' energy: -50.682
flat angles P-C4'-P energy: -41.447
tors. eta vs tors. theta energy: -55.388
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: 7
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -720.137631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.137631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.137631 (E_RNA)
where:
Base-Base interactions energy: -498.667
where: short stacking energy: -211.756
Base-Backbone interact. energy: -0.979
local terms energy: -220.491513
where:
bonds (distance) C4'-P energy: -41.924
bonds (distance) P-C4' energy: -42.558
flat angles C4'-P-C4' energy: -52.834
flat angles P-C4'-P energy: -29.369
tors. eta vs tors. theta energy: -53.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -594.376946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.376946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.376946 (E_RNA)
where:
Base-Base interactions energy: -371.507
where: short stacking energy: -176.595
Base-Backbone interact. energy: -1.029
local terms energy: -221.840783
where:
bonds (distance) C4'-P energy: -55.415
bonds (distance) P-C4' energy: -41.517
flat angles C4'-P-C4' energy: -47.982
flat angles P-C4'-P energy: -39.969
tors. eta vs tors. theta energy: -36.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -406.932688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.932688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.932688 (E_RNA)
where:
Base-Base interactions energy: -251.269
where: short stacking energy: -115.962
Base-Backbone interact. energy: 3.908
local terms energy: -159.572438
where:
bonds (distance) C4'-P energy: -47.669
bonds (distance) P-C4' energy: -41.356
flat angles C4'-P-C4' energy: -35.104
flat angles P-C4'-P energy: -22.875
tors. eta vs tors. theta energy: -12.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -973.138018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.138018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.138018 (E_RNA)
where:
Base-Base interactions energy: -674.736
where: short stacking energy: -294.339
Base-Backbone interact. energy: -0.665
local terms energy: -297.736454
where:
bonds (distance) C4'-P energy: -52.472
bonds (distance) P-C4' energy: -44.755
flat angles C4'-P-C4' energy: -66.500
flat angles P-C4'-P energy: -47.607
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: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -941.714480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.714480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.714480 (E_RNA)
where:
Base-Base interactions energy: -659.040
where: short stacking energy: -276.867
Base-Backbone interact. energy: -1.364
local terms energy: -281.310444
where:
bonds (distance) C4'-P energy: -56.303
bonds (distance) P-C4' energy: -48.829
flat angles C4'-P-C4' energy: -56.541
flat angles P-C4'-P energy: -43.438
tors. eta vs tors. theta energy: -76.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -892.062192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.062192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.062192 (E_RNA)
where:
Base-Base interactions energy: -613.893
where: short stacking energy: -259.956
Base-Backbone interact. energy: 0.859
local terms energy: -279.027940
where:
bonds (distance) C4'-P energy: -50.802
bonds (distance) P-C4' energy: -51.760
flat angles C4'-P-C4' energy: -56.218
flat angles P-C4'-P energy: -42.243
tors. eta vs tors. theta energy: -78.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -865.896391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.896391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.896391 (E_RNA)
where:
Base-Base interactions energy: -593.793
where: short stacking energy: -256.945
Base-Backbone interact. energy: -0.299
local terms energy: -271.804385
where:
bonds (distance) C4'-P energy: -50.440
bonds (distance) P-C4' energy: -48.587
flat angles C4'-P-C4' energy: -57.293
flat angles P-C4'-P energy: -38.362
tors. eta vs tors. theta energy: -77.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -840.784632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.784632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.784632 (E_RNA)
where:
Base-Base interactions energy: -569.354
where: short stacking energy: -245.799
Base-Backbone interact. energy: 1.290
local terms energy: -272.720711
where:
bonds (distance) C4'-P energy: -51.597
bonds (distance) P-C4' energy: -58.209
flat angles C4'-P-C4' energy: -56.581
flat angles P-C4'-P energy: -33.933
tors. eta vs tors. theta energy: -72.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -767.493152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.493152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.493152 (E_RNA)
where:
Base-Base interactions energy: -521.546
where: short stacking energy: -229.897
Base-Backbone interact. energy: 1.928
local terms energy: -247.874957
where:
bonds (distance) C4'-P energy: -46.555
bonds (distance) P-C4' energy: -45.197
flat angles C4'-P-C4' energy: -50.757
flat angles P-C4'-P energy: -35.846
tors. eta vs tors. theta energy: -69.520
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: 5
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -786.120237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.120237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.120237 (E_RNA)
where:
Base-Base interactions energy: -543.163
where: short stacking energy: -233.069
Base-Backbone interact. energy: -1.171
local terms energy: -241.786340
where:
bonds (distance) C4'-P energy: -44.722
bonds (distance) P-C4' energy: -43.770
flat angles C4'-P-C4' energy: -56.004
flat angles P-C4'-P energy: -31.805
tors. eta vs tors. theta energy: -65.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -714.778818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.778818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.778818 (E_RNA)
where:
Base-Base interactions energy: -482.137
where: short stacking energy: -196.332
Base-Backbone interact. energy: 2.818
local terms energy: -235.459939
where:
bonds (distance) C4'-P energy: -44.476
bonds (distance) P-C4' energy: -51.694
flat angles C4'-P-C4' energy: -50.129
flat angles P-C4'-P energy: -38.060
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: 9, replica: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -578.270625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.270625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.270625 (E_RNA)
where:
Base-Base interactions energy: -385.137
where: short stacking energy: -162.479
Base-Backbone interact. energy: 1.302
local terms energy: -194.435540
where:
bonds (distance) C4'-P energy: -35.309
bonds (distance) P-C4' energy: -51.549
flat angles C4'-P-C4' energy: -37.012
flat angles P-C4'-P energy: -39.595
tors. eta vs tors. theta energy: -30.971
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: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -396.012407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.012407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.012407 (E_RNA)
where:
Base-Base interactions energy: -239.444
where: short stacking energy: -104.052
Base-Backbone interact. energy: 0.923
local terms energy: -157.491684
where:
bonds (distance) C4'-P energy: -40.610
bonds (distance) P-C4' energy: -42.453
flat angles C4'-P-C4' energy: -48.442
flat angles P-C4'-P energy: -16.628
tors. eta vs tors. theta energy: -9.359
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: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -970.243347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.243347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.243347 (E_RNA)
where:
Base-Base interactions energy: -678.663
where: short stacking energy: -294.237
Base-Backbone interact. energy: 0.057
local terms energy: -291.637787
where:
bonds (distance) C4'-P energy: -43.462
bonds (distance) P-C4' energy: -53.212
flat angles C4'-P-C4' energy: -65.372
flat angles P-C4'-P energy: -40.031
tors. eta vs tors. theta energy: -89.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -930.816709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.816709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.816709 (E_RNA)
where:
Base-Base interactions energy: -634.059
where: short stacking energy: -266.795
Base-Backbone interact. energy: -0.998
local terms energy: -295.759188
where:
bonds (distance) C4'-P energy: -50.114
bonds (distance) P-C4' energy: -58.773
flat angles C4'-P-C4' energy: -61.914
flat angles P-C4'-P energy: -38.752
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: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -884.238670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.238670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.238670 (E_RNA)
where:
Base-Base interactions energy: -614.857
where: short stacking energy: -261.368
Base-Backbone interact. energy: -1.333
local terms energy: -268.049156
where:
bonds (distance) C4'-P energy: -53.010
bonds (distance) P-C4' energy: -49.339
flat angles C4'-P-C4' energy: -57.337
flat angles P-C4'-P energy: -29.988
tors. eta vs tors. theta energy: -78.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -858.098457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.098457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.098457 (E_RNA)
where:
Base-Base interactions energy: -595.949
where: short stacking energy: -261.489
Base-Backbone interact. energy: -0.502
local terms energy: -261.648368
where:
bonds (distance) C4'-P energy: -44.761
bonds (distance) P-C4' energy: -53.790
flat angles C4'-P-C4' energy: -61.361
flat angles P-C4'-P energy: -35.674
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: 5, replica: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -817.738424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.738424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.738424 (E_RNA)
where:
Base-Base interactions energy: -555.958
where: short stacking energy: -235.977
Base-Backbone interact. energy: -0.376
local terms energy: -261.404109
where:
bonds (distance) C4'-P energy: -51.548
bonds (distance) P-C4' energy: -50.918
flat angles C4'-P-C4' energy: -51.299
flat angles P-C4'-P energy: -38.551
tors. eta vs tors. theta energy: -69.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -791.896449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.896449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.896449 (E_RNA)
where:
Base-Base interactions energy: -552.536
where: short stacking energy: -234.905
Base-Backbone interact. energy: -0.813
local terms energy: -238.547824
where:
bonds (distance) C4'-P energy: -45.480
bonds (distance) P-C4' energy: -46.582
flat angles C4'-P-C4' energy: -39.555
flat angles P-C4'-P energy: -36.985
tors. eta vs tors. theta energy: -69.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -780.530290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.530290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.530290 (E_RNA)
where:
Base-Base interactions energy: -549.911
where: short stacking energy: -232.483
Base-Backbone interact. energy: 1.004
local terms energy: -231.623509
where:
bonds (distance) C4'-P energy: -48.355
bonds (distance) P-C4' energy: -49.733
flat angles C4'-P-C4' energy: -47.554
flat angles P-C4'-P energy: -20.866
tors. eta vs tors. theta energy: -65.116
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: 7
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -752.428114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.428114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.428114 (E_RNA)
where:
Base-Base interactions energy: -510.914
where: short stacking energy: -211.474
Base-Backbone interact. energy: -1.142
local terms energy: -240.372214
where:
bonds (distance) C4'-P energy: -41.983
bonds (distance) P-C4' energy: -46.415
flat angles C4'-P-C4' energy: -57.506
flat angles P-C4'-P energy: -37.169
tors. eta vs tors. theta energy: -57.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -556.225882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.225882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.225882 (E_RNA)
where:
Base-Base interactions energy: -373.037
where: short stacking energy: -160.751
Base-Backbone interact. energy: 1.673
local terms energy: -184.861814
where:
bonds (distance) C4'-P energy: -44.721
bonds (distance) P-C4' energy: -36.356
flat angles C4'-P-C4' energy: -43.255
flat angles P-C4'-P energy: -24.766
tors. eta vs tors. theta energy: -35.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -395.825801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.825801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.825801 (E_RNA)
where:
Base-Base interactions energy: -230.305
where: short stacking energy: -104.458
Base-Backbone interact. energy: 0.951
local terms energy: -166.472225
where:
bonds (distance) C4'-P energy: -32.724
bonds (distance) P-C4' energy: -53.777
flat angles C4'-P-C4' energy: -42.908
flat angles P-C4'-P energy: -29.271
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: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -966.206544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.206544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.206544 (E_RNA)
where:
Base-Base interactions energy: -680.908
where: short stacking energy: -308.043
Base-Backbone interact. energy: -0.880
local terms energy: -284.418789
where:
bonds (distance) C4'-P energy: -47.767
bonds (distance) P-C4' energy: -50.199
flat angles C4'-P-C4' energy: -58.050
flat angles P-C4'-P energy: -36.755
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: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -930.244971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.244971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.244971 (E_RNA)
where:
Base-Base interactions energy: -640.551
where: short stacking energy: -271.753
Base-Backbone interact. energy: 2.326
local terms energy: -292.020052
where:
bonds (distance) C4'-P energy: -55.431
bonds (distance) P-C4' energy: -55.432
flat angles C4'-P-C4' energy: -61.830
flat angles P-C4'-P energy: -39.316
tors. eta vs tors. theta energy: -80.011
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: 1
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -884.650036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.650036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.650036 (E_RNA)
where:
Base-Base interactions energy: -604.394
where: short stacking energy: -260.514
Base-Backbone interact. energy: 0.653
local terms energy: -280.908207
where:
bonds (distance) C4'-P energy: -44.829
bonds (distance) P-C4' energy: -50.366
flat angles C4'-P-C4' energy: -63.461
flat angles P-C4'-P energy: -43.920
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: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -831.623903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.623903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.623903 (E_RNA)
where:
Base-Base interactions energy: -569.591
where: short stacking energy: -232.602
Base-Backbone interact. energy: -0.644
local terms energy: -261.389586
where:
bonds (distance) C4'-P energy: -44.595
bonds (distance) P-C4' energy: -52.797
flat angles C4'-P-C4' energy: -63.185
flat angles P-C4'-P energy: -34.789
tors. eta vs tors. theta energy: -66.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -839.120725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.120725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.120725 (E_RNA)
where:
Base-Base interactions energy: -586.458
where: short stacking energy: -256.412
Base-Backbone interact. energy: -1.194
local terms energy: -251.468588
where:
bonds (distance) C4'-P energy: -43.003
bonds (distance) P-C4' energy: -48.655
flat angles C4'-P-C4' energy: -49.209
flat angles P-C4'-P energy: -33.704
tors. eta vs tors. theta energy: -76.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -785.569320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.569320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.569320 (E_RNA)
where:
Base-Base interactions energy: -542.297
where: short stacking energy: -225.970
Base-Backbone interact. energy: -0.226
local terms energy: -243.046125
where:
bonds (distance) C4'-P energy: -45.622
bonds (distance) P-C4' energy: -47.505
flat angles C4'-P-C4' energy: -49.464
flat angles P-C4'-P energy: -32.558
tors. eta vs tors. theta energy: -67.898
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: 5
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -777.064779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.064779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.064779 (E_RNA)
where:
Base-Base interactions energy: -553.677
where: short stacking energy: -237.023
Base-Backbone interact. energy: 2.636
local terms energy: -226.023111
where:
bonds (distance) C4'-P energy: -41.710
bonds (distance) P-C4' energy: -49.417
flat angles C4'-P-C4' energy: -45.133
flat angles P-C4'-P energy: -34.350
tors. eta vs tors. theta energy: -55.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -738.597224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.597224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.597224 (E_RNA)
where:
Base-Base interactions energy: -525.385
where: short stacking energy: -213.677
Base-Backbone interact. energy: -0.623
local terms energy: -212.589697
where:
bonds (distance) C4'-P energy: -39.856
bonds (distance) P-C4' energy: -33.732
flat angles C4'-P-C4' energy: -49.194
flat angles P-C4'-P energy: -31.702
tors. eta vs tors. theta energy: -58.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -607.005269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.005269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.005269 (E_RNA)
where:
Base-Base interactions energy: -410.451
where: short stacking energy: -175.568
Base-Backbone interact. energy: 0.092
local terms energy: -196.646428
where:
bonds (distance) C4'-P energy: -37.733
bonds (distance) P-C4' energy: -37.670
flat angles C4'-P-C4' energy: -44.713
flat angles P-C4'-P energy: -33.422
tors. eta vs tors. theta energy: -43.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -424.837759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.837759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.837759 (E_RNA)
where:
Base-Base interactions energy: -242.499
where: short stacking energy: -113.526
Base-Backbone interact. energy: -2.123
local terms energy: -180.215163
where:
bonds (distance) C4'-P energy: -39.744
bonds (distance) P-C4' energy: -56.510
flat angles C4'-P-C4' energy: -42.904
flat angles P-C4'-P energy: -30.025
tors. eta vs tors. theta energy: -11.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -967.405095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.405095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.405095 (E_RNA)
where:
Base-Base interactions energy: -672.476
where: short stacking energy: -299.646
Base-Backbone interact. energy: -1.172
local terms energy: -293.756882
where:
bonds (distance) C4'-P energy: -43.931
bonds (distance) P-C4' energy: -51.279
flat angles C4'-P-C4' energy: -58.197
flat angles P-C4'-P energy: -50.384
tors. eta vs tors. theta energy: -89.967
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: 9
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -953.031946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.031946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.031946 (E_RNA)
where:
Base-Base interactions energy: -654.590
where: short stacking energy: -286.566
Base-Backbone interact. energy: -1.262
local terms energy: -297.179327
where:
bonds (distance) C4'-P energy: -52.654
bonds (distance) P-C4' energy: -57.066
flat angles C4'-P-C4' energy: -56.714
flat angles P-C4'-P energy: -41.797
tors. eta vs tors. theta energy: -88.949
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: 3, replica: 1
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -880.356974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.356974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.356974 (E_RNA)
where:
Base-Base interactions energy: -592.389
where: short stacking energy: -261.389
Base-Backbone interact. energy: -1.126
local terms energy: -286.842152
where:
bonds (distance) C4'-P energy: -51.916
bonds (distance) P-C4' energy: -59.445
flat angles C4'-P-C4' energy: -57.556
flat angles P-C4'-P energy: -38.881
tors. eta vs tors. theta energy: -79.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -825.454218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.454218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.454218 (E_RNA)
where:
Base-Base interactions energy: -571.558
where: short stacking energy: -256.791
Base-Backbone interact. energy: 3.707
local terms energy: -257.603379
where:
bonds (distance) C4'-P energy: -46.705
bonds (distance) P-C4' energy: -48.850
flat angles C4'-P-C4' energy: -58.078
flat angles P-C4'-P energy: -39.574
tors. eta vs tors. theta energy: -64.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -833.442376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.442376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.442376 (E_RNA)
where:
Base-Base interactions energy: -566.533
where: short stacking energy: -246.152
Base-Backbone interact. energy: -1.104
local terms energy: -265.805874
where:
bonds (distance) C4'-P energy: -43.465
bonds (distance) P-C4' energy: -48.915
flat angles C4'-P-C4' energy: -61.450
flat angles P-C4'-P energy: -34.542
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: 6, replica: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -799.373346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.373346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.373346 (E_RNA)
where:
Base-Base interactions energy: -537.436
where: short stacking energy: -237.817
Base-Backbone interact. energy: 0.578
local terms energy: -262.515481
where:
bonds (distance) C4'-P energy: -46.205
bonds (distance) P-C4' energy: -46.755
flat angles C4'-P-C4' energy: -54.282
flat angles P-C4'-P energy: -42.566
tors. eta vs tors. theta energy: -72.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -781.211761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.211761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.211761 (E_RNA)
where:
Base-Base interactions energy: -554.228
where: short stacking energy: -231.103
Base-Backbone interact. energy: -0.905
local terms energy: -226.079169
where:
bonds (distance) C4'-P energy: -31.338
bonds (distance) P-C4' energy: -48.966
flat angles C4'-P-C4' energy: -49.422
flat angles P-C4'-P energy: -32.015
tors. eta vs tors. theta energy: -64.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -714.617960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.617960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.617960 (E_RNA)
where:
Base-Base interactions energy: -504.803
where: short stacking energy: -199.347
Base-Backbone interact. energy: -1.338
local terms energy: -208.477565
where:
bonds (distance) C4'-P energy: -35.772
bonds (distance) P-C4' energy: -47.254
flat angles C4'-P-C4' energy: -44.300
flat angles P-C4'-P energy: -28.303
tors. eta vs tors. theta energy: -52.848
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: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -569.755706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.755706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.755706 (E_RNA)
where:
Base-Base interactions energy: -382.618
where: short stacking energy: -166.193
Base-Backbone interact. energy: -0.724
local terms energy: -186.413795
where:
bonds (distance) C4'-P energy: -46.253
bonds (distance) P-C4' energy: -39.846
flat angles C4'-P-C4' energy: -49.810
flat angles P-C4'-P energy: -24.920
tors. eta vs tors. theta energy: -25.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -409.296308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.296308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.296308 (E_RNA)
where:
Base-Base interactions energy: -239.069
where: short stacking energy: -105.310
Base-Backbone interact. energy: 1.498
local terms energy: -171.724906
where:
bonds (distance) C4'-P energy: -46.073
bonds (distance) P-C4' energy: -47.444
flat angles C4'-P-C4' energy: -53.152
flat angles P-C4'-P energy: -20.709
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: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -938.047540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.047540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.047540 (E_RNA)
where:
Base-Base interactions energy: -637.355
where: short stacking energy: -278.816
Base-Backbone interact. energy: -0.670
local terms energy: -300.022766
where:
bonds (distance) C4'-P energy: -56.917
bonds (distance) P-C4' energy: -54.908
flat angles C4'-P-C4' energy: -59.957
flat angles P-C4'-P energy: -38.371
tors. eta vs tors. theta energy: -89.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -929.568647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.568647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.568647 (E_RNA)
where:
Base-Base interactions energy: -646.398
where: short stacking energy: -275.910
Base-Backbone interact. energy: -1.652
local terms energy: -281.518382
where:
bonds (distance) C4'-P energy: -37.657
bonds (distance) P-C4' energy: -56.875
flat angles C4'-P-C4' energy: -59.340
flat angles P-C4'-P energy: -42.712
tors. eta vs tors. theta energy: -84.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -912.090779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.090779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.090779 (E_RNA)
where:
Base-Base interactions energy: -636.473
where: short stacking energy: -282.943
Base-Backbone interact. energy: -0.481
local terms energy: -275.136235
where:
bonds (distance) C4'-P energy: -43.089
bonds (distance) P-C4' energy: -58.561
flat angles C4'-P-C4' energy: -54.427
flat angles P-C4'-P energy: -40.193
tors. eta vs tors. theta energy: -78.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -851.402376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.402376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.402376 (E_RNA)
where:
Base-Base interactions energy: -581.069
where: short stacking energy: -244.565
Base-Backbone interact. energy: -0.036
local terms energy: -270.297326
where:
bonds (distance) C4'-P energy: -43.933
bonds (distance) P-C4' energy: -52.789
flat angles C4'-P-C4' energy: -57.266
flat angles P-C4'-P energy: -42.721
tors. eta vs tors. theta energy: -73.589
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: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -824.355327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.355327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.355327 (E_RNA)
where:
Base-Base interactions energy: -569.300
where: short stacking energy: -230.310
Base-Backbone interact. energy: -0.540
local terms energy: -254.515466
where:
bonds (distance) C4'-P energy: -48.116
bonds (distance) P-C4' energy: -49.530
flat angles C4'-P-C4' energy: -49.541
flat angles P-C4'-P energy: -40.096
tors. eta vs tors. theta energy: -67.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -792.665672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.665672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.665672 (E_RNA)
where:
Base-Base interactions energy: -541.106
where: short stacking energy: -216.976
Base-Backbone interact. energy: 3.490
local terms energy: -255.049427
where:
bonds (distance) C4'-P energy: -43.648
bonds (distance) P-C4' energy: -57.361
flat angles C4'-P-C4' energy: -52.431
flat angles P-C4'-P energy: -39.865
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: 151
Temperature: 1.200000
Total energy: -802.309494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.309494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.309494 (E_RNA)
where:
Base-Base interactions energy: -550.460
where: short stacking energy: -228.545
Base-Backbone interact. energy: -0.522
local terms energy: -251.327373
where:
bonds (distance) C4'-P energy: -52.402
bonds (distance) P-C4' energy: -49.119
flat angles C4'-P-C4' energy: -56.012
flat angles P-C4'-P energy: -32.703
tors. eta vs tors. theta energy: -61.092
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: 151
Temperature: 1.250000
Total energy: -741.667706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.667706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.667706 (E_RNA)
where:
Base-Base interactions energy: -515.153
where: short stacking energy: -210.565
Base-Backbone interact. energy: -2.131
local terms energy: -224.383770
where:
bonds (distance) C4'-P energy: -41.714
bonds (distance) P-C4' energy: -46.686
flat angles C4'-P-C4' energy: -47.308
flat angles P-C4'-P energy: -33.700
tors. eta vs tors. theta energy: -54.975
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: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -560.101225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.101225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.101225 (E_RNA)
where:
Base-Base interactions energy: -362.798
where: short stacking energy: -142.153
Base-Backbone interact. energy: -0.414
local terms energy: -196.888300
where:
bonds (distance) C4'-P energy: -49.763
bonds (distance) P-C4' energy: -46.187
flat angles C4'-P-C4' energy: -44.190
flat angles P-C4'-P energy: -25.067
tors. eta vs tors. theta energy: -31.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -393.853948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.853948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.853948 (E_RNA)
where:
Base-Base interactions energy: -209.922
where: short stacking energy: -99.873
Base-Backbone interact. energy: -0.555
local terms energy: -183.376486
where:
bonds (distance) C4'-P energy: -45.809
bonds (distance) P-C4' energy: -50.414
flat angles C4'-P-C4' energy: -46.710
flat angles P-C4'-P energy: -29.756
tors. eta vs tors. theta energy: -10.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -965.715284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.715284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.715284 (E_RNA)
where:
Base-Base interactions energy: -684.418
where: short stacking energy: -302.004
Base-Backbone interact. energy: -2.445
local terms energy: -278.852278
where:
bonds (distance) C4'-P energy: -49.613
bonds (distance) P-C4' energy: -43.769
flat angles C4'-P-C4' energy: -62.389
flat angles P-C4'-P energy: -36.617
tors. eta vs tors. theta energy: -86.464
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: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -939.501268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.501268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.501268 (E_RNA)
where:
Base-Base interactions energy: -665.750
where: short stacking energy: -268.719
Base-Backbone interact. energy: 0.533
local terms energy: -274.284347
where:
bonds (distance) C4'-P energy: -58.644
bonds (distance) P-C4' energy: -49.885
flat angles C4'-P-C4' energy: -53.212
flat angles P-C4'-P energy: -33.684
tors. eta vs tors. theta energy: -78.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -894.500502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.500502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.500502 (E_RNA)
where:
Base-Base interactions energy: -609.143
where: short stacking energy: -268.719
Base-Backbone interact. energy: -0.433
local terms energy: -284.924940
where:
bonds (distance) C4'-P energy: -45.550
bonds (distance) P-C4' energy: -55.479
flat angles C4'-P-C4' energy: -59.249
flat angles P-C4'-P energy: -45.366
tors. eta vs tors. theta energy: -79.281
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: 152
Temperature: 1.050000
Total energy: -845.101225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.101225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.101225 (E_RNA)
where:
Base-Base interactions energy: -585.534
where: short stacking energy: -254.364
Base-Backbone interact. energy: -0.360
local terms energy: -259.207369
where:
bonds (distance) C4'-P energy: -48.250
bonds (distance) P-C4' energy: -45.457
flat angles C4'-P-C4' energy: -52.607
flat angles P-C4'-P energy: -34.939
tors. eta vs tors. theta energy: -77.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -829.409455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.409455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.409455 (E_RNA)
where:
Base-Base interactions energy: -558.388
where: short stacking energy: -247.136
Base-Backbone interact. energy: -0.956
local terms energy: -270.065201
where:
bonds (distance) C4'-P energy: -52.910
bonds (distance) P-C4' energy: -57.649
flat angles C4'-P-C4' energy: -57.997
flat angles P-C4'-P energy: -40.179
tors. eta vs tors. theta energy: -61.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -801.725119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.725119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.725119 (E_RNA)
where:
Base-Base interactions energy: -550.100
where: short stacking energy: -237.062
Base-Backbone interact. energy: 0.685
local terms energy: -252.309777
where:
bonds (distance) C4'-P energy: -44.891
bonds (distance) P-C4' energy: -46.538
flat angles C4'-P-C4' energy: -60.134
flat angles P-C4'-P energy: -32.483
tors. eta vs tors. theta energy: -68.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -794.732743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.732743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.732743 (E_RNA)
where:
Base-Base interactions energy: -546.986
where: short stacking energy: -225.917
Base-Backbone interact. energy: 2.092
local terms energy: -249.838799
where:
bonds (distance) C4'-P energy: -39.928
bonds (distance) P-C4' energy: -44.662
flat angles C4'-P-C4' energy: -54.633
flat angles P-C4'-P energy: -41.900
tors. eta vs tors. theta energy: -68.715
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: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -746.932037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.932037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.932037 (E_RNA)
where:
Base-Base interactions energy: -523.166
where: short stacking energy: -202.530
Base-Backbone interact. energy: -1.023
local terms energy: -222.742692
where:
bonds (distance) C4'-P energy: -39.513
bonds (distance) P-C4' energy: -47.284
flat angles C4'-P-C4' energy: -45.778
flat angles P-C4'-P energy: -33.340
tors. eta vs tors. theta energy: -56.827
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: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -567.723276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.723276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.723276 (E_RNA)
where:
Base-Base interactions energy: -383.924
where: short stacking energy: -175.459
Base-Backbone interact. energy: 1.721
local terms energy: -185.520250
where:
bonds (distance) C4'-P energy: -41.027
bonds (distance) P-C4' energy: -40.240
flat angles C4'-P-C4' energy: -35.589
flat angles P-C4'-P energy: -33.679
tors. eta vs tors. theta energy: -34.986
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: 152
Temperature: 1.350000
Total energy: -370.483908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.483908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.483908 (E_RNA)
where:
Base-Base interactions energy: -207.259
where: short stacking energy: -95.691
Base-Backbone interact. energy: -0.707
local terms energy: -162.517316
where:
bonds (distance) C4'-P energy: -42.671
bonds (distance) P-C4' energy: -35.729
flat angles C4'-P-C4' energy: -40.462
flat angles P-C4'-P energy: -30.387
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -951.127790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.127790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.127790 (E_RNA)
where:
Base-Base interactions energy: -655.984
where: short stacking energy: -276.965
Base-Backbone interact. energy: -1.128
local terms energy: -294.015571
where:
bonds (distance) C4'-P energy: -53.610
bonds (distance) P-C4' energy: -53.306
flat angles C4'-P-C4' energy: -61.954
flat angles P-C4'-P energy: -42.779
tors. eta vs tors. theta energy: -82.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -930.345684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.345684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.345684 (E_RNA)
where:
Base-Base interactions energy: -649.026
where: short stacking energy: -276.386
Base-Backbone interact. energy: -1.624
local terms energy: -279.695813
where:
bonds (distance) C4'-P energy: -47.975
bonds (distance) P-C4' energy: -53.084
flat angles C4'-P-C4' energy: -59.014
flat angles P-C4'-P energy: -42.092
tors. eta vs tors. theta energy: -77.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -869.398780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.398780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.398780 (E_RNA)
where:
Base-Base interactions energy: -610.449
where: short stacking energy: -254.698
Base-Backbone interact. energy: -0.692
local terms energy: -258.257724
where:
bonds (distance) C4'-P energy: -44.938
bonds (distance) P-C4' energy: -46.675
flat angles C4'-P-C4' energy: -55.401
flat angles P-C4'-P energy: -41.253
tors. eta vs tors. theta energy: -69.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -856.545150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.545150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.545150 (E_RNA)
where:
Base-Base interactions energy: -577.080
where: short stacking energy: -253.034
Base-Backbone interact. energy: -0.563
local terms energy: -278.902220
where:
bonds (distance) C4'-P energy: -49.804
bonds (distance) P-C4' energy: -46.042
flat angles C4'-P-C4' energy: -59.601
flat angles P-C4'-P energy: -45.053
tors. eta vs tors. theta energy: -78.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -824.010758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.010758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.010758 (E_RNA)
where:
Base-Base interactions energy: -572.831
where: short stacking energy: -242.484
Base-Backbone interact. energy: -1.382
local terms energy: -249.797446
where:
bonds (distance) C4'-P energy: -51.272
bonds (distance) P-C4' energy: -36.919
flat angles C4'-P-C4' energy: -58.452
flat angles P-C4'-P energy: -38.286
tors. eta vs tors. theta energy: -64.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -790.265369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.265369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.265369 (E_RNA)
where:
Base-Base interactions energy: -534.533
where: short stacking energy: -236.353
Base-Backbone interact. energy: -0.517
local terms energy: -255.215664
where:
bonds (distance) C4'-P energy: -51.847
bonds (distance) P-C4' energy: -45.524
flat angles C4'-P-C4' energy: -61.461
flat angles P-C4'-P energy: -28.765
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: 7, replica: 2
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -768.075177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.075177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.075177 (E_RNA)
where:
Base-Base interactions energy: -531.231
where: short stacking energy: -225.130
Base-Backbone interact. energy: -1.400
local terms energy: -235.444503
where:
bonds (distance) C4'-P energy: -43.118
bonds (distance) P-C4' energy: -49.086
flat angles C4'-P-C4' energy: -47.030
flat angles P-C4'-P energy: -35.669
tors. eta vs tors. theta energy: -60.541
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: 153
Temperature: 1.250000
Total energy: -717.360672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.360672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.360672 (E_RNA)
where:
Base-Base interactions energy: -492.841
where: short stacking energy: -196.570
Base-Backbone interact. energy: -2.021
local terms energy: -222.497988
where:
bonds (distance) C4'-P energy: -47.693
bonds (distance) P-C4' energy: -45.122
flat angles C4'-P-C4' energy: -43.499
flat angles P-C4'-P energy: -30.999
tors. eta vs tors. theta energy: -55.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -588.071777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.071777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.071777 (E_RNA)
where:
Base-Base interactions energy: -370.416
where: short stacking energy: -146.356
Base-Backbone interact. energy: 0.043
local terms energy: -217.698226
where:
bonds (distance) C4'-P energy: -48.626
bonds (distance) P-C4' energy: -54.122
flat angles C4'-P-C4' energy: -44.912
flat angles P-C4'-P energy: -34.416
tors. eta vs tors. theta energy: -35.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -385.813946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.813946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.813946 (E_RNA)
where:
Base-Base interactions energy: -226.171
where: short stacking energy: -108.844
Base-Backbone interact. energy: -0.021
local terms energy: -159.621881
where:
bonds (distance) C4'-P energy: -35.079
bonds (distance) P-C4' energy: -33.895
flat angles C4'-P-C4' energy: -52.525
flat angles P-C4'-P energy: -31.475
tors. eta vs tors. theta energy: -6.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -948.501199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.501199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.501199 (E_RNA)
where:
Base-Base interactions energy: -657.146
where: short stacking energy: -277.885
Base-Backbone interact. energy: -2.142
local terms energy: -289.213543
where:
bonds (distance) C4'-P energy: -52.975
bonds (distance) P-C4' energy: -57.468
flat angles C4'-P-C4' energy: -58.186
flat angles P-C4'-P energy: -36.869
tors. eta vs tors. theta energy: -83.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -929.695843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.695843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.695843 (E_RNA)
where:
Base-Base interactions energy: -648.047
where: short stacking energy: -281.498
Base-Backbone interact. energy: -0.511
local terms energy: -281.137397
where:
bonds (distance) C4'-P energy: -42.288
bonds (distance) P-C4' energy: -51.345
flat angles C4'-P-C4' energy: -59.125
flat angles P-C4'-P energy: -43.633
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: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -857.405765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.405765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.405765 (E_RNA)
where:
Base-Base interactions energy: -578.261
where: short stacking energy: -237.782
Base-Backbone interact. energy: -1.020
local terms energy: -278.125083
where:
bonds (distance) C4'-P energy: -53.896
bonds (distance) P-C4' energy: -49.006
flat angles C4'-P-C4' energy: -60.715
flat angles P-C4'-P energy: -43.491
tors. eta vs tors. theta energy: -71.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -852.939269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.939269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.939269 (E_RNA)
where:
Base-Base interactions energy: -595.978
where: short stacking energy: -254.385
Base-Backbone interact. energy: -1.664
local terms energy: -255.297578
where:
bonds (distance) C4'-P energy: -42.056
bonds (distance) P-C4' energy: -47.728
flat angles C4'-P-C4' energy: -52.951
flat angles P-C4'-P energy: -39.827
tors. eta vs tors. theta energy: -72.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -812.106816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.106816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.106816 (E_RNA)
where:
Base-Base interactions energy: -572.148
where: short stacking energy: -263.423
Base-Backbone interact. energy: -0.443
local terms energy: -239.515761
where:
bonds (distance) C4'-P energy: -40.048
bonds (distance) P-C4' energy: -45.111
flat angles C4'-P-C4' energy: -52.091
flat angles P-C4'-P energy: -30.426
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: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -818.433351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.433351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.433351 (E_RNA)
where:
Base-Base interactions energy: -564.212
where: short stacking energy: -237.933
Base-Backbone interact. energy: -0.555
local terms energy: -253.666270
where:
bonds (distance) C4'-P energy: -45.166
bonds (distance) P-C4' energy: -45.217
flat angles C4'-P-C4' energy: -48.319
flat angles P-C4'-P energy: -42.726
tors. eta vs tors. theta energy: -72.238
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: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -760.227092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.227092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.227092 (E_RNA)
where:
Base-Base interactions energy: -538.990
where: short stacking energy: -219.381
Base-Backbone interact. energy: 0.135
local terms energy: -221.371699
where:
bonds (distance) C4'-P energy: -43.410
bonds (distance) P-C4' energy: -43.433
flat angles C4'-P-C4' energy: -49.395
flat angles P-C4'-P energy: -28.444
tors. eta vs tors. theta energy: -56.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -665.477181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.477181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.477181 (E_RNA)
where:
Base-Base interactions energy: -459.655
where: short stacking energy: -178.221
Base-Backbone interact. energy: -1.496
local terms energy: -204.326052
where:
bonds (distance) C4'-P energy: -33.378
bonds (distance) P-C4' energy: -45.401
flat angles C4'-P-C4' energy: -51.101
flat angles P-C4'-P energy: -34.968
tors. eta vs tors. theta energy: -39.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -581.971389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.971389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.971389 (E_RNA)
where:
Base-Base interactions energy: -382.655
where: short stacking energy: -181.735
Base-Backbone interact. energy: -0.389
local terms energy: -198.927511
where:
bonds (distance) C4'-P energy: -40.869
bonds (distance) P-C4' energy: -37.983
flat angles C4'-P-C4' energy: -42.076
flat angles P-C4'-P energy: -26.363
tors. eta vs tors. theta energy: -51.636
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: 154
Temperature: 1.350000
Total energy: -384.938156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.938156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.938156 (E_RNA)
where:
Base-Base interactions energy: -225.012
where: short stacking energy: -116.355
Base-Backbone interact. energy: -0.758
local terms energy: -159.168057
where:
bonds (distance) C4'-P energy: -43.346
bonds (distance) P-C4' energy: -41.806
flat angles C4'-P-C4' energy: -41.691
flat angles P-C4'-P energy: -23.457
tors. eta vs tors. theta energy: -8.869
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: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -946.622128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.622128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.622128 (E_RNA)
where:
Base-Base interactions energy: -660.634
where: short stacking energy: -273.591
Base-Backbone interact. energy: 1.333
local terms energy: -287.320355
where:
bonds (distance) C4'-P energy: -43.930
bonds (distance) P-C4' energy: -56.556
flat angles C4'-P-C4' energy: -57.775
flat angles P-C4'-P energy: -44.822
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: 9
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -935.427440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.427440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.427440 (E_RNA)
where:
Base-Base interactions energy: -645.651
where: short stacking energy: -280.472
Base-Backbone interact. energy: -0.598
local terms energy: -289.178677
where:
bonds (distance) C4'-P energy: -52.508
bonds (distance) P-C4' energy: -52.420
flat angles C4'-P-C4' energy: -56.521
flat angles P-C4'-P energy: -40.951
tors. eta vs tors. theta energy: -86.779
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: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -851.242647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.242647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.242647 (E_RNA)
where:
Base-Base interactions energy: -608.535
where: short stacking energy: -253.245
Base-Backbone interact. energy: -0.803
local terms energy: -241.904672
where:
bonds (distance) C4'-P energy: -47.101
bonds (distance) P-C4' energy: -36.870
flat angles C4'-P-C4' energy: -56.849
flat angles P-C4'-P energy: -32.859
tors. eta vs tors. theta energy: -68.225
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: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -857.573912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.573912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.573912 (E_RNA)
where:
Base-Base interactions energy: -587.555
where: short stacking energy: -263.248
Base-Backbone interact. energy: -1.148
local terms energy: -268.870698
where:
bonds (distance) C4'-P energy: -53.792
bonds (distance) P-C4' energy: -49.678
flat angles C4'-P-C4' energy: -62.744
flat angles P-C4'-P energy: -34.097
tors. eta vs tors. theta energy: -68.559
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: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -846.262194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.262194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.262194 (E_RNA)
where:
Base-Base interactions energy: -578.164
where: short stacking energy: -254.810
Base-Backbone interact. energy: -0.474
local terms energy: -267.623992
where:
bonds (distance) C4'-P energy: -44.079
bonds (distance) P-C4' energy: -51.702
flat angles C4'-P-C4' energy: -59.200
flat angles P-C4'-P energy: -33.968
tors. eta vs tors. theta energy: -78.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -818.229008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.229008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.229008 (E_RNA)
where:
Base-Base interactions energy: -553.332
where: short stacking energy: -250.074
Base-Backbone interact. energy: -2.082
local terms energy: -262.814254
where:
bonds (distance) C4'-P energy: -44.943
bonds (distance) P-C4' energy: -48.570
flat angles C4'-P-C4' energy: -61.273
flat angles P-C4'-P energy: -37.442
tors. eta vs tors. theta energy: -70.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -757.957505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.957505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.957505 (E_RNA)
where:
Base-Base interactions energy: -539.759
where: short stacking energy: -235.766
Base-Backbone interact. energy: -1.312
local terms energy: -216.886437
where:
bonds (distance) C4'-P energy: -35.085
bonds (distance) P-C4' energy: -48.591
flat angles C4'-P-C4' energy: -51.962
flat angles P-C4'-P energy: -18.320
tors. eta vs tors. theta energy: -62.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -682.610227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.610227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.610227 (E_RNA)
where:
Base-Base interactions energy: -467.952
where: short stacking energy: -199.296
Base-Backbone interact. energy: -0.411
local terms energy: -214.247036
where:
bonds (distance) C4'-P energy: -42.640
bonds (distance) P-C4' energy: -46.985
flat angles C4'-P-C4' energy: -44.208
flat angles P-C4'-P energy: -32.598
tors. eta vs tors. theta energy: -47.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -584.963162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.963162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.963162 (E_RNA)
where:
Base-Base interactions energy: -376.443
where: short stacking energy: -164.376
Base-Backbone interact. energy: 1.129
local terms energy: -209.649196
where:
bonds (distance) C4'-P energy: -50.760
bonds (distance) P-C4' energy: -46.420
flat angles C4'-P-C4' energy: -46.154
flat angles P-C4'-P energy: -32.917
tors. eta vs tors. theta energy: -33.398
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: 155
Temperature: 1.350000
Total energy: -413.718608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.718608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.718608 (E_RNA)
where:
Base-Base interactions energy: -228.608
where: short stacking energy: -116.389
Base-Backbone interact. energy: 1.101
local terms energy: -186.211913
where:
bonds (distance) C4'-P energy: -47.217
bonds (distance) P-C4' energy: -52.665
flat angles C4'-P-C4' energy: -35.018
flat angles P-C4'-P energy: -32.983
tors. eta vs tors. theta energy: -18.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -951.490586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.490586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.490586 (E_RNA)
where:
Base-Base interactions energy: -650.959
where: short stacking energy: -292.724
Base-Backbone interact. energy: -0.606
local terms energy: -299.925484
where:
bonds (distance) C4'-P energy: -55.407
bonds (distance) P-C4' energy: -54.516
flat angles C4'-P-C4' energy: -58.794
flat angles P-C4'-P energy: -44.765
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: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -942.522657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.522657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.522657 (E_RNA)
where:
Base-Base interactions energy: -648.737
where: short stacking energy: -275.179
Base-Backbone interact. energy: -1.093
local terms energy: -292.693028
where:
bonds (distance) C4'-P energy: -53.065
bonds (distance) P-C4' energy: -55.321
flat angles C4'-P-C4' energy: -60.295
flat angles P-C4'-P energy: -44.894
tors. eta vs tors. theta energy: -79.119
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: 6
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -870.062621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.062621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.062621 (E_RNA)
where:
Base-Base interactions energy: -581.188
where: short stacking energy: -253.436
Base-Backbone interact. energy: 0.584
local terms energy: -289.458809
where:
bonds (distance) C4'-P energy: -56.053
bonds (distance) P-C4' energy: -57.347
flat angles C4'-P-C4' energy: -61.287
flat angles P-C4'-P energy: -39.184
tors. eta vs tors. theta energy: -75.588
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: 4, replica: 1
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -840.869950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.869950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.869950 (E_RNA)
where:
Base-Base interactions energy: -572.368
where: short stacking energy: -246.081
Base-Backbone interact. energy: -1.430
local terms energy: -267.071675
where:
bonds (distance) C4'-P energy: -51.251
bonds (distance) P-C4' energy: -54.175
flat angles C4'-P-C4' energy: -49.819
flat angles P-C4'-P energy: -38.507
tors. eta vs tors. theta energy: -73.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -829.700470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.700470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.700470 (E_RNA)
where:
Base-Base interactions energy: -560.353
where: short stacking energy: -254.334
Base-Backbone interact. energy: -1.020
local terms energy: -268.328169
where:
bonds (distance) C4'-P energy: -43.511
bonds (distance) P-C4' energy: -54.300
flat angles C4'-P-C4' energy: -53.826
flat angles P-C4'-P energy: -35.535
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: 6, replica: 3
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -764.302753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.302753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.302753 (E_RNA)
where:
Base-Base interactions energy: -510.893
where: short stacking energy: -201.255
Base-Backbone interact. energy: -1.541
local terms energy: -251.868926
where:
bonds (distance) C4'-P energy: -52.822
bonds (distance) P-C4' energy: -48.337
flat angles C4'-P-C4' energy: -52.566
flat angles P-C4'-P energy: -40.413
tors. eta vs tors. theta energy: -57.730
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: 2
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -744.986565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.986565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.986565 (E_RNA)
where:
Base-Base interactions energy: -508.397
where: short stacking energy: -218.097
Base-Backbone interact. energy: -0.681
local terms energy: -235.908309
where:
bonds (distance) C4'-P energy: -40.207
bonds (distance) P-C4' energy: -57.481
flat angles C4'-P-C4' energy: -45.728
flat angles P-C4'-P energy: -39.984
tors. eta vs tors. theta energy: -52.508
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: 156
Temperature: 1.250000
Total energy: -646.839816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.839816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.839816 (E_RNA)
where:
Base-Base interactions energy: -431.425
where: short stacking energy: -190.918
Base-Backbone interact. energy: -1.253
local terms energy: -214.161735
where:
bonds (distance) C4'-P energy: -44.954
bonds (distance) P-C4' energy: -48.942
flat angles C4'-P-C4' energy: -49.268
flat angles P-C4'-P energy: -30.387
tors. eta vs tors. theta energy: -40.610
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: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -572.731246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.731246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.731246 (E_RNA)
where:
Base-Base interactions energy: -350.826
where: short stacking energy: -158.169
Base-Backbone interact. energy: -0.266
local terms energy: -221.639311
where:
bonds (distance) C4'-P energy: -44.339
bonds (distance) P-C4' energy: -51.624
flat angles C4'-P-C4' energy: -49.539
flat angles P-C4'-P energy: -31.071
tors. eta vs tors. theta energy: -45.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -441.438250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.438250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.438250 (E_RNA)
where:
Base-Base interactions energy: -258.890
where: short stacking energy: -133.483
Base-Backbone interact. energy: -3.137
local terms energy: -179.411009
where:
bonds (distance) C4'-P energy: -48.827
bonds (distance) P-C4' energy: -48.449
flat angles C4'-P-C4' energy: -47.217
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -23.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -961.475632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.475632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.475632 (E_RNA)
where:
Base-Base interactions energy: -665.858
where: short stacking energy: -292.614
Base-Backbone interact. energy: -0.403
local terms energy: -295.214637
where:
bonds (distance) C4'-P energy: -58.552
bonds (distance) P-C4' energy: -45.364
flat angles C4'-P-C4' energy: -59.238
flat angles P-C4'-P energy: -45.698
tors. eta vs tors. theta energy: -86.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -945.941053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.941053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.941053 (E_RNA)
where:
Base-Base interactions energy: -657.490
where: short stacking energy: -281.633
Base-Backbone interact. energy: -2.359
local terms energy: -286.092261
where:
bonds (distance) C4'-P energy: -58.073
bonds (distance) P-C4' energy: -48.725
flat angles C4'-P-C4' energy: -61.019
flat angles P-C4'-P energy: -43.048
tors. eta vs tors. theta energy: -75.228
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: 3, replica: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -873.201380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.201380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.201380 (E_RNA)
where:
Base-Base interactions energy: -603.044
where: short stacking energy: -262.893
Base-Backbone interact. energy: -0.600
local terms energy: -269.557869
where:
bonds (distance) C4'-P energy: -46.596
bonds (distance) P-C4' energy: -43.056
flat angles C4'-P-C4' energy: -57.681
flat angles P-C4'-P energy: -41.473
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: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -851.092172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.092172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.092172 (E_RNA)
where:
Base-Base interactions energy: -588.316
where: short stacking energy: -250.317
Base-Backbone interact. energy: -2.445
local terms energy: -260.331619
where:
bonds (distance) C4'-P energy: -52.919
bonds (distance) P-C4' energy: -52.396
flat angles C4'-P-C4' energy: -52.592
flat angles P-C4'-P energy: -33.531
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: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -847.250734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.250734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.250734 (E_RNA)
where:
Base-Base interactions energy: -590.128
where: short stacking energy: -256.541
Base-Backbone interact. energy: 0.909
local terms energy: -258.032247
where:
bonds (distance) C4'-P energy: -43.390
bonds (distance) P-C4' energy: -46.747
flat angles C4'-P-C4' energy: -51.614
flat angles P-C4'-P energy: -40.445
tors. eta vs tors. theta energy: -75.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -788.715903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.715903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.715903 (E_RNA)
where:
Base-Base interactions energy: -535.688
where: short stacking energy: -221.169
Base-Backbone interact. energy: -0.947
local terms energy: -252.080464
where:
bonds (distance) C4'-P energy: -44.654
bonds (distance) P-C4' energy: -46.948
flat angles C4'-P-C4' energy: -58.125
flat angles P-C4'-P energy: -40.424
tors. eta vs tors. theta energy: -61.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -741.549967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.549967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.549967 (E_RNA)
where:
Base-Base interactions energy: -494.309
where: short stacking energy: -222.739
Base-Backbone interact. energy: 3.661
local terms energy: -250.901910
where:
bonds (distance) C4'-P energy: -51.068
bonds (distance) P-C4' energy: -45.185
flat angles C4'-P-C4' energy: -51.902
flat angles P-C4'-P energy: -34.562
tors. eta vs tors. theta energy: -68.185
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: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -713.889800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.889800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.889800 (E_RNA)
where:
Base-Base interactions energy: -482.075
where: short stacking energy: -201.606
Base-Backbone interact. energy: -1.398
local terms energy: -230.416533
where:
bonds (distance) C4'-P energy: -57.240
bonds (distance) P-C4' energy: -43.572
flat angles C4'-P-C4' energy: -47.833
flat angles P-C4'-P energy: -31.948
tors. eta vs tors. theta energy: -49.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -584.212299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.212299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.212299 (E_RNA)
where:
Base-Base interactions energy: -385.631
where: short stacking energy: -162.524
Base-Backbone interact. energy: 0.294
local terms energy: -198.874741
where:
bonds (distance) C4'-P energy: -37.899
bonds (distance) P-C4' energy: -36.450
flat angles C4'-P-C4' energy: -50.877
flat angles P-C4'-P energy: -32.286
tors. eta vs tors. theta energy: -41.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -397.696406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.696406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.696406 (E_RNA)
where:
Base-Base interactions energy: -227.022
where: short stacking energy: -125.082
Base-Backbone interact. energy: -1.143
local terms energy: -169.531218
where:
bonds (distance) C4'-P energy: -37.567
bonds (distance) P-C4' energy: -47.148
flat angles C4'-P-C4' energy: -47.069
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -22.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -973.108654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.108654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.108654 (E_RNA)
where:
Base-Base interactions energy: -666.378
where: short stacking energy: -296.793
Base-Backbone interact. energy: -0.510
local terms energy: -306.220760
where:
bonds (distance) C4'-P energy: -60.331
bonds (distance) P-C4' energy: -49.747
flat angles C4'-P-C4' energy: -64.049
flat angles P-C4'-P energy: -42.575
tors. eta vs tors. theta energy: -89.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -948.558288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.558288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.558288 (E_RNA)
where:
Base-Base interactions energy: -659.173
where: short stacking energy: -270.185
Base-Backbone interact. energy: -1.539
local terms energy: -287.846414
where:
bonds (distance) C4'-P energy: -58.230
bonds (distance) P-C4' energy: -52.636
flat angles C4'-P-C4' energy: -57.411
flat angles P-C4'-P energy: -43.091
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: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -855.987269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.987269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.987269 (E_RNA)
where:
Base-Base interactions energy: -602.526
where: short stacking energy: -250.314
Base-Backbone interact. energy: -1.795
local terms energy: -251.665742
where:
bonds (distance) C4'-P energy: -43.418
bonds (distance) P-C4' energy: -53.233
flat angles C4'-P-C4' energy: -53.982
flat angles P-C4'-P energy: -35.650
tors. eta vs tors. theta energy: -65.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -854.872623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.872623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.872623 (E_RNA)
where:
Base-Base interactions energy: -592.079
where: short stacking energy: -269.288
Base-Backbone interact. energy: -1.075
local terms energy: -261.718523
where:
bonds (distance) C4'-P energy: -52.384
bonds (distance) P-C4' energy: -40.957
flat angles C4'-P-C4' energy: -51.415
flat angles P-C4'-P energy: -42.258
tors. eta vs tors. theta energy: -74.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -829.158820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.158820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.158820 (E_RNA)
where:
Base-Base interactions energy: -565.401
where: short stacking energy: -246.369
Base-Backbone interact. energy: 0.936
local terms energy: -264.694334
where:
bonds (distance) C4'-P energy: -55.244
bonds (distance) P-C4' energy: -39.138
flat angles C4'-P-C4' energy: -53.486
flat angles P-C4'-P energy: -42.977
tors. eta vs tors. theta energy: -73.849
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: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -788.145347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.145347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.145347 (E_RNA)
where:
Base-Base interactions energy: -532.967
where: short stacking energy: -224.898
Base-Backbone interact. energy: -0.483
local terms energy: -254.696288
where:
bonds (distance) C4'-P energy: -52.176
bonds (distance) P-C4' energy: -38.801
flat angles C4'-P-C4' energy: -53.428
flat angles P-C4'-P energy: -45.324
tors. eta vs tors. theta energy: -64.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -748.244116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.244116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.244116 (E_RNA)
where:
Base-Base interactions energy: -525.842
where: short stacking energy: -211.569
Base-Backbone interact. energy: -1.323
local terms energy: -221.079445
where:
bonds (distance) C4'-P energy: -43.827
bonds (distance) P-C4' energy: -39.246
flat angles C4'-P-C4' energy: -51.934
flat angles P-C4'-P energy: -34.679
tors. eta vs tors. theta energy: -51.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -634.666431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.666431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.666431 (E_RNA)
where:
Base-Base interactions energy: -447.814
where: short stacking energy: -180.923
Base-Backbone interact. energy: -0.328
local terms energy: -186.524936
where:
bonds (distance) C4'-P energy: -39.632
bonds (distance) P-C4' energy: -46.477
flat angles C4'-P-C4' energy: -31.905
flat angles P-C4'-P energy: -24.569
tors. eta vs tors. theta energy: -43.942
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: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -576.610410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.610410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.610410 (E_RNA)
where:
Base-Base interactions energy: -384.778
where: short stacking energy: -173.603
Base-Backbone interact. energy: -0.490
local terms energy: -191.342726
where:
bonds (distance) C4'-P energy: -40.889
bonds (distance) P-C4' energy: -35.964
flat angles C4'-P-C4' energy: -47.184
flat angles P-C4'-P energy: -30.569
tors. eta vs tors. theta energy: -36.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -396.171646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.171646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.171646 (E_RNA)
where:
Base-Base interactions energy: -230.419
where: short stacking energy: -108.305
Base-Backbone interact. energy: 0.369
local terms energy: -166.121332
where:
bonds (distance) C4'-P energy: -42.613
bonds (distance) P-C4' energy: -40.303
flat angles C4'-P-C4' energy: -45.248
flat angles P-C4'-P energy: -32.511
tors. eta vs tors. theta energy: -5.446
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: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -976.563664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.563664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.563664 (E_RNA)
where:
Base-Base interactions energy: -671.378
where: short stacking energy: -300.119
Base-Backbone interact. energy: -0.322
local terms energy: -304.863549
where:
bonds (distance) C4'-P energy: -57.551
bonds (distance) P-C4' energy: -54.441
flat angles C4'-P-C4' energy: -58.454
flat angles P-C4'-P energy: -41.854
tors. eta vs tors. theta energy: -92.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -927.661361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.661361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.661361 (E_RNA)
where:
Base-Base interactions energy: -648.002
where: short stacking energy: -269.527
Base-Backbone interact. energy: -0.828
local terms energy: -278.831570
where:
bonds (distance) C4'-P energy: -50.736
bonds (distance) P-C4' energy: -51.250
flat angles C4'-P-C4' energy: -59.987
flat angles P-C4'-P energy: -35.198
tors. eta vs tors. theta energy: -81.660
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: 159
Temperature: 1.000000
Total energy: -874.732479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.732479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.732479 (E_RNA)
where:
Base-Base interactions energy: -616.109
where: short stacking energy: -267.867
Base-Backbone interact. energy: -1.475
local terms energy: -257.148707
where:
bonds (distance) C4'-P energy: -44.173
bonds (distance) P-C4' energy: -44.318
flat angles C4'-P-C4' energy: -59.597
flat angles P-C4'-P energy: -38.935
tors. eta vs tors. theta energy: -70.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -857.046395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.046395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.046395 (E_RNA)
where:
Base-Base interactions energy: -589.028
where: short stacking energy: -259.194
Base-Backbone interact. energy: -0.847
local terms energy: -267.171428
where:
bonds (distance) C4'-P energy: -47.078
bonds (distance) P-C4' energy: -52.947
flat angles C4'-P-C4' energy: -51.436
flat angles P-C4'-P energy: -38.408
tors. eta vs tors. theta energy: -77.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -839.110722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.110722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.110722 (E_RNA)
where:
Base-Base interactions energy: -576.240
where: short stacking energy: -251.428
Base-Backbone interact. energy: -0.454
local terms energy: -262.417321
where:
bonds (distance) C4'-P energy: -51.872
bonds (distance) P-C4' energy: -50.852
flat angles C4'-P-C4' energy: -51.110
flat angles P-C4'-P energy: -36.908
tors. eta vs tors. theta energy: -71.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -769.075730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.075730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.075730 (E_RNA)
where:
Base-Base interactions energy: -528.904
where: short stacking energy: -219.741
Base-Backbone interact. energy: -1.574
local terms energy: -238.597980
where:
bonds (distance) C4'-P energy: -46.184
bonds (distance) P-C4' energy: -50.848
flat angles C4'-P-C4' energy: -45.868
flat angles P-C4'-P energy: -38.171
tors. eta vs tors. theta energy: -57.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -774.473226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.473226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.473226 (E_RNA)
where:
Base-Base interactions energy: -522.015
where: short stacking energy: -216.741
Base-Backbone interact. energy: -1.009
local terms energy: -251.449536
where:
bonds (distance) C4'-P energy: -53.536
bonds (distance) P-C4' energy: -54.750
flat angles C4'-P-C4' energy: -47.971
flat angles P-C4'-P energy: -35.910
tors. eta vs tors. theta energy: -59.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -603.463810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.463810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.463810 (E_RNA)
where:
Base-Base interactions energy: -404.692
where: short stacking energy: -193.000
Base-Backbone interact. energy: 0.146
local terms energy: -198.917932
where:
bonds (distance) C4'-P energy: -32.133
bonds (distance) P-C4' energy: -44.547
flat angles C4'-P-C4' energy: -51.501
flat angles P-C4'-P energy: -23.711
tors. eta vs tors. theta energy: -47.027
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: 159
Temperature: 1.300000
Total energy: -614.550197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.550197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.550197 (E_RNA)
where:
Base-Base interactions energy: -415.264
where: short stacking energy: -180.942
Base-Backbone interact. energy: -0.975
local terms energy: -198.311854
where:
bonds (distance) C4'-P energy: -39.624
bonds (distance) P-C4' energy: -53.129
flat angles C4'-P-C4' energy: -39.938
flat angles P-C4'-P energy: -31.375
tors. eta vs tors. theta energy: -34.247
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: 159
Temperature: 1.350000
Total energy: -358.565301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.565301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.565301 (E_RNA)
where:
Base-Base interactions energy: -197.649
where: short stacking energy: -103.968
Base-Backbone interact. energy: -0.837
local terms energy: -160.079247
where:
bonds (distance) C4'-P energy: -39.409
bonds (distance) P-C4' energy: -45.842
flat angles C4'-P-C4' energy: -43.534
flat angles P-C4'-P energy: -23.022
tors. eta vs tors. theta energy: -8.272
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: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -969.675428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.675428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.675428 (E_RNA)
where:
Base-Base interactions energy: -665.816
where: short stacking energy: -280.583
Base-Backbone interact. energy: -1.305
local terms energy: -302.554679
where:
bonds (distance) C4'-P energy: -54.409
bonds (distance) P-C4' energy: -56.545
flat angles C4'-P-C4' energy: -57.876
flat angles P-C4'-P energy: -44.278
tors. eta vs tors. theta energy: -89.445
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: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -944.029692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.029692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.029692 (E_RNA)
where:
Base-Base interactions energy: -658.823
where: short stacking energy: -275.064
Base-Backbone interact. energy: -1.261
local terms energy: -283.945164
where:
bonds (distance) C4'-P energy: -45.990
bonds (distance) P-C4' energy: -48.213
flat angles C4'-P-C4' energy: -63.236
flat angles P-C4'-P energy: -38.200
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: 3, replica: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -887.041383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.041383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.041383 (E_RNA)
where:
Base-Base interactions energy: -611.384
where: short stacking energy: -255.944
Base-Backbone interact. energy: -0.720
local terms energy: -274.936763
where:
bonds (distance) C4'-P energy: -50.460
bonds (distance) P-C4' energy: -48.868
flat angles C4'-P-C4' energy: -62.210
flat angles P-C4'-P energy: -38.084
tors. eta vs tors. theta energy: -75.315
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: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -854.315052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.315052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.315052 (E_RNA)
where:
Base-Base interactions energy: -590.528
where: short stacking energy: -242.127
Base-Backbone interact. energy: 0.588
local terms energy: -264.375280
where:
bonds (distance) C4'-P energy: -51.824
bonds (distance) P-C4' energy: -47.934
flat angles C4'-P-C4' energy: -60.028
flat angles P-C4'-P energy: -36.490
tors. eta vs tors. theta energy: -68.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -818.358561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.358561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.358561 (E_RNA)
where:
Base-Base interactions energy: -553.593
where: short stacking energy: -239.639
Base-Backbone interact. energy: -0.430
local terms energy: -264.335478
where:
bonds (distance) C4'-P energy: -45.356
bonds (distance) P-C4' energy: -46.519
flat angles C4'-P-C4' energy: -58.818
flat angles P-C4'-P energy: -43.115
tors. eta vs tors. theta energy: -70.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -752.307414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.307414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.307414 (E_RNA)
where:
Base-Base interactions energy: -512.737
where: short stacking energy: -217.108
Base-Backbone interact. energy: -0.242
local terms energy: -239.328367
where:
bonds (distance) C4'-P energy: -45.346
bonds (distance) P-C4' energy: -47.120
flat angles C4'-P-C4' energy: -51.811
flat angles P-C4'-P energy: -31.209
tors. eta vs tors. theta energy: -63.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -795.148739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.148739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.148739 (E_RNA)
where:
Base-Base interactions energy: -560.637
where: short stacking energy: -232.676
Base-Backbone interact. energy: 0.593
local terms energy: -235.105254
where:
bonds (distance) C4'-P energy: -42.118
bonds (distance) P-C4' energy: -46.200
flat angles C4'-P-C4' energy: -47.981
flat angles P-C4'-P energy: -33.692
tors. eta vs tors. theta energy: -65.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -612.399023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.399023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.399023 (E_RNA)
where:
Base-Base interactions energy: -389.409
where: short stacking energy: -179.816
Base-Backbone interact. energy: 1.944
local terms energy: -224.934313
where:
bonds (distance) C4'-P energy: -47.011
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -47.563
flat angles P-C4'-P energy: -34.775
tors. eta vs tors. theta energy: -45.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -627.191635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.191635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.191635 (E_RNA)
where:
Base-Base interactions energy: -414.364
where: short stacking energy: -165.617
Base-Backbone interact. energy: -0.358
local terms energy: -212.469521
where:
bonds (distance) C4'-P energy: -40.912
bonds (distance) P-C4' energy: -47.020
flat angles C4'-P-C4' energy: -58.515
flat angles P-C4'-P energy: -32.069
tors. eta vs tors. theta energy: -33.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -335.213526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.213526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.213526 (E_RNA)
where:
Base-Base interactions energy: -184.967
where: short stacking energy: -104.606
Base-Backbone interact. energy: 0.096
local terms energy: -150.342577
where:
bonds (distance) C4'-P energy: -38.942
bonds (distance) P-C4' energy: -40.765
flat angles C4'-P-C4' energy: -40.221
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -10.976
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: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -972.816090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.816090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.816090 (E_RNA)
where:
Base-Base interactions energy: -673.261
where: short stacking energy: -297.080
Base-Backbone interact. energy: -0.900
local terms energy: -298.655060
where:
bonds (distance) C4'-P energy: -51.859
bonds (distance) P-C4' energy: -53.906
flat angles C4'-P-C4' energy: -58.060
flat angles P-C4'-P energy: -41.540
tors. eta vs tors. theta energy: -93.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -944.420975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.420975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.420975 (E_RNA)
where:
Base-Base interactions energy: -658.473
where: short stacking energy: -272.140
Base-Backbone interact. energy: 1.671
local terms energy: -287.619454
where:
bonds (distance) C4'-P energy: -53.313
bonds (distance) P-C4' energy: -51.202
flat angles C4'-P-C4' energy: -62.080
flat angles P-C4'-P energy: -38.337
tors. eta vs tors. theta energy: -82.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -869.489407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.489407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.489407 (E_RNA)
where:
Base-Base interactions energy: -596.473
where: short stacking energy: -254.946
Base-Backbone interact. energy: -0.106
local terms energy: -272.909877
where:
bonds (distance) C4'-P energy: -51.392
bonds (distance) P-C4' energy: -53.469
flat angles C4'-P-C4' energy: -54.134
flat angles P-C4'-P energy: -37.535
tors. eta vs tors. theta energy: -76.380
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: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -847.001328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.001328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.001328 (E_RNA)
where:
Base-Base interactions energy: -589.463
where: short stacking energy: -247.559
Base-Backbone interact. energy: 0.622
local terms energy: -258.160565
where:
bonds (distance) C4'-P energy: -36.565
bonds (distance) P-C4' energy: -53.620
flat angles C4'-P-C4' energy: -51.631
flat angles P-C4'-P energy: -44.748
tors. eta vs tors. theta energy: -71.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -846.171891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.171891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.171891 (E_RNA)
where:
Base-Base interactions energy: -586.222
where: short stacking energy: -242.297
Base-Backbone interact. energy: 0.400
local terms energy: -260.349282
where:
bonds (distance) C4'-P energy: -44.907
bonds (distance) P-C4' energy: -54.760
flat angles C4'-P-C4' energy: -60.012
flat angles P-C4'-P energy: -30.758
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: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -795.525177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.525177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.525177 (E_RNA)
where:
Base-Base interactions energy: -552.923
where: short stacking energy: -236.320
Base-Backbone interact. energy: -0.723
local terms energy: -241.878599
where:
bonds (distance) C4'-P energy: -41.750
bonds (distance) P-C4' energy: -42.270
flat angles C4'-P-C4' energy: -48.313
flat angles P-C4'-P energy: -36.032
tors. eta vs tors. theta energy: -73.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -739.465236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.465236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.465236 (E_RNA)
where:
Base-Base interactions energy: -483.357
where: short stacking energy: -204.919
Base-Backbone interact. energy: -0.478
local terms energy: -255.630791
where:
bonds (distance) C4'-P energy: -60.145
bonds (distance) P-C4' energy: -47.723
flat angles C4'-P-C4' energy: -53.848
flat angles P-C4'-P energy: -31.865
tors. eta vs tors. theta energy: -62.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -641.514386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.514386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.514386 (E_RNA)
where:
Base-Base interactions energy: -433.516
where: short stacking energy: -183.245
Base-Backbone interact. energy: -1.276
local terms energy: -206.722487
where:
bonds (distance) C4'-P energy: -48.167
bonds (distance) P-C4' energy: -36.372
flat angles C4'-P-C4' energy: -47.342
flat angles P-C4'-P energy: -33.924
tors. eta vs tors. theta energy: -40.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -574.921938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.921938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.921938 (E_RNA)
where:
Base-Base interactions energy: -371.031
where: short stacking energy: -158.385
Base-Backbone interact. energy: 0.743
local terms energy: -204.634003
where:
bonds (distance) C4'-P energy: -50.995
bonds (distance) P-C4' energy: -47.610
flat angles C4'-P-C4' energy: -50.926
flat angles P-C4'-P energy: -29.152
tors. eta vs tors. theta energy: -25.950
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: 161
Temperature: 1.350000
Total energy: -332.949933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.949933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.949933 (E_RNA)
where:
Base-Base interactions energy: -167.145
where: short stacking energy: -72.021
Base-Backbone interact. energy: 5.299
local terms energy: -171.103911
where:
bonds (distance) C4'-P energy: -47.007
bonds (distance) P-C4' energy: -53.485
flat angles C4'-P-C4' energy: -40.009
flat angles P-C4'-P energy: -27.242
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -977.654803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.654803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.654803 (E_RNA)
where:
Base-Base interactions energy: -682.579
where: short stacking energy: -301.993
Base-Backbone interact. energy: -0.717
local terms energy: -294.358725
where:
bonds (distance) C4'-P energy: -49.268
bonds (distance) P-C4' energy: -64.715
flat angles C4'-P-C4' energy: -54.439
flat angles P-C4'-P energy: -35.445
tors. eta vs tors. theta energy: -90.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -938.660082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.660082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.660082 (E_RNA)
where:
Base-Base interactions energy: -649.098
where: short stacking energy: -275.538
Base-Backbone interact. energy: -1.732
local terms energy: -287.829790
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -44.530
flat angles C4'-P-C4' energy: -61.455
flat angles P-C4'-P energy: -46.656
tors. eta vs tors. theta energy: -84.689
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: 3, replica: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -891.218968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.218968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.218968 (E_RNA)
where:
Base-Base interactions energy: -615.079
where: short stacking energy: -278.841
Base-Backbone interact. energy: -1.077
local terms energy: -275.062801
where:
bonds (distance) C4'-P energy: -50.949
bonds (distance) P-C4' energy: -48.640
flat angles C4'-P-C4' energy: -54.998
flat angles P-C4'-P energy: -39.981
tors. eta vs tors. theta energy: -80.494
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: 162
Temperature: 1.050000
Total energy: -858.793610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.793610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.793610 (E_RNA)
where:
Base-Base interactions energy: -589.643
where: short stacking energy: -246.000
Base-Backbone interact. energy: -1.276
local terms energy: -267.874762
where:
bonds (distance) C4'-P energy: -58.630
bonds (distance) P-C4' energy: -53.425
flat angles C4'-P-C4' energy: -55.383
flat angles P-C4'-P energy: -32.191
tors. eta vs tors. theta energy: -68.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -816.038447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.038447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.038447 (E_RNA)
where:
Base-Base interactions energy: -576.982
where: short stacking energy: -252.226
Base-Backbone interact. energy: -0.938
local terms energy: -238.118930
where:
bonds (distance) C4'-P energy: -31.927
bonds (distance) P-C4' energy: -40.850
flat angles C4'-P-C4' energy: -53.515
flat angles P-C4'-P energy: -44.073
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: 6, replica: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -814.985064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.985064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.985064 (E_RNA)
where:
Base-Base interactions energy: -567.313
where: short stacking energy: -248.460
Base-Backbone interact. energy: -0.277
local terms energy: -247.394977
where:
bonds (distance) C4'-P energy: -41.622
bonds (distance) P-C4' energy: -49.758
flat angles C4'-P-C4' energy: -52.150
flat angles P-C4'-P energy: -31.907
tors. eta vs tors. theta energy: -71.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -761.645109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.645109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.645109 (E_RNA)
where:
Base-Base interactions energy: -519.225
where: short stacking energy: -230.798
Base-Backbone interact. energy: 1.240
local terms energy: -243.660321
where:
bonds (distance) C4'-P energy: -46.550
bonds (distance) P-C4' energy: -39.113
flat angles C4'-P-C4' energy: -59.306
flat angles P-C4'-P energy: -39.093
tors. eta vs tors. theta energy: -59.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -624.416207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.416207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.416207 (E_RNA)
where:
Base-Base interactions energy: -408.181
where: short stacking energy: -180.586
Base-Backbone interact. energy: -0.458
local terms energy: -215.777120
where:
bonds (distance) C4'-P energy: -38.345
bonds (distance) P-C4' energy: -43.652
flat angles C4'-P-C4' energy: -57.420
flat angles P-C4'-P energy: -32.097
tors. eta vs tors. theta energy: -44.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -589.104450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.104450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.104450 (E_RNA)
where:
Base-Base interactions energy: -390.788
where: short stacking energy: -178.037
Base-Backbone interact. energy: -0.694
local terms energy: -197.622272
where:
bonds (distance) C4'-P energy: -43.878
bonds (distance) P-C4' energy: -41.394
flat angles C4'-P-C4' energy: -42.300
flat angles P-C4'-P energy: -32.809
tors. eta vs tors. theta energy: -37.242
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: 162
Temperature: 1.350000
Total energy: -354.131396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.131396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.131396 (E_RNA)
where:
Base-Base interactions energy: -182.835
where: short stacking energy: -95.214
Base-Backbone interact. energy: -1.372
local terms energy: -169.924497
where:
bonds (distance) C4'-P energy: -39.285
bonds (distance) P-C4' energy: -50.885
flat angles C4'-P-C4' energy: -31.858
flat angles P-C4'-P energy: -30.894
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -963.792000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.792000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.792000 (E_RNA)
where:
Base-Base interactions energy: -675.065
where: short stacking energy: -289.858
Base-Backbone interact. energy: -1.148
local terms energy: -287.578400
where:
bonds (distance) C4'-P energy: -47.881
bonds (distance) P-C4' energy: -54.044
flat angles C4'-P-C4' energy: -59.436
flat angles P-C4'-P energy: -41.791
tors. eta vs tors. theta energy: -84.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -948.245240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.245240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.245240 (E_RNA)
where:
Base-Base interactions energy: -665.993
where: short stacking energy: -269.314
Base-Backbone interact. energy: -1.499
local terms energy: -280.753577
where:
bonds (distance) C4'-P energy: -47.899
bonds (distance) P-C4' energy: -49.609
flat angles C4'-P-C4' energy: -55.588
flat angles P-C4'-P energy: -45.027
tors. eta vs tors. theta energy: -82.630
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: 163
Temperature: 1.000000
Total energy: -894.437814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.437814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.437814 (E_RNA)
where:
Base-Base interactions energy: -622.150
where: short stacking energy: -282.174
Base-Backbone interact. energy: -0.913
local terms energy: -271.374877
where:
bonds (distance) C4'-P energy: -41.204
bonds (distance) P-C4' energy: -47.657
flat angles C4'-P-C4' energy: -60.778
flat angles P-C4'-P energy: -41.466
tors. eta vs tors. theta energy: -80.270
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: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -817.968861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.968861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.968861 (E_RNA)
where:
Base-Base interactions energy: -570.619
where: short stacking energy: -238.008
Base-Backbone interact. energy: 0.965
local terms energy: -248.314793
where:
bonds (distance) C4'-P energy: -48.837
bonds (distance) P-C4' energy: -60.411
flat angles C4'-P-C4' energy: -46.915
flat angles P-C4'-P energy: -25.067
tors. eta vs tors. theta energy: -67.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -816.844572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.844572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.844572 (E_RNA)
where:
Base-Base interactions energy: -565.170
where: short stacking energy: -244.963
Base-Backbone interact. energy: -1.903
local terms energy: -249.771729
where:
bonds (distance) C4'-P energy: -45.858
bonds (distance) P-C4' energy: -44.084
flat angles C4'-P-C4' energy: -53.567
flat angles P-C4'-P energy: -38.598
tors. eta vs tors. theta energy: -67.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -788.638113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.638113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.638113 (E_RNA)
where:
Base-Base interactions energy: -543.292
where: short stacking energy: -218.985
Base-Backbone interact. energy: -0.183
local terms energy: -245.162205
where:
bonds (distance) C4'-P energy: -51.946
bonds (distance) P-C4' energy: -39.933
flat angles C4'-P-C4' energy: -54.416
flat angles P-C4'-P energy: -35.413
tors. eta vs tors. theta energy: -63.454
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: 7, replica: 2
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -760.713018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.713018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.713018 (E_RNA)
where:
Base-Base interactions energy: -511.387
where: short stacking energy: -219.734
Base-Backbone interact. energy: 2.204
local terms energy: -251.529554
where:
bonds (distance) C4'-P energy: -42.657
bonds (distance) P-C4' energy: -47.431
flat angles C4'-P-C4' energy: -58.907
flat angles P-C4'-P energy: -43.662
tors. eta vs tors. theta energy: -58.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -586.833860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.833860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.833860 (E_RNA)
where:
Base-Base interactions energy: -373.739
where: short stacking energy: -163.381
Base-Backbone interact. energy: -2.067
local terms energy: -211.027851
where:
bonds (distance) C4'-P energy: -45.081
bonds (distance) P-C4' energy: -46.620
flat angles C4'-P-C4' energy: -39.934
flat angles P-C4'-P energy: -36.076
tors. eta vs tors. theta energy: -43.317
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: 163
Temperature: 1.300000
Total energy: -609.652532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.652532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.652532 (E_RNA)
where:
Base-Base interactions energy: -417.473
where: short stacking energy: -182.273
Base-Backbone interact. energy: -0.697
local terms energy: -191.482215
where:
bonds (distance) C4'-P energy: -35.669
bonds (distance) P-C4' energy: -37.039
flat angles C4'-P-C4' energy: -52.142
flat angles P-C4'-P energy: -41.180
tors. eta vs tors. theta energy: -25.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -339.034234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.034234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.034234 (E_RNA)
where:
Base-Base interactions energy: -179.639
where: short stacking energy: -89.969
Base-Backbone interact. energy: -1.512
local terms energy: -157.883527
where:
bonds (distance) C4'-P energy: -46.999
bonds (distance) P-C4' energy: -50.351
flat angles C4'-P-C4' energy: -33.219
flat angles P-C4'-P energy: -24.704
tors. eta vs tors. theta energy: -2.611
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: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -969.096355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.096355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.096355 (E_RNA)
where:
Base-Base interactions energy: -667.733
where: short stacking energy: -293.793
Base-Backbone interact. energy: -0.842
local terms energy: -300.521381
where:
bonds (distance) C4'-P energy: -56.651
bonds (distance) P-C4' energy: -52.346
flat angles C4'-P-C4' energy: -56.765
flat angles P-C4'-P energy: -43.906
tors. eta vs tors. theta energy: -90.854
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: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -915.865518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.865518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.865518 (E_RNA)
where:
Base-Base interactions energy: -629.737
where: short stacking energy: -262.508
Base-Backbone interact. energy: -1.093
local terms energy: -285.036064
where:
bonds (distance) C4'-P energy: -50.578
bonds (distance) P-C4' energy: -59.649
flat angles C4'-P-C4' energy: -52.201
flat angles P-C4'-P energy: -42.355
tors. eta vs tors. theta energy: -80.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -881.699108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.699108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.699108 (E_RNA)
where:
Base-Base interactions energy: -615.406
where: short stacking energy: -247.562
Base-Backbone interact. energy: -0.777
local terms energy: -265.515871
where:
bonds (distance) C4'-P energy: -61.879
bonds (distance) P-C4' energy: -55.950
flat angles C4'-P-C4' energy: -52.940
flat angles P-C4'-P energy: -29.621
tors. eta vs tors. theta energy: -65.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -869.107443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.107443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.107443 (E_RNA)
where:
Base-Base interactions energy: -601.790
where: short stacking energy: -251.432
Base-Backbone interact. energy: -0.664
local terms energy: -266.653257
where:
bonds (distance) C4'-P energy: -42.991
bonds (distance) P-C4' energy: -52.785
flat angles C4'-P-C4' energy: -51.191
flat angles P-C4'-P energy: -43.560
tors. eta vs tors. theta energy: -76.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -817.372069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.372069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.372069 (E_RNA)
where:
Base-Base interactions energy: -568.132
where: short stacking energy: -236.806
Base-Backbone interact. energy: -0.837
local terms energy: -248.403852
where:
bonds (distance) C4'-P energy: -47.485
bonds (distance) P-C4' energy: -44.680
flat angles C4'-P-C4' energy: -54.626
flat angles P-C4'-P energy: -39.709
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: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -817.731081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.731081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.731081 (E_RNA)
where:
Base-Base interactions energy: -560.723
where: short stacking energy: -238.367
Base-Backbone interact. energy: 0.369
local terms energy: -257.377804
where:
bonds (distance) C4'-P energy: -48.833
bonds (distance) P-C4' energy: -56.103
flat angles C4'-P-C4' energy: -51.665
flat angles P-C4'-P energy: -32.314
tors. eta vs tors. theta energy: -68.462
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: 7, replica: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -733.592861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.592861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.592861 (E_RNA)
where:
Base-Base interactions energy: -515.257
where: short stacking energy: -212.859
Base-Backbone interact. energy: 0.689
local terms energy: -219.025095
where:
bonds (distance) C4'-P energy: -34.720
bonds (distance) P-C4' energy: -51.195
flat angles C4'-P-C4' energy: -55.053
flat angles P-C4'-P energy: -25.263
tors. eta vs tors. theta energy: -52.793
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: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -594.487919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.487919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.487919 (E_RNA)
where:
Base-Base interactions energy: -377.612
where: short stacking energy: -182.138
Base-Backbone interact. energy: -1.384
local terms energy: -215.492075
where:
bonds (distance) C4'-P energy: -57.926
bonds (distance) P-C4' energy: -42.836
flat angles C4'-P-C4' energy: -50.221
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -42.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -661.999405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.999405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.999405 (E_RNA)
where:
Base-Base interactions energy: -448.848
where: short stacking energy: -184.736
Base-Backbone interact. energy: -0.232
local terms energy: -212.919966
where:
bonds (distance) C4'-P energy: -36.873
bonds (distance) P-C4' energy: -49.127
flat angles C4'-P-C4' energy: -51.722
flat angles P-C4'-P energy: -36.855
tors. eta vs tors. theta energy: -38.342
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: 164
Temperature: 1.350000
Total energy: -361.500337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.500337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.500337 (E_RNA)
where:
Base-Base interactions energy: -215.020
where: short stacking energy: -99.365
Base-Backbone interact. energy: 2.004
local terms energy: -148.483640
where:
bonds (distance) C4'-P energy: -39.245
bonds (distance) P-C4' energy: -46.778
flat angles C4'-P-C4' energy: -36.525
flat angles P-C4'-P energy: -20.362
tors. eta vs tors. theta energy: -5.574
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: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -974.707809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.707809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.707809 (E_RNA)
where:
Base-Base interactions energy: -666.794
where: short stacking energy: -288.964
Base-Backbone interact. energy: -2.625
local terms energy: -305.288368
where:
bonds (distance) C4'-P energy: -54.202
bonds (distance) P-C4' energy: -56.560
flat angles C4'-P-C4' energy: -61.888
flat angles P-C4'-P energy: -42.570
tors. eta vs tors. theta energy: -90.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -901.097370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.097370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.097370 (E_RNA)
where:
Base-Base interactions energy: -615.730
where: short stacking energy: -263.443
Base-Backbone interact. energy: -0.915
local terms energy: -284.452771
where:
bonds (distance) C4'-P energy: -56.423
bonds (distance) P-C4' energy: -47.695
flat angles C4'-P-C4' energy: -59.115
flat angles P-C4'-P energy: -42.732
tors. eta vs tors. theta energy: -78.487
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: 3, replica: 4
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -920.243983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.243983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.243983 (E_RNA)
where:
Base-Base interactions energy: -638.307
where: short stacking energy: -255.760
Base-Backbone interact. energy: -1.256
local terms energy: -280.680445
where:
bonds (distance) C4'-P energy: -48.275
bonds (distance) P-C4' energy: -52.614
flat angles C4'-P-C4' energy: -59.492
flat angles P-C4'-P energy: -38.053
tors. eta vs tors. theta energy: -82.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -858.706272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.706272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.706272 (E_RNA)
where:
Base-Base interactions energy: -583.193
where: short stacking energy: -244.190
Base-Backbone interact. energy: 1.259
local terms energy: -276.772425
where:
bonds (distance) C4'-P energy: -57.724
bonds (distance) P-C4' energy: -54.759
flat angles C4'-P-C4' energy: -55.113
flat angles P-C4'-P energy: -38.303
tors. eta vs tors. theta energy: -70.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -838.454773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.454773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.454773 (E_RNA)
where:
Base-Base interactions energy: -582.208
where: short stacking energy: -253.841
Base-Backbone interact. energy: -1.295
local terms energy: -254.951740
where:
bonds (distance) C4'-P energy: -45.140
bonds (distance) P-C4' energy: -47.501
flat angles C4'-P-C4' energy: -56.274
flat angles P-C4'-P energy: -34.747
tors. eta vs tors. theta energy: -71.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -806.088696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.088696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.088696 (E_RNA)
where:
Base-Base interactions energy: -562.301
where: short stacking energy: -242.313
Base-Backbone interact. energy: -0.377
local terms energy: -243.410746
where:
bonds (distance) C4'-P energy: -47.711
bonds (distance) P-C4' energy: -42.369
flat angles C4'-P-C4' energy: -45.764
flat angles P-C4'-P energy: -39.454
tors. eta vs tors. theta energy: -68.113
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: 7, replica: 2
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -771.374801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.374801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.374801 (E_RNA)
where:
Base-Base interactions energy: -526.848
where: short stacking energy: -220.353
Base-Backbone interact. energy: -0.127
local terms energy: -244.399932
where:
bonds (distance) C4'-P energy: -50.016
bonds (distance) P-C4' energy: -35.707
flat angles C4'-P-C4' energy: -56.797
flat angles P-C4'-P energy: -37.957
tors. eta vs tors. theta energy: -63.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -689.556687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.556687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.556687 (E_RNA)
where:
Base-Base interactions energy: -456.595
where: short stacking energy: -179.011
Base-Backbone interact. energy: -2.429
local terms energy: -230.532901
where:
bonds (distance) C4'-P energy: -46.117
bonds (distance) P-C4' energy: -51.030
flat angles C4'-P-C4' energy: -52.549
flat angles P-C4'-P energy: -36.008
tors. eta vs tors. theta energy: -44.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -583.741085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.741085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.741085 (E_RNA)
where:
Base-Base interactions energy: -382.516
where: short stacking energy: -165.536
Base-Backbone interact. energy: -1.488
local terms energy: -199.737691
where:
bonds (distance) C4'-P energy: -31.831
bonds (distance) P-C4' energy: -50.602
flat angles C4'-P-C4' energy: -48.959
flat angles P-C4'-P energy: -29.035
tors. eta vs tors. theta energy: -39.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -336.392987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.392987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.392987 (E_RNA)
where:
Base-Base interactions energy: -183.514
where: short stacking energy: -97.187
Base-Backbone interact. energy: 1.610
local terms energy: -154.488910
where:
bonds (distance) C4'-P energy: -37.697
bonds (distance) P-C4' energy: -40.492
flat angles C4'-P-C4' energy: -37.354
flat angles P-C4'-P energy: -28.003
tors. eta vs tors. theta energy: -10.944
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: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -967.959170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.959170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.959170 (E_RNA)
where:
Base-Base interactions energy: -679.206
where: short stacking energy: -287.711
Base-Backbone interact. energy: -0.586
local terms energy: -288.166442
where:
bonds (distance) C4'-P energy: -51.296
bonds (distance) P-C4' energy: -48.745
flat angles C4'-P-C4' energy: -65.215
flat angles P-C4'-P energy: -41.554
tors. eta vs tors. theta energy: -81.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -913.082140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.082140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.082140 (E_RNA)
where:
Base-Base interactions energy: -636.336
where: short stacking energy: -271.400
Base-Backbone interact. energy: -0.199
local terms energy: -276.546786
where:
bonds (distance) C4'-P energy: -49.635
bonds (distance) P-C4' energy: -49.607
flat angles C4'-P-C4' energy: -58.266
flat angles P-C4'-P energy: -36.786
tors. eta vs tors. theta energy: -82.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -918.973432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.973432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.973432 (E_RNA)
where:
Base-Base interactions energy: -639.000
where: short stacking energy: -259.518
Base-Backbone interact. energy: -0.947
local terms energy: -279.026185
where:
bonds (distance) C4'-P energy: -47.096
bonds (distance) P-C4' energy: -50.262
flat angles C4'-P-C4' energy: -58.724
flat angles P-C4'-P energy: -41.640
tors. eta vs tors. theta energy: -81.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -858.480944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.480944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.480944 (E_RNA)
where:
Base-Base interactions energy: -589.205
where: short stacking energy: -241.776
Base-Backbone interact. energy: -1.638
local terms energy: -267.638044
where:
bonds (distance) C4'-P energy: -54.108
bonds (distance) P-C4' energy: -61.242
flat angles C4'-P-C4' energy: -48.936
flat angles P-C4'-P energy: -35.333
tors. eta vs tors. theta energy: -68.019
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: 166
Temperature: 1.100000
Total energy: -822.372441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.372441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.372441 (E_RNA)
where:
Base-Base interactions energy: -581.985
where: short stacking energy: -242.693
Base-Backbone interact. energy: -0.691
local terms energy: -239.696296
where:
bonds (distance) C4'-P energy: -45.342
bonds (distance) P-C4' energy: -35.914
flat angles C4'-P-C4' energy: -55.581
flat angles P-C4'-P energy: -36.116
tors. eta vs tors. theta energy: -66.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -817.203248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.203248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.203248 (E_RNA)
where:
Base-Base interactions energy: -570.333
where: short stacking energy: -252.921
Base-Backbone interact. energy: -1.350
local terms energy: -245.520603
where:
bonds (distance) C4'-P energy: -31.465
bonds (distance) P-C4' energy: -53.204
flat angles C4'-P-C4' energy: -51.094
flat angles P-C4'-P energy: -36.842
tors. eta vs tors. theta energy: -72.916
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: 2
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -736.959808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.959808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.959808 (E_RNA)
where:
Base-Base interactions energy: -505.510
where: short stacking energy: -195.274
Base-Backbone interact. energy: 0.556
local terms energy: -232.005554
where:
bonds (distance) C4'-P energy: -43.261
bonds (distance) P-C4' energy: -51.954
flat angles C4'-P-C4' energy: -51.550
flat angles P-C4'-P energy: -36.453
tors. eta vs tors. theta energy: -48.788
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: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -706.884341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.884341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.884341 (E_RNA)
where:
Base-Base interactions energy: -473.928
where: short stacking energy: -189.749
Base-Backbone interact. energy: -0.607
local terms energy: -232.348926
where:
bonds (distance) C4'-P energy: -39.007
bonds (distance) P-C4' energy: -40.992
flat angles C4'-P-C4' energy: -58.561
flat angles P-C4'-P energy: -36.835
tors. eta vs tors. theta energy: -56.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -599.509393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.509393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.509393 (E_RNA)
where:
Base-Base interactions energy: -397.517
where: short stacking energy: -177.763
Base-Backbone interact. energy: -0.410
local terms energy: -201.581839
where:
bonds (distance) C4'-P energy: -39.449
bonds (distance) P-C4' energy: -43.868
flat angles C4'-P-C4' energy: -46.729
flat angles P-C4'-P energy: -28.354
tors. eta vs tors. theta energy: -43.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -350.615999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.615999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.615999 (E_RNA)
where:
Base-Base interactions energy: -168.018
where: short stacking energy: -82.637
Base-Backbone interact. energy: -1.760
local terms energy: -180.837860
where:
bonds (distance) C4'-P energy: -48.489
bonds (distance) P-C4' energy: -58.476
flat angles C4'-P-C4' energy: -34.005
flat angles P-C4'-P energy: -37.198
tors. eta vs tors. theta energy: -2.670
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: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -952.915648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.915648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.915648 (E_RNA)
where:
Base-Base interactions energy: -673.614
where: short stacking energy: -264.733
Base-Backbone interact. energy: -1.723
local terms energy: -277.578688
where:
bonds (distance) C4'-P energy: -50.297
bonds (distance) P-C4' energy: -51.004
flat angles C4'-P-C4' energy: -55.572
flat angles P-C4'-P energy: -46.034
tors. eta vs tors. theta energy: -74.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -943.456539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.456539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.456539 (E_RNA)
where:
Base-Base interactions energy: -661.789
where: short stacking energy: -274.801
Base-Backbone interact. energy: 2.035
local terms energy: -283.702601
where:
bonds (distance) C4'-P energy: -47.519
bonds (distance) P-C4' energy: -57.021
flat angles C4'-P-C4' energy: -61.753
flat angles P-C4'-P energy: -38.520
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: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -911.900749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.900749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.900749 (E_RNA)
where:
Base-Base interactions energy: -621.254
where: short stacking energy: -261.553
Base-Backbone interact. energy: 0.326
local terms energy: -290.972542
where:
bonds (distance) C4'-P energy: -56.700
bonds (distance) P-C4' energy: -51.866
flat angles C4'-P-C4' energy: -56.585
flat angles P-C4'-P energy: -47.341
tors. eta vs tors. theta energy: -78.480
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: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -874.031620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.031620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.031620 (E_RNA)
where:
Base-Base interactions energy: -607.843
where: short stacking energy: -255.115
Base-Backbone interact. energy: -0.468
local terms energy: -265.720311
where:
bonds (distance) C4'-P energy: -50.691
bonds (distance) P-C4' energy: -48.278
flat angles C4'-P-C4' energy: -53.287
flat angles P-C4'-P energy: -41.587
tors. eta vs tors. theta energy: -71.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -828.643235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.643235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.643235 (E_RNA)
where:
Base-Base interactions energy: -560.284
where: short stacking energy: -250.624
Base-Backbone interact. energy: -0.715
local terms energy: -267.643517
where:
bonds (distance) C4'-P energy: -53.001
bonds (distance) P-C4' energy: -48.892
flat angles C4'-P-C4' energy: -52.480
flat angles P-C4'-P energy: -40.611
tors. eta vs tors. theta energy: -72.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -803.371764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.371764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.371764 (E_RNA)
where:
Base-Base interactions energy: -546.606
where: short stacking energy: -232.107
Base-Backbone interact. energy: -1.182
local terms energy: -255.583584
where:
bonds (distance) C4'-P energy: -46.352
bonds (distance) P-C4' energy: -54.584
flat angles C4'-P-C4' energy: -57.216
flat angles P-C4'-P energy: -28.107
tors. eta vs tors. theta energy: -69.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -739.631235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.631235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.631235 (E_RNA)
where:
Base-Base interactions energy: -517.676
where: short stacking energy: -216.894
Base-Backbone interact. energy: -0.070
local terms energy: -221.885475
where:
bonds (distance) C4'-P energy: -43.697
bonds (distance) P-C4' energy: -43.350
flat angles C4'-P-C4' energy: -48.988
flat angles P-C4'-P energy: -25.699
tors. eta vs tors. theta energy: -60.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -712.953177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.953177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.953177 (E_RNA)
where:
Base-Base interactions energy: -503.148
where: short stacking energy: -191.698
Base-Backbone interact. energy: -0.504
local terms energy: -209.301074
where:
bonds (distance) C4'-P energy: -48.653
bonds (distance) P-C4' energy: -30.945
flat angles C4'-P-C4' energy: -53.901
flat angles P-C4'-P energy: -28.559
tors. eta vs tors. theta energy: -47.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -640.717737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.717737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.717737 (E_RNA)
where:
Base-Base interactions energy: -427.003
where: short stacking energy: -182.335
Base-Backbone interact. energy: -0.802
local terms energy: -212.913117
where:
bonds (distance) C4'-P energy: -42.148
bonds (distance) P-C4' energy: -50.924
flat angles C4'-P-C4' energy: -46.728
flat angles P-C4'-P energy: -25.077
tors. eta vs tors. theta energy: -48.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -350.805349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.805349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.805349 (E_RNA)
where:
Base-Base interactions energy: -195.280
where: short stacking energy: -103.891
Base-Backbone interact. energy: -1.157
local terms energy: -154.368645
where:
bonds (distance) C4'-P energy: -36.082
bonds (distance) P-C4' energy: -50.475
flat angles C4'-P-C4' energy: -33.799
flat angles P-C4'-P energy: -20.736
tors. eta vs tors. theta energy: -13.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -933.700447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.700447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.700447 (E_RNA)
where:
Base-Base interactions energy: -651.204
where: short stacking energy: -283.326
Base-Backbone interact. energy: 0.230
local terms energy: -282.726279
where:
bonds (distance) C4'-P energy: -49.320
bonds (distance) P-C4' energy: -50.489
flat angles C4'-P-C4' energy: -56.899
flat angles P-C4'-P energy: -46.670
tors. eta vs tors. theta energy: -79.348
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: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -950.697999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.697999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.697999 (E_RNA)
where:
Base-Base interactions energy: -671.725
where: short stacking energy: -277.991
Base-Backbone interact. energy: -0.409
local terms energy: -278.564537
where:
bonds (distance) C4'-P energy: -42.253
bonds (distance) P-C4' energy: -53.066
flat angles C4'-P-C4' energy: -57.215
flat angles P-C4'-P energy: -41.893
tors. eta vs tors. theta energy: -84.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -894.387732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.387732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.387732 (E_RNA)
where:
Base-Base interactions energy: -623.051
where: short stacking energy: -271.189
Base-Backbone interact. energy: -0.313
local terms energy: -271.024063
where:
bonds (distance) C4'-P energy: -42.225
bonds (distance) P-C4' energy: -46.371
flat angles C4'-P-C4' energy: -60.401
flat angles P-C4'-P energy: -40.587
tors. eta vs tors. theta energy: -81.439
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: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -878.903635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.903635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.903635 (E_RNA)
where:
Base-Base interactions energy: -612.547
where: short stacking energy: -262.781
Base-Backbone interact. energy: 2.718
local terms energy: -269.074338
where:
bonds (distance) C4'-P energy: -57.190
bonds (distance) P-C4' energy: -56.038
flat angles C4'-P-C4' energy: -49.275
flat angles P-C4'-P energy: -34.508
tors. eta vs tors. theta energy: -72.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -835.445037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.445037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.445037 (E_RNA)
where:
Base-Base interactions energy: -577.553
where: short stacking energy: -241.531
Base-Backbone interact. energy: -0.595
local terms energy: -257.296895
where:
bonds (distance) C4'-P energy: -53.171
bonds (distance) P-C4' energy: -43.784
flat angles C4'-P-C4' energy: -55.986
flat angles P-C4'-P energy: -32.967
tors. eta vs tors. theta energy: -71.390
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: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -821.695193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.695193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.695193 (E_RNA)
where:
Base-Base interactions energy: -564.826
where: short stacking energy: -227.056
Base-Backbone interact. energy: -0.440
local terms energy: -256.429206
where:
bonds (distance) C4'-P energy: -50.922
bonds (distance) P-C4' energy: -51.818
flat angles C4'-P-C4' energy: -53.413
flat angles P-C4'-P energy: -33.932
tors. eta vs tors. theta energy: -66.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -738.673815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.673815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.673815 (E_RNA)
where:
Base-Base interactions energy: -516.297
where: short stacking energy: -200.578
Base-Backbone interact. energy: -0.968
local terms energy: -221.408865
where:
bonds (distance) C4'-P energy: -31.782
bonds (distance) P-C4' energy: -47.977
flat angles C4'-P-C4' energy: -44.362
flat angles P-C4'-P energy: -40.679
tors. eta vs tors. theta energy: -56.608
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: 8, replica: 2
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -736.204462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.204462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.204462 (E_RNA)
where:
Base-Base interactions energy: -491.970
where: short stacking energy: -209.299
Base-Backbone interact. energy: -0.161
local terms energy: -244.073782
where:
bonds (distance) C4'-P energy: -45.128
bonds (distance) P-C4' energy: -51.657
flat angles C4'-P-C4' energy: -51.983
flat angles P-C4'-P energy: -32.073
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: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -646.988566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.988566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.988566 (E_RNA)
where:
Base-Base interactions energy: -430.951
where: short stacking energy: -198.904
Base-Backbone interact. energy: 1.218
local terms energy: -217.255737
where:
bonds (distance) C4'-P energy: -45.572
bonds (distance) P-C4' energy: -50.709
flat angles C4'-P-C4' energy: -48.563
flat angles P-C4'-P energy: -26.306
tors. eta vs tors. theta energy: -46.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -375.605457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.605457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.605457 (E_RNA)
where:
Base-Base interactions energy: -209.407
where: short stacking energy: -105.846
Base-Backbone interact. energy: -1.283
local terms energy: -164.915609
where:
bonds (distance) C4'-P energy: -33.449
bonds (distance) P-C4' energy: -49.912
flat angles C4'-P-C4' energy: -41.065
flat angles P-C4'-P energy: -28.459
tors. eta vs tors. theta energy: -12.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -940.725226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.725226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.725226 (E_RNA)
where:
Base-Base interactions energy: -648.375
where: short stacking energy: -290.327
Base-Backbone interact. energy: 0.506
local terms energy: -292.855871
where:
bonds (distance) C4'-P energy: -57.556
bonds (distance) P-C4' energy: -49.849
flat angles C4'-P-C4' energy: -53.718
flat angles P-C4'-P energy: -46.594
tors. eta vs tors. theta energy: -85.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -917.045494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.045494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.045494 (E_RNA)
where:
Base-Base interactions energy: -634.252
where: short stacking energy: -258.009
Base-Backbone interact. energy: -2.193
local terms energy: -280.600418
where:
bonds (distance) C4'-P energy: -52.824
bonds (distance) P-C4' energy: -50.701
flat angles C4'-P-C4' energy: -55.424
flat angles P-C4'-P energy: -41.763
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: 3, replica: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -900.966805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.966805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.966805 (E_RNA)
where:
Base-Base interactions energy: -626.206
where: short stacking energy: -264.677
Base-Backbone interact. energy: -0.093
local terms energy: -274.667214
where:
bonds (distance) C4'-P energy: -43.936
bonds (distance) P-C4' energy: -61.354
flat angles C4'-P-C4' energy: -40.789
flat angles P-C4'-P energy: -46.757
tors. eta vs tors. theta energy: -81.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -850.418789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.418789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.418789 (E_RNA)
where:
Base-Base interactions energy: -586.446
where: short stacking energy: -240.879
Base-Backbone interact. energy: -0.917
local terms energy: -263.055765
where:
bonds (distance) C4'-P energy: -45.583
bonds (distance) P-C4' energy: -52.294
flat angles C4'-P-C4' energy: -55.993
flat angles P-C4'-P energy: -35.848
tors. eta vs tors. theta energy: -73.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -800.834013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.834013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.834013 (E_RNA)
where:
Base-Base interactions energy: -554.723
where: short stacking energy: -217.700
Base-Backbone interact. energy: -0.231
local terms energy: -245.879688
where:
bonds (distance) C4'-P energy: -45.051
bonds (distance) P-C4' energy: -48.127
flat angles C4'-P-C4' energy: -54.927
flat angles P-C4'-P energy: -38.489
tors. eta vs tors. theta energy: -59.286
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: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -779.020310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.020310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.020310 (E_RNA)
where:
Base-Base interactions energy: -560.061
where: short stacking energy: -218.573
Base-Backbone interact. energy: 0.241
local terms energy: -219.199777
where:
bonds (distance) C4'-P energy: -42.955
bonds (distance) P-C4' energy: -39.570
flat angles C4'-P-C4' energy: -51.292
flat angles P-C4'-P energy: -27.504
tors. eta vs tors. theta energy: -57.879
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: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -717.047592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.047592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.047592 (E_RNA)
where:
Base-Base interactions energy: -493.890
where: short stacking energy: -203.879
Base-Backbone interact. energy: -0.607
local terms energy: -222.551010
where:
bonds (distance) C4'-P energy: -43.097
bonds (distance) P-C4' energy: -39.793
flat angles C4'-P-C4' energy: -54.406
flat angles P-C4'-P energy: -29.562
tors. eta vs tors. theta energy: -55.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -705.808882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.808882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.808882 (E_RNA)
where:
Base-Base interactions energy: -489.632
where: short stacking energy: -189.507
Base-Backbone interact. energy: 5.752
local terms energy: -221.928299
where:
bonds (distance) C4'-P energy: -42.197
bonds (distance) P-C4' energy: -45.837
flat angles C4'-P-C4' energy: -46.505
flat angles P-C4'-P energy: -30.365
tors. eta vs tors. theta energy: -57.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -649.067227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.067227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.067227 (E_RNA)
where:
Base-Base interactions energy: -441.425
where: short stacking energy: -196.541
Base-Backbone interact. energy: -1.734
local terms energy: -205.908375
where:
bonds (distance) C4'-P energy: -37.310
bonds (distance) P-C4' energy: -37.232
flat angles C4'-P-C4' energy: -54.589
flat angles P-C4'-P energy: -32.469
tors. eta vs tors. theta energy: -44.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -426.085643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.085643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.085643 (E_RNA)
where:
Base-Base interactions energy: -249.597
where: short stacking energy: -109.410
Base-Backbone interact. energy: 1.696
local terms energy: -178.185071
where:
bonds (distance) C4'-P energy: -36.683
bonds (distance) P-C4' energy: -54.969
flat angles C4'-P-C4' energy: -49.321
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -19.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -966.362208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.362208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.362208 (E_RNA)
where:
Base-Base interactions energy: -673.478
where: short stacking energy: -291.187
Base-Backbone interact. energy: -1.144
local terms energy: -291.740265
where:
bonds (distance) C4'-P energy: -47.877
bonds (distance) P-C4' energy: -55.137
flat angles C4'-P-C4' energy: -60.605
flat angles P-C4'-P energy: -44.860
tors. eta vs tors. theta energy: -83.261
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: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -921.016643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.016643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.016643 (E_RNA)
where:
Base-Base interactions energy: -653.142
where: short stacking energy: -277.710
Base-Backbone interact. energy: -1.084
local terms energy: -266.790696
where:
bonds (distance) C4'-P energy: -42.243
bonds (distance) P-C4' energy: -45.577
flat angles C4'-P-C4' energy: -61.969
flat angles P-C4'-P energy: -38.658
tors. eta vs tors. theta energy: -78.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -899.058799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.058799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.058799 (E_RNA)
where:
Base-Base interactions energy: -612.248
where: short stacking energy: -274.334
Base-Backbone interact. energy: 0.106
local terms energy: -286.915982
where:
bonds (distance) C4'-P energy: -47.172
bonds (distance) P-C4' energy: -52.314
flat angles C4'-P-C4' energy: -63.934
flat angles P-C4'-P energy: -40.565
tors. eta vs tors. theta energy: -82.931
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: 4, replica: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -872.839449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.839449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.839449 (E_RNA)
where:
Base-Base interactions energy: -602.759
where: short stacking energy: -248.731
Base-Backbone interact. energy: -0.850
local terms energy: -269.230361
where:
bonds (distance) C4'-P energy: -44.427
bonds (distance) P-C4' energy: -43.623
flat angles C4'-P-C4' energy: -60.395
flat angles P-C4'-P energy: -45.895
tors. eta vs tors. theta energy: -74.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -830.148319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.148319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.148319 (E_RNA)
where:
Base-Base interactions energy: -565.201
where: short stacking energy: -246.864
Base-Backbone interact. energy: -1.428
local terms energy: -263.519353
where:
bonds (distance) C4'-P energy: -43.364
bonds (distance) P-C4' energy: -47.733
flat angles C4'-P-C4' energy: -54.004
flat angles P-C4'-P energy: -44.372
tors. eta vs tors. theta energy: -74.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -760.934591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.934591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.934591 (E_RNA)
where:
Base-Base interactions energy: -528.741
where: short stacking energy: -230.300
Base-Backbone interact. energy: -0.115
local terms energy: -232.079114
where:
bonds (distance) C4'-P energy: -32.214
bonds (distance) P-C4' energy: -40.437
flat angles C4'-P-C4' energy: -59.951
flat angles P-C4'-P energy: -37.612
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: 7, replica: 2
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -741.929146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.929146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.929146 (E_RNA)
where:
Base-Base interactions energy: -499.064
where: short stacking energy: -210.817
Base-Backbone interact. energy: -1.127
local terms energy: -241.738203
where:
bonds (distance) C4'-P energy: -53.599
bonds (distance) P-C4' energy: -51.891
flat angles C4'-P-C4' energy: -56.963
flat angles P-C4'-P energy: -26.953
tors. eta vs tors. theta energy: -52.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -669.782333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.782333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.782333 (E_RNA)
where:
Base-Base interactions energy: -456.224
where: short stacking energy: -195.969
Base-Backbone interact. energy: 0.993
local terms energy: -214.551656
where:
bonds (distance) C4'-P energy: -32.103
bonds (distance) P-C4' energy: -46.221
flat angles C4'-P-C4' energy: -51.269
flat angles P-C4'-P energy: -29.515
tors. eta vs tors. theta energy: -55.444
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: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -636.378802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.378802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.378802 (E_RNA)
where:
Base-Base interactions energy: -430.024
where: short stacking energy: -184.672
Base-Backbone interact. energy: -0.266
local terms energy: -206.089467
where:
bonds (distance) C4'-P energy: -37.535
bonds (distance) P-C4' energy: -48.963
flat angles C4'-P-C4' energy: -48.633
flat angles P-C4'-P energy: -23.460
tors. eta vs tors. theta energy: -47.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -377.162631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.162631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.162631 (E_RNA)
where:
Base-Base interactions energy: -229.579
where: short stacking energy: -97.693
Base-Backbone interact. energy: 0.279
local terms energy: -147.862939
where:
bonds (distance) C4'-P energy: -34.004
bonds (distance) P-C4' energy: -47.085
flat angles C4'-P-C4' energy: -41.489
flat angles P-C4'-P energy: -19.852
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -974.782011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.782011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.782011 (E_RNA)
where:
Base-Base interactions energy: -676.117
where: short stacking energy: -286.803
Base-Backbone interact. energy: -1.052
local terms energy: -297.612845
where:
bonds (distance) C4'-P energy: -52.017
bonds (distance) P-C4' energy: -59.849
flat angles C4'-P-C4' energy: -67.431
flat angles P-C4'-P energy: -36.553
tors. eta vs tors. theta energy: -81.764
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: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -923.391555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.391555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.391555 (E_RNA)
where:
Base-Base interactions energy: -632.330
where: short stacking energy: -265.908
Base-Backbone interact. energy: 0.136
local terms energy: -291.197610
where:
bonds (distance) C4'-P energy: -60.279
bonds (distance) P-C4' energy: -50.380
flat angles C4'-P-C4' energy: -61.424
flat angles P-C4'-P energy: -38.697
tors. eta vs tors. theta energy: -80.417
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: 3, replica: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -911.509549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.509549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.509549 (E_RNA)
where:
Base-Base interactions energy: -644.379
where: short stacking energy: -279.871
Base-Backbone interact. energy: 0.210
local terms energy: -267.340084
where:
bonds (distance) C4'-P energy: -51.783
bonds (distance) P-C4' energy: -48.976
flat angles C4'-P-C4' energy: -55.188
flat angles P-C4'-P energy: -36.327
tors. eta vs tors. theta energy: -75.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -854.049756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.049756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.049756 (E_RNA)
where:
Base-Base interactions energy: -592.130
where: short stacking energy: -240.981
Base-Backbone interact. energy: -0.687
local terms energy: -261.232944
where:
bonds (distance) C4'-P energy: -51.533
bonds (distance) P-C4' energy: -51.489
flat angles C4'-P-C4' energy: -53.418
flat angles P-C4'-P energy: -37.202
tors. eta vs tors. theta energy: -67.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -826.364565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.364565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.364565 (E_RNA)
where:
Base-Base interactions energy: -581.920
where: short stacking energy: -243.910
Base-Backbone interact. energy: -0.514
local terms energy: -243.930059
where:
bonds (distance) C4'-P energy: -38.694
bonds (distance) P-C4' energy: -45.435
flat angles C4'-P-C4' energy: -56.586
flat angles P-C4'-P energy: -34.548
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: 6, replica: 2
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -769.818049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.818049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.818049 (E_RNA)
where:
Base-Base interactions energy: -517.731
where: short stacking energy: -218.931
Base-Backbone interact. energy: -0.944
local terms energy: -251.142639
where:
bonds (distance) C4'-P energy: -54.117
bonds (distance) P-C4' energy: -46.128
flat angles C4'-P-C4' energy: -58.314
flat angles P-C4'-P energy: -37.560
tors. eta vs tors. theta energy: -55.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -763.674501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.674501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.674501 (E_RNA)
where:
Base-Base interactions energy: -537.959
where: short stacking energy: -226.832
Base-Backbone interact. energy: -0.168
local terms energy: -225.547661
where:
bonds (distance) C4'-P energy: -28.670
bonds (distance) P-C4' energy: -39.177
flat angles C4'-P-C4' energy: -48.927
flat angles P-C4'-P energy: -40.434
tors. eta vs tors. theta energy: -68.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -687.799297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.799297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.799297 (E_RNA)
where:
Base-Base interactions energy: -463.953
where: short stacking energy: -208.353
Base-Backbone interact. energy: -0.964
local terms energy: -222.881674
where:
bonds (distance) C4'-P energy: -39.295
bonds (distance) P-C4' energy: -46.870
flat angles C4'-P-C4' energy: -44.148
flat angles P-C4'-P energy: -27.697
tors. eta vs tors. theta energy: -64.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -666.705629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.705629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.705629 (E_RNA)
where:
Base-Base interactions energy: -461.151
where: short stacking energy: -200.552
Base-Backbone interact. energy: -1.629
local terms energy: -203.926097
where:
bonds (distance) C4'-P energy: -34.830
bonds (distance) P-C4' energy: -36.803
flat angles C4'-P-C4' energy: -55.107
flat angles P-C4'-P energy: -28.053
tors. eta vs tors. theta energy: -49.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -416.669977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.669977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.669977 (E_RNA)
where:
Base-Base interactions energy: -246.709
where: short stacking energy: -110.948
Base-Backbone interact. energy: -0.686
local terms energy: -169.275503
where:
bonds (distance) C4'-P energy: -45.100
bonds (distance) P-C4' energy: -47.469
flat angles C4'-P-C4' energy: -28.568
flat angles P-C4'-P energy: -34.932
tors. eta vs tors. theta energy: -13.207
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: 1, replica: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -973.677955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.677955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.677955 (E_RNA)
where:
Base-Base interactions energy: -685.989
where: short stacking energy: -290.039
Base-Backbone interact. energy: -0.739
local terms energy: -286.950689
where:
bonds (distance) C4'-P energy: -49.176
bonds (distance) P-C4' energy: -58.281
flat angles C4'-P-C4' energy: -58.474
flat angles P-C4'-P energy: -42.836
tors. eta vs tors. theta energy: -78.184
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: 172
Temperature: 0.950000
Total energy: -948.182447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.182447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.182447 (E_RNA)
where:
Base-Base interactions energy: -655.654
where: short stacking energy: -273.767
Base-Backbone interact. energy: -0.654
local terms energy: -291.873930
where:
bonds (distance) C4'-P energy: -58.445
bonds (distance) P-C4' energy: -52.905
flat angles C4'-P-C4' energy: -63.390
flat angles P-C4'-P energy: -36.556
tors. eta vs tors. theta energy: -80.577
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: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -897.267248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.267248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.267248 (E_RNA)
where:
Base-Base interactions energy: -632.164
where: short stacking energy: -257.791
Base-Backbone interact. energy: -1.593
local terms energy: -263.509737
where:
bonds (distance) C4'-P energy: -51.816
bonds (distance) P-C4' energy: -56.804
flat angles C4'-P-C4' energy: -46.033
flat angles P-C4'-P energy: -34.307
tors. eta vs tors. theta energy: -74.551
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: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -820.896505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.896505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.896505 (E_RNA)
where:
Base-Base interactions energy: -567.720
where: short stacking energy: -242.423
Base-Backbone interact. energy: -1.802
local terms energy: -251.374662
where:
bonds (distance) C4'-P energy: -50.792
bonds (distance) P-C4' energy: -53.007
flat angles C4'-P-C4' energy: -46.018
flat angles P-C4'-P energy: -34.280
tors. eta vs tors. theta energy: -67.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -871.535458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.535458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.535458 (E_RNA)
where:
Base-Base interactions energy: -600.225
where: short stacking energy: -275.357
Base-Backbone interact. energy: -0.469
local terms energy: -270.841178
where:
bonds (distance) C4'-P energy: -46.520
bonds (distance) P-C4' energy: -47.796
flat angles C4'-P-C4' energy: -49.918
flat angles P-C4'-P energy: -43.788
tors. eta vs tors. theta energy: -82.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -763.401207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.401207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.401207 (E_RNA)
where:
Base-Base interactions energy: -519.104
where: short stacking energy: -212.123
Base-Backbone interact. energy: 1.984
local terms energy: -246.280865
where:
bonds (distance) C4'-P energy: -50.297
bonds (distance) P-C4' energy: -49.788
flat angles C4'-P-C4' energy: -56.879
flat angles P-C4'-P energy: -30.386
tors. eta vs tors. theta energy: -58.931
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: 7, replica: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -762.057004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.057004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.057004 (E_RNA)
where:
Base-Base interactions energy: -514.943
where: short stacking energy: -232.402
Base-Backbone interact. energy: -0.490
local terms energy: -246.623316
where:
bonds (distance) C4'-P energy: -44.463
bonds (distance) P-C4' energy: -55.513
flat angles C4'-P-C4' energy: -54.556
flat angles P-C4'-P energy: -28.554
tors. eta vs tors. theta energy: -63.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -684.142868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.142868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.142868 (E_RNA)
where:
Base-Base interactions energy: -481.071
where: short stacking energy: -217.318
Base-Backbone interact. energy: 0.493
local terms energy: -203.565089
where:
bonds (distance) C4'-P energy: -32.177
bonds (distance) P-C4' energy: -48.149
flat angles C4'-P-C4' energy: -50.709
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -54.537
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: 172
Temperature: 1.300000
Total energy: -609.628895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.628895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.628895 (E_RNA)
where:
Base-Base interactions energy: -406.177
where: short stacking energy: -161.215
Base-Backbone interact. energy: 0.361
local terms energy: -203.813016
where:
bonds (distance) C4'-P energy: -50.066
bonds (distance) P-C4' energy: -50.789
flat angles C4'-P-C4' energy: -39.986
flat angles P-C4'-P energy: -26.226
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: 172
Temperature: 1.350000
Total energy: -414.228437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.228437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.228437 (E_RNA)
where:
Base-Base interactions energy: -235.903
where: short stacking energy: -112.310
Base-Backbone interact. energy: 3.135
local terms energy: -181.460827
where:
bonds (distance) C4'-P energy: -43.290
bonds (distance) P-C4' energy: -47.215
flat angles C4'-P-C4' energy: -40.164
flat angles P-C4'-P energy: -28.294
tors. eta vs tors. theta energy: -22.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -926.333879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.333879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.333879 (E_RNA)
where:
Base-Base interactions energy: -654.266
where: short stacking energy: -275.845
Base-Backbone interact. energy: -1.409
local terms energy: -270.659130
where:
bonds (distance) C4'-P energy: -49.323
bonds (distance) P-C4' energy: -52.250
flat angles C4'-P-C4' energy: -54.953
flat angles P-C4'-P energy: -35.565
tors. eta vs tors. theta energy: -78.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -942.192062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.192062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.192062 (E_RNA)
where:
Base-Base interactions energy: -650.367
where: short stacking energy: -280.299
Base-Backbone interact. energy: -0.701
local terms energy: -291.124083
where:
bonds (distance) C4'-P energy: -52.746
bonds (distance) P-C4' energy: -57.317
flat angles C4'-P-C4' energy: -51.140
flat angles P-C4'-P energy: -44.616
tors. eta vs tors. theta energy: -85.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -923.887991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.887991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.887991 (E_RNA)
where:
Base-Base interactions energy: -641.248
where: short stacking energy: -261.636
Base-Backbone interact. energy: -0.953
local terms energy: -281.686879
where:
bonds (distance) C4'-P energy: -46.544
bonds (distance) P-C4' energy: -49.137
flat angles C4'-P-C4' energy: -60.487
flat angles P-C4'-P energy: -43.493
tors. eta vs tors. theta energy: -82.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -848.412655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.412655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.412655 (E_RNA)
where:
Base-Base interactions energy: -591.180
where: short stacking energy: -266.846
Base-Backbone interact. energy: -0.651
local terms energy: -256.582167
where:
bonds (distance) C4'-P energy: -48.086
bonds (distance) P-C4' energy: -43.527
flat angles C4'-P-C4' energy: -54.972
flat angles P-C4'-P energy: -38.111
tors. eta vs tors. theta energy: -71.885
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: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -791.051397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.051397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.051397 (E_RNA)
where:
Base-Base interactions energy: -535.848
where: short stacking energy: -212.583
Base-Backbone interact. energy: -0.572
local terms energy: -254.631669
where:
bonds (distance) C4'-P energy: -51.467
bonds (distance) P-C4' energy: -41.942
flat angles C4'-P-C4' energy: -59.574
flat angles P-C4'-P energy: -43.343
tors. eta vs tors. theta energy: -58.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -750.571342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.571342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.571342 (E_RNA)
where:
Base-Base interactions energy: -517.344
where: short stacking energy: -221.848
Base-Backbone interact. energy: -1.354
local terms energy: -231.873212
where:
bonds (distance) C4'-P energy: -51.474
bonds (distance) P-C4' energy: -44.711
flat angles C4'-P-C4' energy: -41.248
flat angles P-C4'-P energy: -38.746
tors. eta vs tors. theta energy: -55.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -775.334253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.334253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.334253 (E_RNA)
where:
Base-Base interactions energy: -520.263
where: short stacking energy: -223.150
Base-Backbone interact. energy: -0.193
local terms energy: -254.878894
where:
bonds (distance) C4'-P energy: -48.725
bonds (distance) P-C4' energy: -54.196
flat angles C4'-P-C4' energy: -53.023
flat angles P-C4'-P energy: -33.039
tors. eta vs tors. theta energy: -65.895
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: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -678.607408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.607408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.607408 (E_RNA)
where:
Base-Base interactions energy: -457.661
where: short stacking energy: -188.960
Base-Backbone interact. energy: -0.626
local terms energy: -220.320155
where:
bonds (distance) C4'-P energy: -30.475
bonds (distance) P-C4' energy: -47.635
flat angles C4'-P-C4' energy: -60.129
flat angles P-C4'-P energy: -35.315
tors. eta vs tors. theta energy: -46.766
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: 173
Temperature: 1.300000
Total energy: -594.193272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.193272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.193272 (E_RNA)
where:
Base-Base interactions energy: -415.009
where: short stacking energy: -188.354
Base-Backbone interact. energy: -0.203
local terms energy: -178.981727
where:
bonds (distance) C4'-P energy: -40.431
bonds (distance) P-C4' energy: -30.967
flat angles C4'-P-C4' energy: -42.173
flat angles P-C4'-P energy: -24.612
tors. eta vs tors. theta energy: -40.799
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: 173
Temperature: 1.350000
Total energy: -452.611150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.611150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.611150 (E_RNA)
where:
Base-Base interactions energy: -267.762
where: short stacking energy: -124.249
Base-Backbone interact. energy: 0.529
local terms energy: -185.377986
where:
bonds (distance) C4'-P energy: -43.215
bonds (distance) P-C4' energy: -48.207
flat angles C4'-P-C4' energy: -49.215
flat angles P-C4'-P energy: -24.438
tors. eta vs tors. theta energy: -20.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -959.977452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.977452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.977452 (E_RNA)
where:
Base-Base interactions energy: -667.244
where: short stacking energy: -283.380
Base-Backbone interact. energy: -1.661
local terms energy: -291.072283
where:
bonds (distance) C4'-P energy: -56.132
bonds (distance) P-C4' energy: -51.296
flat angles C4'-P-C4' energy: -58.108
flat angles P-C4'-P energy: -36.901
tors. eta vs tors. theta energy: -88.635
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: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -899.552072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.552072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.552072 (E_RNA)
where:
Base-Base interactions energy: -608.481
where: short stacking energy: -264.983
Base-Backbone interact. energy: -1.446
local terms energy: -289.625690
where:
bonds (distance) C4'-P energy: -56.090
bonds (distance) P-C4' energy: -56.776
flat angles C4'-P-C4' energy: -59.823
flat angles P-C4'-P energy: -41.882
tors. eta vs tors. theta energy: -75.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -911.320702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.320702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.320702 (E_RNA)
where:
Base-Base interactions energy: -624.858
where: short stacking energy: -256.268
Base-Backbone interact. energy: -2.218
local terms energy: -284.245220
where:
bonds (distance) C4'-P energy: -56.998
bonds (distance) P-C4' energy: -51.861
flat angles C4'-P-C4' energy: -55.759
flat angles P-C4'-P energy: -43.166
tors. eta vs tors. theta energy: -76.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -842.358453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.358453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.358453 (E_RNA)
where:
Base-Base interactions energy: -581.898
where: short stacking energy: -247.809
Base-Backbone interact. energy: -0.254
local terms energy: -260.207000
where:
bonds (distance) C4'-P energy: -51.609
bonds (distance) P-C4' energy: -56.362
flat angles C4'-P-C4' energy: -50.145
flat angles P-C4'-P energy: -31.621
tors. eta vs tors. theta energy: -70.470
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: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -776.067247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.067247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.067247 (E_RNA)
where:
Base-Base interactions energy: -539.936
where: short stacking energy: -228.946
Base-Backbone interact. energy: -1.049
local terms energy: -235.081839
where:
bonds (distance) C4'-P energy: -50.559
bonds (distance) P-C4' energy: -42.890
flat angles C4'-P-C4' energy: -47.888
flat angles P-C4'-P energy: -36.863
tors. eta vs tors. theta energy: -56.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -751.899488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.899488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.899488 (E_RNA)
where:
Base-Base interactions energy: -526.527
where: short stacking energy: -224.433
Base-Backbone interact. energy: -1.011
local terms energy: -224.361254
where:
bonds (distance) C4'-P energy: -45.542
bonds (distance) P-C4' energy: -46.466
flat angles C4'-P-C4' energy: -50.164
flat angles P-C4'-P energy: -24.672
tors. eta vs tors. theta energy: -57.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -761.985597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.985597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.985597 (E_RNA)
where:
Base-Base interactions energy: -531.762
where: short stacking energy: -224.927
Base-Backbone interact. energy: -1.046
local terms energy: -229.178463
where:
bonds (distance) C4'-P energy: -36.641
bonds (distance) P-C4' energy: -40.417
flat angles C4'-P-C4' energy: -52.107
flat angles P-C4'-P energy: -36.226
tors. eta vs tors. theta energy: -63.788
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: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -692.009249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.009249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.009249 (E_RNA)
where:
Base-Base interactions energy: -484.196
where: short stacking energy: -216.062
Base-Backbone interact. energy: -0.354
local terms energy: -207.459777
where:
bonds (distance) C4'-P energy: -34.841
bonds (distance) P-C4' energy: -37.192
flat angles C4'-P-C4' energy: -50.540
flat angles P-C4'-P energy: -27.069
tors. eta vs tors. theta energy: -57.819
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: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -591.851584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.851584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.851584 (E_RNA)
where:
Base-Base interactions energy: -396.240
where: short stacking energy: -170.743
Base-Backbone interact. energy: -1.067
local terms energy: -194.544189
where:
bonds (distance) C4'-P energy: -39.592
bonds (distance) P-C4' energy: -40.328
flat angles C4'-P-C4' energy: -50.897
flat angles P-C4'-P energy: -28.885
tors. eta vs tors. theta energy: -34.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -407.331717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.331717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.331717 (E_RNA)
where:
Base-Base interactions energy: -226.133
where: short stacking energy: -124.943
Base-Backbone interact. energy: 1.661
local terms energy: -182.860389
where:
bonds (distance) C4'-P energy: -51.335
bonds (distance) P-C4' energy: -41.406
flat angles C4'-P-C4' energy: -41.473
flat angles P-C4'-P energy: -28.999
tors. eta vs tors. theta energy: -19.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -970.895516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.895516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.895516 (E_RNA)
where:
Base-Base interactions energy: -688.322
where: short stacking energy: -304.223
Base-Backbone interact. energy: -0.947
local terms energy: -281.626757
where:
bonds (distance) C4'-P energy: -51.833
bonds (distance) P-C4' energy: -46.456
flat angles C4'-P-C4' energy: -55.309
flat angles P-C4'-P energy: -42.418
tors. eta vs tors. theta energy: -85.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -923.744796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.744796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.744796 (E_RNA)
where:
Base-Base interactions energy: -635.812
where: short stacking energy: -263.330
Base-Backbone interact. energy: -2.220
local terms energy: -285.712169
where:
bonds (distance) C4'-P energy: -45.815
bonds (distance) P-C4' energy: -59.259
flat angles C4'-P-C4' energy: -64.539
flat angles P-C4'-P energy: -37.284
tors. eta vs tors. theta energy: -78.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -878.723535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.723535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.723535 (E_RNA)
where:
Base-Base interactions energy: -597.316
where: short stacking energy: -268.607
Base-Backbone interact. energy: 0.198
local terms energy: -281.605842
where:
bonds (distance) C4'-P energy: -52.921
bonds (distance) P-C4' energy: -51.165
flat angles C4'-P-C4' energy: -56.909
flat angles P-C4'-P energy: -39.908
tors. eta vs tors. theta energy: -80.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -858.110069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.110069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.110069 (E_RNA)
where:
Base-Base interactions energy: -581.739
where: short stacking energy: -264.237
Base-Backbone interact. energy: -1.904
local terms energy: -274.466544
where:
bonds (distance) C4'-P energy: -53.858
bonds (distance) P-C4' energy: -47.811
flat angles C4'-P-C4' energy: -55.428
flat angles P-C4'-P energy: -37.403
tors. eta vs tors. theta energy: -79.966
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: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -800.194162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.194162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.194162 (E_RNA)
where:
Base-Base interactions energy: -549.333
where: short stacking energy: -240.848
Base-Backbone interact. energy: -0.749
local terms energy: -250.113071
where:
bonds (distance) C4'-P energy: -44.286
bonds (distance) P-C4' energy: -47.260
flat angles C4'-P-C4' energy: -48.870
flat angles P-C4'-P energy: -41.931
tors. eta vs tors. theta energy: -67.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -768.868542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.868542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.868542 (E_RNA)
where:
Base-Base interactions energy: -530.600
where: short stacking energy: -226.437
Base-Backbone interact. energy: -0.852
local terms energy: -237.416492
where:
bonds (distance) C4'-P energy: -46.006
bonds (distance) P-C4' energy: -46.892
flat angles C4'-P-C4' energy: -51.507
flat angles P-C4'-P energy: -37.780
tors. eta vs tors. theta energy: -55.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -763.501881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.501881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.501881 (E_RNA)
where:
Base-Base interactions energy: -523.397
where: short stacking energy: -220.742
Base-Backbone interact. energy: 0.388
local terms energy: -240.492396
where:
bonds (distance) C4'-P energy: -49.976
bonds (distance) P-C4' energy: -48.716
flat angles C4'-P-C4' energy: -48.819
flat angles P-C4'-P energy: -32.331
tors. eta vs tors. theta energy: -60.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -609.379716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.379716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.379716 (E_RNA)
where:
Base-Base interactions energy: -405.907
where: short stacking energy: -162.275
Base-Backbone interact. energy: -0.324
local terms energy: -203.148618
where:
bonds (distance) C4'-P energy: -44.733
bonds (distance) P-C4' energy: -45.925
flat angles C4'-P-C4' energy: -48.265
flat angles P-C4'-P energy: -32.552
tors. eta vs tors. theta energy: -31.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -647.819136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.819136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.819136 (E_RNA)
where:
Base-Base interactions energy: -424.065
where: short stacking energy: -176.528
Base-Backbone interact. energy: -0.577
local terms energy: -223.177165
where:
bonds (distance) C4'-P energy: -51.011
bonds (distance) P-C4' energy: -45.968
flat angles C4'-P-C4' energy: -55.685
flat angles P-C4'-P energy: -31.888
tors. eta vs tors. theta energy: -38.627
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: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -392.460663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.460663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.460663 (E_RNA)
where:
Base-Base interactions energy: -221.033
where: short stacking energy: -105.835
Base-Backbone interact. energy: 4.230
local terms energy: -175.657277
where:
bonds (distance) C4'-P energy: -47.508
bonds (distance) P-C4' energy: -46.870
flat angles C4'-P-C4' energy: -41.785
flat angles P-C4'-P energy: -36.917
tors. eta vs tors. theta energy: -2.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -962.198524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.198524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.198524 (E_RNA)
where:
Base-Base interactions energy: -669.543
where: short stacking energy: -308.196
Base-Backbone interact. energy: -0.993
local terms energy: -291.662158
where:
bonds (distance) C4'-P energy: -51.597
bonds (distance) P-C4' energy: -49.522
flat angles C4'-P-C4' energy: -59.727
flat angles P-C4'-P energy: -42.093
tors. eta vs tors. theta energy: -88.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -911.101846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.101846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.101846 (E_RNA)
where:
Base-Base interactions energy: -641.582
where: short stacking energy: -262.081
Base-Backbone interact. energy: -1.643
local terms energy: -267.877024
where:
bonds (distance) C4'-P energy: -51.209
bonds (distance) P-C4' energy: -47.555
flat angles C4'-P-C4' energy: -59.185
flat angles P-C4'-P energy: -40.019
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: 3, replica: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -861.116403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.116403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.116403 (E_RNA)
where:
Base-Base interactions energy: -582.333
where: short stacking energy: -260.507
Base-Backbone interact. energy: 1.236
local terms energy: -280.019698
where:
bonds (distance) C4'-P energy: -55.539
bonds (distance) P-C4' energy: -51.239
flat angles C4'-P-C4' energy: -54.545
flat angles P-C4'-P energy: -40.867
tors. eta vs tors. theta energy: -77.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -868.328247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.328247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.328247 (E_RNA)
where:
Base-Base interactions energy: -603.718
where: short stacking energy: -261.602
Base-Backbone interact. energy: -0.510
local terms energy: -264.100350
where:
bonds (distance) C4'-P energy: -37.592
bonds (distance) P-C4' energy: -55.171
flat angles C4'-P-C4' energy: -49.702
flat angles P-C4'-P energy: -40.502
tors. eta vs tors. theta energy: -81.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -789.931230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.931230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.931230 (E_RNA)
where:
Base-Base interactions energy: -551.613
where: short stacking energy: -242.274
Base-Backbone interact. energy: -0.121
local terms energy: -238.197797
where:
bonds (distance) C4'-P energy: -42.224
bonds (distance) P-C4' energy: -46.302
flat angles C4'-P-C4' energy: -50.924
flat angles P-C4'-P energy: -30.815
tors. eta vs tors. theta energy: -67.932
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: 176
Temperature: 1.150000
Total energy: -774.244752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.244752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.244752 (E_RNA)
where:
Base-Base interactions energy: -530.508
where: short stacking energy: -234.568
Base-Backbone interact. energy: 0.714
local terms energy: -244.450878
where:
bonds (distance) C4'-P energy: -45.639
bonds (distance) P-C4' energy: -48.305
flat angles C4'-P-C4' energy: -48.660
flat angles P-C4'-P energy: -30.200
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: 7, replica: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -714.176477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.176477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.176477 (E_RNA)
where:
Base-Base interactions energy: -498.277
where: short stacking energy: -200.502
Base-Backbone interact. energy: -0.643
local terms energy: -215.256158
where:
bonds (distance) C4'-P energy: -49.140
bonds (distance) P-C4' energy: -43.542
flat angles C4'-P-C4' energy: -41.193
flat angles P-C4'-P energy: -33.108
tors. eta vs tors. theta energy: -48.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -635.971365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.971365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.971365 (E_RNA)
where:
Base-Base interactions energy: -435.333
where: short stacking energy: -204.261
Base-Backbone interact. energy: -0.228
local terms energy: -200.409952
where:
bonds (distance) C4'-P energy: -41.690
bonds (distance) P-C4' energy: -33.229
flat angles C4'-P-C4' energy: -47.065
flat angles P-C4'-P energy: -24.839
tors. eta vs tors. theta energy: -53.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -648.839696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.839696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.839696 (E_RNA)
where:
Base-Base interactions energy: -459.816
where: short stacking energy: -199.112
Base-Backbone interact. energy: -0.956
local terms energy: -188.067149
where:
bonds (distance) C4'-P energy: -32.977
bonds (distance) P-C4' energy: -40.131
flat angles C4'-P-C4' energy: -47.859
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -45.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -492.398464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.398464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.398464 (E_RNA)
where:
Base-Base interactions energy: -303.633
where: short stacking energy: -140.018
Base-Backbone interact. energy: 1.957
local terms energy: -190.722537
where:
bonds (distance) C4'-P energy: -49.068
bonds (distance) P-C4' energy: -50.790
flat angles C4'-P-C4' energy: -36.912
flat angles P-C4'-P energy: -30.716
tors. eta vs tors. theta energy: -23.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -973.928569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.928569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.928569 (E_RNA)
where:
Base-Base interactions energy: -675.380
where: short stacking energy: -302.144
Base-Backbone interact. energy: 0.300
local terms energy: -298.849099
where:
bonds (distance) C4'-P energy: -45.068
bonds (distance) P-C4' energy: -52.759
flat angles C4'-P-C4' energy: -57.359
flat angles P-C4'-P energy: -49.411
tors. eta vs tors. theta energy: -94.253
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: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -926.443419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.443419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.443419 (E_RNA)
where:
Base-Base interactions energy: -644.374
where: short stacking energy: -265.528
Base-Backbone interact. energy: 0.043
local terms energy: -282.112272
where:
bonds (distance) C4'-P energy: -53.153
bonds (distance) P-C4' energy: -56.877
flat angles C4'-P-C4' energy: -62.221
flat angles P-C4'-P energy: -30.284
tors. eta vs tors. theta energy: -79.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -862.542814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.542814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.542814 (E_RNA)
where:
Base-Base interactions energy: -598.290
where: short stacking energy: -257.919
Base-Backbone interact. energy: -1.009
local terms energy: -263.243927
where:
bonds (distance) C4'-P energy: -49.510
bonds (distance) P-C4' energy: -52.315
flat angles C4'-P-C4' energy: -48.541
flat angles P-C4'-P energy: -39.157
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: 4, replica: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -867.869262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.869262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.869262 (E_RNA)
where:
Base-Base interactions energy: -590.044
where: short stacking energy: -258.202
Base-Backbone interact. energy: -1.114
local terms energy: -276.711853
where:
bonds (distance) C4'-P energy: -45.743
bonds (distance) P-C4' energy: -47.039
flat angles C4'-P-C4' energy: -64.205
flat angles P-C4'-P energy: -41.574
tors. eta vs tors. theta energy: -78.152
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: 5, replica: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -800.856153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.856153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.856153 (E_RNA)
where:
Base-Base interactions energy: -544.588
where: short stacking energy: -232.542
Base-Backbone interact. energy: -0.545
local terms energy: -255.722372
where:
bonds (distance) C4'-P energy: -49.141
bonds (distance) P-C4' energy: -49.727
flat angles C4'-P-C4' energy: -52.945
flat angles P-C4'-P energy: -42.986
tors. eta vs tors. theta energy: -60.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -760.223163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.223163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.223163 (E_RNA)
where:
Base-Base interactions energy: -525.779
where: short stacking energy: -214.886
Base-Backbone interact. energy: -0.836
local terms energy: -233.607571
where:
bonds (distance) C4'-P energy: -45.371
bonds (distance) P-C4' energy: -50.429
flat angles C4'-P-C4' energy: -54.583
flat angles P-C4'-P energy: -26.519
tors. eta vs tors. theta energy: -56.706
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: 7, replica: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -739.709641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.709641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.709641 (E_RNA)
where:
Base-Base interactions energy: -498.880
where: short stacking energy: -222.892
Base-Backbone interact. energy: -0.332
local terms energy: -240.498012
where:
bonds (distance) C4'-P energy: -41.788
bonds (distance) P-C4' energy: -52.108
flat angles C4'-P-C4' energy: -56.559
flat angles P-C4'-P energy: -33.454
tors. eta vs tors. theta energy: -56.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -625.268982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.268982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.268982 (E_RNA)
where:
Base-Base interactions energy: -416.273
where: short stacking energy: -174.091
Base-Backbone interact. energy: 0.667
local terms energy: -209.662248
where:
bonds (distance) C4'-P energy: -42.571
bonds (distance) P-C4' energy: -46.691
flat angles C4'-P-C4' energy: -48.416
flat angles P-C4'-P energy: -32.332
tors. eta vs tors. theta energy: -39.653
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: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -625.902767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.902767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.902767 (E_RNA)
where:
Base-Base interactions energy: -422.596
where: short stacking energy: -168.368
Base-Backbone interact. energy: 1.451
local terms energy: -204.757675
where:
bonds (distance) C4'-P energy: -42.805
bonds (distance) P-C4' energy: -48.706
flat angles C4'-P-C4' energy: -42.485
flat angles P-C4'-P energy: -24.589
tors. eta vs tors. theta energy: -46.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -509.469464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.469464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.469464 (E_RNA)
where:
Base-Base interactions energy: -315.770
where: short stacking energy: -149.404
Base-Backbone interact. energy: -0.505
local terms energy: -193.195100
where:
bonds (distance) C4'-P energy: -41.958
bonds (distance) P-C4' energy: -43.605
flat angles C4'-P-C4' energy: -46.551
flat angles P-C4'-P energy: -26.873
tors. eta vs tors. theta energy: -34.208
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: 1, replica: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -970.973304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.973304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.973304 (E_RNA)
where:
Base-Base interactions energy: -679.004
where: short stacking energy: -295.856
Base-Backbone interact. energy: 0.530
local terms energy: -292.498489
where:
bonds (distance) C4'-P energy: -53.198
bonds (distance) P-C4' energy: -45.437
flat angles C4'-P-C4' energy: -59.870
flat angles P-C4'-P energy: -45.272
tors. eta vs tors. theta energy: -88.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -918.669952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.669952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.669952 (E_RNA)
where:
Base-Base interactions energy: -624.235
where: short stacking energy: -268.185
Base-Backbone interact. energy: -0.998
local terms energy: -293.437225
where:
bonds (distance) C4'-P energy: -55.949
bonds (distance) P-C4' energy: -54.932
flat angles C4'-P-C4' energy: -59.798
flat angles P-C4'-P energy: -38.228
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: 3, replica: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -924.169926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.169926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.169926 (E_RNA)
where:
Base-Base interactions energy: -636.058
where: short stacking energy: -292.108
Base-Backbone interact. energy: 0.470
local terms energy: -288.582104
where:
bonds (distance) C4'-P energy: -46.672
bonds (distance) P-C4' energy: -48.366
flat angles C4'-P-C4' energy: -59.990
flat angles P-C4'-P energy: -42.009
tors. eta vs tors. theta energy: -91.545
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: 1
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -878.899851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.899851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.899851 (E_RNA)
where:
Base-Base interactions energy: -617.510
where: short stacking energy: -259.181
Base-Backbone interact. energy: -0.337
local terms energy: -261.053189
where:
bonds (distance) C4'-P energy: -56.356
bonds (distance) P-C4' energy: -41.579
flat angles C4'-P-C4' energy: -53.711
flat angles P-C4'-P energy: -38.073
tors. eta vs tors. theta energy: -71.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -774.508125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.508125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.508125 (E_RNA)
where:
Base-Base interactions energy: -529.393
where: short stacking energy: -220.279
Base-Backbone interact. energy: -1.018
local terms energy: -244.096831
where:
bonds (distance) C4'-P energy: -41.182
bonds (distance) P-C4' energy: -49.887
flat angles C4'-P-C4' energy: -55.168
flat angles P-C4'-P energy: -33.136
tors. eta vs tors. theta energy: -64.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -735.525279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.525279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.525279 (E_RNA)
where:
Base-Base interactions energy: -515.350
where: short stacking energy: -205.708
Base-Backbone interact. energy: 1.205
local terms energy: -221.380428
where:
bonds (distance) C4'-P energy: -46.576
bonds (distance) P-C4' energy: -45.911
flat angles C4'-P-C4' energy: -49.528
flat angles P-C4'-P energy: -31.153
tors. eta vs tors. theta energy: -48.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -765.971037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.971037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.971037 (E_RNA)
where:
Base-Base interactions energy: -540.827
where: short stacking energy: -215.394
Base-Backbone interact. energy: -0.856
local terms energy: -224.288026
where:
bonds (distance) C4'-P energy: -51.312
bonds (distance) P-C4' energy: -39.917
flat angles C4'-P-C4' energy: -47.215
flat angles P-C4'-P energy: -33.718
tors. eta vs tors. theta energy: -52.126
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: 178
Temperature: 1.250000
Total energy: -624.730685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.730685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.730685 (E_RNA)
where:
Base-Base interactions energy: -418.019
where: short stacking energy: -188.589
Base-Backbone interact. energy: 0.980
local terms energy: -207.691374
where:
bonds (distance) C4'-P energy: -34.598
bonds (distance) P-C4' energy: -52.015
flat angles C4'-P-C4' energy: -48.540
flat angles P-C4'-P energy: -31.298
tors. eta vs tors. theta energy: -41.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -602.228264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.228264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.228264 (E_RNA)
where:
Base-Base interactions energy: -400.072
where: short stacking energy: -174.128
Base-Backbone interact. energy: -0.750
local terms energy: -201.406102
where:
bonds (distance) C4'-P energy: -44.007
bonds (distance) P-C4' energy: -46.870
flat angles C4'-P-C4' energy: -39.352
flat angles P-C4'-P energy: -30.273
tors. eta vs tors. theta energy: -40.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -533.020737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.020737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.020737 (E_RNA)
where:
Base-Base interactions energy: -330.932
where: short stacking energy: -151.478
Base-Backbone interact. energy: 0.273
local terms energy: -202.362090
where:
bonds (distance) C4'-P energy: -40.491
bonds (distance) P-C4' energy: -49.977
flat angles C4'-P-C4' energy: -50.537
flat angles P-C4'-P energy: -22.504
tors. eta vs tors. theta energy: -38.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -958.847400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.847400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.847400 (E_RNA)
where:
Base-Base interactions energy: -664.043
where: short stacking energy: -289.343
Base-Backbone interact. energy: -1.896
local terms energy: -292.908906
where:
bonds (distance) C4'-P energy: -50.841
bonds (distance) P-C4' energy: -48.378
flat angles C4'-P-C4' energy: -62.028
flat angles P-C4'-P energy: -42.958
tors. eta vs tors. theta energy: -88.705
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: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -928.834754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.834754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.834754 (E_RNA)
where:
Base-Base interactions energy: -639.214
where: short stacking energy: -273.351
Base-Backbone interact. energy: 3.457
local terms energy: -293.077671
where:
bonds (distance) C4'-P energy: -51.748
bonds (distance) P-C4' energy: -58.982
flat angles C4'-P-C4' energy: -57.153
flat angles P-C4'-P energy: -44.493
tors. eta vs tors. theta energy: -80.701
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: 179
Temperature: 1.000000
Total energy: -893.542497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.542497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.542497 (E_RNA)
where:
Base-Base interactions energy: -620.191
where: short stacking energy: -262.019
Base-Backbone interact. energy: -0.317
local terms energy: -273.034408
where:
bonds (distance) C4'-P energy: -44.015
bonds (distance) P-C4' energy: -45.686
flat angles C4'-P-C4' energy: -61.929
flat angles P-C4'-P energy: -43.855
tors. eta vs tors. theta energy: -77.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -869.688452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.688452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.688452 (E_RNA)
where:
Base-Base interactions energy: -610.267
where: short stacking energy: -263.203
Base-Backbone interact. energy: -0.405
local terms energy: -259.015813
where:
bonds (distance) C4'-P energy: -48.478
bonds (distance) P-C4' energy: -42.322
flat angles C4'-P-C4' energy: -58.159
flat angles P-C4'-P energy: -32.937
tors. eta vs tors. theta energy: -77.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -786.703991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.703991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.703991 (E_RNA)
where:
Base-Base interactions energy: -550.543
where: short stacking energy: -244.102
Base-Backbone interact. energy: 0.360
local terms energy: -236.521221
where:
bonds (distance) C4'-P energy: -43.257
bonds (distance) P-C4' energy: -47.685
flat angles C4'-P-C4' energy: -53.743
flat angles P-C4'-P energy: -29.400
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: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -757.990395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.990395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.990395 (E_RNA)
where:
Base-Base interactions energy: -517.774
where: short stacking energy: -228.063
Base-Backbone interact. energy: -0.316
local terms energy: -239.900525
where:
bonds (distance) C4'-P energy: -30.929
bonds (distance) P-C4' energy: -53.888
flat angles C4'-P-C4' energy: -54.754
flat angles P-C4'-P energy: -37.237
tors. eta vs tors. theta energy: -63.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -722.428671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.428671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.428671 (E_RNA)
where:
Base-Base interactions energy: -502.094
where: short stacking energy: -210.581
Base-Backbone interact. energy: 0.033
local terms energy: -220.367118
where:
bonds (distance) C4'-P energy: -37.701
bonds (distance) P-C4' energy: -54.311
flat angles C4'-P-C4' energy: -41.807
flat angles P-C4'-P energy: -36.091
tors. eta vs tors. theta energy: -50.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -628.429955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.429955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.429955 (E_RNA)
where:
Base-Base interactions energy: -422.878
where: short stacking energy: -193.586
Base-Backbone interact. energy: -0.272
local terms energy: -205.280325
where:
bonds (distance) C4'-P energy: -51.598
bonds (distance) P-C4' energy: -36.387
flat angles C4'-P-C4' energy: -42.062
flat angles P-C4'-P energy: -29.204
tors. eta vs tors. theta energy: -46.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -593.803471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.803471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.803471 (E_RNA)
where:
Base-Base interactions energy: -416.301
where: short stacking energy: -173.231
Base-Backbone interact. energy: 0.683
local terms energy: -178.184619
where:
bonds (distance) C4'-P energy: -36.676
bonds (distance) P-C4' energy: -35.016
flat angles C4'-P-C4' energy: -46.155
flat angles P-C4'-P energy: -27.381
tors. eta vs tors. theta energy: -32.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -539.836961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.836961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.836961 (E_RNA)
where:
Base-Base interactions energy: -351.796
where: short stacking energy: -160.574
Base-Backbone interact. energy: 2.094
local terms energy: -190.134130
where:
bonds (distance) C4'-P energy: -35.208
bonds (distance) P-C4' energy: -43.847
flat angles C4'-P-C4' energy: -44.822
flat angles P-C4'-P energy: -31.158
tors. eta vs tors. theta energy: -35.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -949.571440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.571440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.571440 (E_RNA)
where:
Base-Base interactions energy: -670.225
where: short stacking energy: -284.752
Base-Backbone interact. energy: -1.524
local terms energy: -277.822292
where:
bonds (distance) C4'-P energy: -43.568
bonds (distance) P-C4' energy: -53.102
flat angles C4'-P-C4' energy: -63.892
flat angles P-C4'-P energy: -38.274
tors. eta vs tors. theta energy: -78.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -953.333983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.333983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.333983 (E_RNA)
where:
Base-Base interactions energy: -671.198
where: short stacking energy: -296.128
Base-Backbone interact. energy: 0.274
local terms energy: -282.410053
where:
bonds (distance) C4'-P energy: -47.948
bonds (distance) P-C4' energy: -43.543
flat angles C4'-P-C4' energy: -60.307
flat angles P-C4'-P energy: -48.547
tors. eta vs tors. theta energy: -82.065
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: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -898.266369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.266369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.266369 (E_RNA)
where:
Base-Base interactions energy: -618.438
where: short stacking energy: -262.953
Base-Backbone interact. energy: -0.526
local terms energy: -279.302686
where:
bonds (distance) C4'-P energy: -48.483
bonds (distance) P-C4' energy: -50.117
flat angles C4'-P-C4' energy: -59.556
flat angles P-C4'-P energy: -43.586
tors. eta vs tors. theta energy: -77.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -873.270516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.270516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.270516 (E_RNA)
where:
Base-Base interactions energy: -597.342
where: short stacking energy: -261.138
Base-Backbone interact. energy: -0.005
local terms energy: -275.923699
where:
bonds (distance) C4'-P energy: -51.792
bonds (distance) P-C4' energy: -60.557
flat angles C4'-P-C4' energy: -50.645
flat angles P-C4'-P energy: -41.052
tors. eta vs tors. theta energy: -71.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -804.835047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.835047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.835047 (E_RNA)
where:
Base-Base interactions energy: -545.895
where: short stacking energy: -239.764
Base-Backbone interact. energy: 1.657
local terms energy: -260.596463
where:
bonds (distance) C4'-P energy: -55.878
bonds (distance) P-C4' energy: -51.990
flat angles C4'-P-C4' energy: -55.454
flat angles P-C4'-P energy: -33.653
tors. eta vs tors. theta energy: -63.621
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: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -778.583958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.583958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.583958 (E_RNA)
where:
Base-Base interactions energy: -527.030
where: short stacking energy: -235.891
Base-Backbone interact. energy: -0.461
local terms energy: -251.092782
where:
bonds (distance) C4'-P energy: -46.246
bonds (distance) P-C4' energy: -50.374
flat angles C4'-P-C4' energy: -49.010
flat angles P-C4'-P energy: -41.028
tors. eta vs tors. theta energy: -64.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -727.669935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.669935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.669935 (E_RNA)
where:
Base-Base interactions energy: -499.963
where: short stacking energy: -220.782
Base-Backbone interact. energy: -1.845
local terms energy: -225.862380
where:
bonds (distance) C4'-P energy: -37.815
bonds (distance) P-C4' energy: -36.560
flat angles C4'-P-C4' energy: -54.216
flat angles P-C4'-P energy: -34.231
tors. eta vs tors. theta energy: -63.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -643.835712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.835712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.835712 (E_RNA)
where:
Base-Base interactions energy: -406.459
where: short stacking energy: -184.695
Base-Backbone interact. energy: -0.309
local terms energy: -237.067490
where:
bonds (distance) C4'-P energy: -45.309
bonds (distance) P-C4' energy: -45.680
flat angles C4'-P-C4' energy: -57.634
flat angles P-C4'-P energy: -33.340
tors. eta vs tors. theta energy: -55.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -609.094405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.094405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.094405 (E_RNA)
where:
Base-Base interactions energy: -404.868
where: short stacking energy: -175.348
Base-Backbone interact. energy: -0.007
local terms energy: -204.219709
where:
bonds (distance) C4'-P energy: -47.364
bonds (distance) P-C4' energy: -37.823
flat angles C4'-P-C4' energy: -39.072
flat angles P-C4'-P energy: -33.548
tors. eta vs tors. theta energy: -46.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -578.131842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.131842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.131842 (E_RNA)
where:
Base-Base interactions energy: -395.586
where: short stacking energy: -162.247
Base-Backbone interact. energy: 0.367
local terms energy: -182.912996
where:
bonds (distance) C4'-P energy: -26.335
bonds (distance) P-C4' energy: -38.663
flat angles C4'-P-C4' energy: -51.458
flat angles P-C4'-P energy: -36.021
tors. eta vs tors. theta energy: -30.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -935.441730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.441730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.441730 (E_RNA)
where:
Base-Base interactions energy: -650.288
where: short stacking energy: -271.119
Base-Backbone interact. energy: -0.682
local terms energy: -284.471844
where:
bonds (distance) C4'-P energy: -54.467
bonds (distance) P-C4' energy: -55.118
flat angles C4'-P-C4' energy: -57.911
flat angles P-C4'-P energy: -42.052
tors. eta vs tors. theta energy: -74.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -951.531747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.531747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.531747 (E_RNA)
where:
Base-Base interactions energy: -659.892
where: short stacking energy: -303.507
Base-Backbone interact. energy: -0.928
local terms energy: -290.711939
where:
bonds (distance) C4'-P energy: -52.703
bonds (distance) P-C4' energy: -45.370
flat angles C4'-P-C4' energy: -60.062
flat angles P-C4'-P energy: -41.652
tors. eta vs tors. theta energy: -90.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -892.181985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.181985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.181985 (E_RNA)
where:
Base-Base interactions energy: -616.687
where: short stacking energy: -268.032
Base-Backbone interact. energy: -1.477
local terms energy: -274.018143
where:
bonds (distance) C4'-P energy: -43.516
bonds (distance) P-C4' energy: -58.264
flat angles C4'-P-C4' energy: -58.682
flat angles P-C4'-P energy: -35.078
tors. eta vs tors. theta energy: -78.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -868.500219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.500219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.500219 (E_RNA)
where:
Base-Base interactions energy: -604.929
where: short stacking energy: -258.015
Base-Backbone interact. energy: -0.039
local terms energy: -263.532129
where:
bonds (distance) C4'-P energy: -42.998
bonds (distance) P-C4' energy: -55.428
flat angles C4'-P-C4' energy: -53.983
flat angles P-C4'-P energy: -36.559
tors. eta vs tors. theta energy: -74.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -780.130149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.130149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.130149 (E_RNA)
where:
Base-Base interactions energy: -540.158
where: short stacking energy: -213.410
Base-Backbone interact. energy: -0.207
local terms energy: -239.765478
where:
bonds (distance) C4'-P energy: -53.205
bonds (distance) P-C4' energy: -52.022
flat angles C4'-P-C4' energy: -58.772
flat angles P-C4'-P energy: -25.006
tors. eta vs tors. theta energy: -50.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -771.598753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.598753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.598753 (E_RNA)
where:
Base-Base interactions energy: -520.541
where: short stacking energy: -212.457
Base-Backbone interact. energy: -1.799
local terms energy: -249.258466
where:
bonds (distance) C4'-P energy: -53.727
bonds (distance) P-C4' energy: -52.070
flat angles C4'-P-C4' energy: -53.337
flat angles P-C4'-P energy: -25.631
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: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -756.281040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.281040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.281040 (E_RNA)
where:
Base-Base interactions energy: -517.987
where: short stacking energy: -224.172
Base-Backbone interact. energy: 0.308
local terms energy: -238.601442
where:
bonds (distance) C4'-P energy: -40.791
bonds (distance) P-C4' energy: -47.017
flat angles C4'-P-C4' energy: -54.255
flat angles P-C4'-P energy: -31.178
tors. eta vs tors. theta energy: -65.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -670.314732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.314732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.314732 (E_RNA)
where:
Base-Base interactions energy: -432.114
where: short stacking energy: -200.762
Base-Backbone interact. energy: -0.264
local terms energy: -237.935779
where:
bonds (distance) C4'-P energy: -46.026
bonds (distance) P-C4' energy: -58.461
flat angles C4'-P-C4' energy: -49.282
flat angles P-C4'-P energy: -30.427
tors. eta vs tors. theta energy: -53.740
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: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -615.139738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.139738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.139738 (E_RNA)
where:
Base-Base interactions energy: -408.960
where: short stacking energy: -170.823
Base-Backbone interact. energy: 1.640
local terms energy: -207.819854
where:
bonds (distance) C4'-P energy: -48.487
bonds (distance) P-C4' energy: -43.072
flat angles C4'-P-C4' energy: -49.617
flat angles P-C4'-P energy: -26.299
tors. eta vs tors. theta energy: -40.345
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: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -529.311571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.311571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.311571 (E_RNA)
where:
Base-Base interactions energy: -342.854
where: short stacking energy: -154.264
Base-Backbone interact. energy: -1.353
local terms energy: -185.104549
where:
bonds (distance) C4'-P energy: -42.625
bonds (distance) P-C4' energy: -28.155
flat angles C4'-P-C4' energy: -44.542
flat angles P-C4'-P energy: -30.728
tors. eta vs tors. theta energy: -39.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -960.254605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.254605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.254605 (E_RNA)
where:
Base-Base interactions energy: -661.209
where: short stacking energy: -301.932
Base-Backbone interact. energy: -1.023
local terms energy: -298.022022
where:
bonds (distance) C4'-P energy: -57.733
bonds (distance) P-C4' energy: -53.419
flat angles C4'-P-C4' energy: -54.793
flat angles P-C4'-P energy: -44.973
tors. eta vs tors. theta energy: -87.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -919.628767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.628767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.628767 (E_RNA)
where:
Base-Base interactions energy: -635.757
where: short stacking energy: -259.170
Base-Backbone interact. energy: -0.649
local terms energy: -283.222668
where:
bonds (distance) C4'-P energy: -48.121
bonds (distance) P-C4' energy: -59.238
flat angles C4'-P-C4' energy: -62.529
flat angles P-C4'-P energy: -36.568
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: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -889.091226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.091226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.091226 (E_RNA)
where:
Base-Base interactions energy: -617.620
where: short stacking energy: -264.071
Base-Backbone interact. energy: 1.345
local terms energy: -272.816479
where:
bonds (distance) C4'-P energy: -49.741
bonds (distance) P-C4' energy: -51.344
flat angles C4'-P-C4' energy: -55.004
flat angles P-C4'-P energy: -37.554
tors. eta vs tors. theta energy: -79.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -861.859899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.859899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.859899 (E_RNA)
where:
Base-Base interactions energy: -589.112
where: short stacking energy: -263.111
Base-Backbone interact. energy: -2.412
local terms energy: -270.335931
where:
bonds (distance) C4'-P energy: -42.754
bonds (distance) P-C4' energy: -51.558
flat angles C4'-P-C4' energy: -58.343
flat angles P-C4'-P energy: -42.921
tors. eta vs tors. theta energy: -74.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -803.462513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.462513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.462513 (E_RNA)
where:
Base-Base interactions energy: -553.188
where: short stacking energy: -249.633
Base-Backbone interact. energy: 0.891
local terms energy: -251.165184
where:
bonds (distance) C4'-P energy: -44.719
bonds (distance) P-C4' energy: -43.668
flat angles C4'-P-C4' energy: -53.712
flat angles P-C4'-P energy: -40.206
tors. eta vs tors. theta energy: -68.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -763.179916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.179916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.179916 (E_RNA)
where:
Base-Base interactions energy: -514.880
where: short stacking energy: -208.618
Base-Backbone interact. energy: -0.718
local terms energy: -247.581032
where:
bonds (distance) C4'-P energy: -51.049
bonds (distance) P-C4' energy: -50.021
flat angles C4'-P-C4' energy: -51.320
flat angles P-C4'-P energy: -34.543
tors. eta vs tors. theta energy: -60.648
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: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -746.827276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.827276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.827276 (E_RNA)
where:
Base-Base interactions energy: -524.494
where: short stacking energy: -219.933
Base-Backbone interact. energy: 1.603
local terms energy: -223.936462
where:
bonds (distance) C4'-P energy: -40.839
bonds (distance) P-C4' energy: -45.162
flat angles C4'-P-C4' energy: -48.364
flat angles P-C4'-P energy: -37.707
tors. eta vs tors. theta energy: -51.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -673.668387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.668387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.668387 (E_RNA)
where:
Base-Base interactions energy: -438.157
where: short stacking energy: -199.552
Base-Backbone interact. energy: -0.928
local terms energy: -234.583572
where:
bonds (distance) C4'-P energy: -43.241
bonds (distance) P-C4' energy: -46.640
flat angles C4'-P-C4' energy: -48.081
flat angles P-C4'-P energy: -31.635
tors. eta vs tors. theta energy: -64.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -629.547352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.547352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.547352 (E_RNA)
where:
Base-Base interactions energy: -424.033
where: short stacking energy: -191.039
Base-Backbone interact. energy: 4.340
local terms energy: -209.854478
where:
bonds (distance) C4'-P energy: -47.535
bonds (distance) P-C4' energy: -43.046
flat angles C4'-P-C4' energy: -37.346
flat angles P-C4'-P energy: -38.512
tors. eta vs tors. theta energy: -43.415
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: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -575.974329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.974329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.974329 (E_RNA)
where:
Base-Base interactions energy: -376.506
where: short stacking energy: -167.162
Base-Backbone interact. energy: -0.915
local terms energy: -198.553620
where:
bonds (distance) C4'-P energy: -46.950
bonds (distance) P-C4' energy: -40.443
flat angles C4'-P-C4' energy: -43.494
flat angles P-C4'-P energy: -28.010
tors. eta vs tors. theta energy: -39.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -973.677068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.677068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.677068 (E_RNA)
where:
Base-Base interactions energy: -670.845
where: short stacking energy: -300.174
Base-Backbone interact. energy: -0.013
local terms energy: -302.819417
where:
bonds (distance) C4'-P energy: -49.305
bonds (distance) P-C4' energy: -53.145
flat angles C4'-P-C4' energy: -60.722
flat angles P-C4'-P energy: -47.211
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: 183
Temperature: 0.950000
Total energy: -916.623299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.623299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.623299 (E_RNA)
where:
Base-Base interactions energy: -638.597
where: short stacking energy: -267.422
Base-Backbone interact. energy: 0.982
local terms energy: -279.008213
where:
bonds (distance) C4'-P energy: -46.798
bonds (distance) P-C4' energy: -51.893
flat angles C4'-P-C4' energy: -61.388
flat angles P-C4'-P energy: -38.808
tors. eta vs tors. theta energy: -80.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -912.572849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.572849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.572849 (E_RNA)
where:
Base-Base interactions energy: -640.526
where: short stacking energy: -272.920
Base-Backbone interact. energy: -0.150
local terms energy: -271.896993
where:
bonds (distance) C4'-P energy: -42.521
bonds (distance) P-C4' energy: -49.474
flat angles C4'-P-C4' energy: -62.138
flat angles P-C4'-P energy: -39.579
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: 4, replica: 5
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -871.521056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.521056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.521056 (E_RNA)
where:
Base-Base interactions energy: -600.038
where: short stacking energy: -273.091
Base-Backbone interact. energy: -0.181
local terms energy: -271.302520
where:
bonds (distance) C4'-P energy: -47.865
bonds (distance) P-C4' energy: -40.536
flat angles C4'-P-C4' energy: -58.881
flat angles P-C4'-P energy: -42.392
tors. eta vs tors. theta energy: -81.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -806.161568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.161568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.161568 (E_RNA)
where:
Base-Base interactions energy: -559.635
where: short stacking energy: -230.644
Base-Backbone interact. energy: 2.101
local terms energy: -248.626911
where:
bonds (distance) C4'-P energy: -43.373
bonds (distance) P-C4' energy: -45.844
flat angles C4'-P-C4' energy: -50.874
flat angles P-C4'-P energy: -40.014
tors. eta vs tors. theta energy: -68.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -771.590963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.590963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.590963 (E_RNA)
where:
Base-Base interactions energy: -527.681
where: short stacking energy: -219.770
Base-Backbone interact. energy: 0.940
local terms energy: -244.850488
where:
bonds (distance) C4'-P energy: -41.397
bonds (distance) P-C4' energy: -48.220
flat angles C4'-P-C4' energy: -59.049
flat angles P-C4'-P energy: -35.023
tors. eta vs tors. theta energy: -61.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -738.220894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.220894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.220894 (E_RNA)
where:
Base-Base interactions energy: -502.248
where: short stacking energy: -216.523
Base-Backbone interact. energy: -0.798
local terms energy: -235.175446
where:
bonds (distance) C4'-P energy: -52.189
bonds (distance) P-C4' energy: -42.832
flat angles C4'-P-C4' energy: -47.240
flat angles P-C4'-P energy: -35.455
tors. eta vs tors. theta energy: -57.460
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: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -646.469045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.469045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.469045 (E_RNA)
where:
Base-Base interactions energy: -431.716
where: short stacking energy: -207.616
Base-Backbone interact. energy: -0.481
local terms energy: -214.271280
where:
bonds (distance) C4'-P energy: -33.747
bonds (distance) P-C4' energy: -41.988
flat angles C4'-P-C4' energy: -52.548
flat angles P-C4'-P energy: -30.715
tors. eta vs tors. theta energy: -55.273
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: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -617.218250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.218250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.218250 (E_RNA)
where:
Base-Base interactions energy: -409.677
where: short stacking energy: -171.911
Base-Backbone interact. energy: -0.258
local terms energy: -207.283521
where:
bonds (distance) C4'-P energy: -39.852
bonds (distance) P-C4' energy: -45.415
flat angles C4'-P-C4' energy: -46.303
flat angles P-C4'-P energy: -30.812
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: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -528.268456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.268456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.268456 (E_RNA)
where:
Base-Base interactions energy: -341.291
where: short stacking energy: -134.726
Base-Backbone interact. energy: 0.738
local terms energy: -187.715687
where:
bonds (distance) C4'-P energy: -39.688
bonds (distance) P-C4' energy: -49.581
flat angles C4'-P-C4' energy: -48.532
flat angles P-C4'-P energy: -27.850
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: 1, replica: 9
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -965.465407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.465407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.465407 (E_RNA)
where:
Base-Base interactions energy: -668.981
where: short stacking energy: -294.535
Base-Backbone interact. energy: 0.022
local terms energy: -296.506045
where:
bonds (distance) C4'-P energy: -55.944
bonds (distance) P-C4' energy: -52.448
flat angles C4'-P-C4' energy: -63.126
flat angles P-C4'-P energy: -38.275
tors. eta vs tors. theta energy: -86.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -902.487934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.487934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.487934 (E_RNA)
where:
Base-Base interactions energy: -610.796
where: short stacking energy: -269.715
Base-Backbone interact. energy: -0.056
local terms energy: -291.636243
where:
bonds (distance) C4'-P energy: -51.671
bonds (distance) P-C4' energy: -60.949
flat angles C4'-P-C4' energy: -57.583
flat angles P-C4'-P energy: -46.277
tors. eta vs tors. theta energy: -75.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -894.236938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.236938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.236938 (E_RNA)
where:
Base-Base interactions energy: -632.201
where: short stacking energy: -272.515
Base-Backbone interact. energy: 0.321
local terms energy: -262.357040
where:
bonds (distance) C4'-P energy: -48.317
bonds (distance) P-C4' energy: -51.189
flat angles C4'-P-C4' energy: -56.443
flat angles P-C4'-P energy: -35.050
tors. eta vs tors. theta energy: -71.358
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: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -856.326892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.326892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.326892 (E_RNA)
where:
Base-Base interactions energy: -587.108
where: short stacking energy: -246.410
Base-Backbone interact. energy: -1.419
local terms energy: -267.799632
where:
bonds (distance) C4'-P energy: -56.288
bonds (distance) P-C4' energy: -49.214
flat angles C4'-P-C4' energy: -60.759
flat angles P-C4'-P energy: -30.157
tors. eta vs tors. theta energy: -71.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -803.447729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.447729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.447729 (E_RNA)
where:
Base-Base interactions energy: -556.742
where: short stacking energy: -249.224
Base-Backbone interact. energy: -0.353
local terms energy: -246.352397
where:
bonds (distance) C4'-P energy: -47.278
bonds (distance) P-C4' energy: -44.085
flat angles C4'-P-C4' energy: -50.694
flat angles P-C4'-P energy: -38.898
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: 6, replica: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -738.803506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.803506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.803506 (E_RNA)
where:
Base-Base interactions energy: -504.277
where: short stacking energy: -213.950
Base-Backbone interact. energy: 1.558
local terms energy: -236.084235
where:
bonds (distance) C4'-P energy: -46.407
bonds (distance) P-C4' energy: -50.975
flat angles C4'-P-C4' energy: -56.227
flat angles P-C4'-P energy: -28.959
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: 7, replica: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -727.027765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.027765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.027765 (E_RNA)
where:
Base-Base interactions energy: -511.820
where: short stacking energy: -221.061
Base-Backbone interact. energy: -1.835
local terms energy: -213.372671
where:
bonds (distance) C4'-P energy: -40.612
bonds (distance) P-C4' energy: -45.802
flat angles C4'-P-C4' energy: -43.119
flat angles P-C4'-P energy: -24.192
tors. eta vs tors. theta energy: -59.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -615.111164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.111164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.111164 (E_RNA)
where:
Base-Base interactions energy: -410.278
where: short stacking energy: -191.049
Base-Backbone interact. energy: -0.543
local terms energy: -204.290981
where:
bonds (distance) C4'-P energy: -35.272
bonds (distance) P-C4' energy: -50.011
flat angles C4'-P-C4' energy: -42.916
flat angles P-C4'-P energy: -24.703
tors. eta vs tors. theta energy: -51.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -580.246416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.246416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.246416 (E_RNA)
where:
Base-Base interactions energy: -400.221
where: short stacking energy: -177.517
Base-Backbone interact. energy: -3.054
local terms energy: -176.970607
where:
bonds (distance) C4'-P energy: -39.431
bonds (distance) P-C4' energy: -29.914
flat angles C4'-P-C4' energy: -34.593
flat angles P-C4'-P energy: -25.425
tors. eta vs tors. theta energy: -47.608
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: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -572.245527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.245527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.245527 (E_RNA)
where:
Base-Base interactions energy: -376.399
where: short stacking energy: -155.151
Base-Backbone interact. energy: 1.281
local terms energy: -197.127143
where:
bonds (distance) C4'-P energy: -48.997
bonds (distance) P-C4' energy: -45.778
flat angles C4'-P-C4' energy: -42.847
flat angles P-C4'-P energy: -19.061
tors. eta vs tors. theta energy: -40.444
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: 9
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -979.191196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.191196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.191196 (E_RNA)
where:
Base-Base interactions energy: -669.705
where: short stacking energy: -295.721
Base-Backbone interact. energy: -1.814
local terms energy: -307.671916
where:
bonds (distance) C4'-P energy: -50.353
bonds (distance) P-C4' energy: -59.062
flat angles C4'-P-C4' energy: -65.468
flat angles P-C4'-P energy: -43.787
tors. eta vs tors. theta energy: -89.002
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: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -912.878302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.878302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.878302 (E_RNA)
where:
Base-Base interactions energy: -627.594
where: short stacking energy: -276.323
Base-Backbone interact. energy: -0.809
local terms energy: -284.474448
where:
bonds (distance) C4'-P energy: -47.625
bonds (distance) P-C4' energy: -48.845
flat angles C4'-P-C4' energy: -66.409
flat angles P-C4'-P energy: -42.873
tors. eta vs tors. theta energy: -78.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -904.218153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.218153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.218153 (E_RNA)
where:
Base-Base interactions energy: -632.578
where: short stacking energy: -273.346
Base-Backbone interact. energy: 2.365
local terms energy: -274.005304
where:
bonds (distance) C4'-P energy: -49.179
bonds (distance) P-C4' energy: -54.485
flat angles C4'-P-C4' energy: -54.754
flat angles P-C4'-P energy: -42.789
tors. eta vs tors. theta energy: -72.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -881.828277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.828277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.828277 (E_RNA)
where:
Base-Base interactions energy: -615.320
where: short stacking energy: -254.365
Base-Backbone interact. energy: -1.240
local terms energy: -265.268178
where:
bonds (distance) C4'-P energy: -53.771
bonds (distance) P-C4' energy: -50.497
flat angles C4'-P-C4' energy: -57.362
flat angles P-C4'-P energy: -31.223
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: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -797.535835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.535835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.535835 (E_RNA)
where:
Base-Base interactions energy: -559.722
where: short stacking energy: -244.639
Base-Backbone interact. energy: 1.656
local terms energy: -239.469882
where:
bonds (distance) C4'-P energy: -47.856
bonds (distance) P-C4' energy: -39.558
flat angles C4'-P-C4' energy: -52.585
flat angles P-C4'-P energy: -36.795
tors. eta vs tors. theta energy: -62.676
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: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -703.901238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.901238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.901238 (E_RNA)
where:
Base-Base interactions energy: -464.665
where: short stacking energy: -207.571
Base-Backbone interact. energy: 1.025
local terms energy: -240.261640
where:
bonds (distance) C4'-P energy: -38.955
bonds (distance) P-C4' energy: -56.733
flat angles C4'-P-C4' energy: -48.564
flat angles P-C4'-P energy: -30.416
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: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -773.984850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.984850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.984850 (E_RNA)
where:
Base-Base interactions energy: -531.849
where: short stacking energy: -242.919
Base-Backbone interact. energy: -0.480
local terms energy: -241.655615
where:
bonds (distance) C4'-P energy: -36.894
bonds (distance) P-C4' energy: -51.383
flat angles C4'-P-C4' energy: -53.088
flat angles P-C4'-P energy: -22.888
tors. eta vs tors. theta energy: -77.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -606.974128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.974128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.974128 (E_RNA)
where:
Base-Base interactions energy: -414.896
where: short stacking energy: -177.919
Base-Backbone interact. energy: 0.559
local terms energy: -192.637299
where:
bonds (distance) C4'-P energy: -48.754
bonds (distance) P-C4' energy: -39.784
flat angles C4'-P-C4' energy: -44.132
flat angles P-C4'-P energy: -24.923
tors. eta vs tors. theta energy: -35.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -563.548960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.548960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.548960 (E_RNA)
where:
Base-Base interactions energy: -376.189
where: short stacking energy: -168.609
Base-Backbone interact. energy: -0.044
local terms energy: -187.316289
where:
bonds (distance) C4'-P energy: -45.168
bonds (distance) P-C4' energy: -38.866
flat angles C4'-P-C4' energy: -37.750
flat angles P-C4'-P energy: -24.460
tors. eta vs tors. theta energy: -41.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -604.117536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.117536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.117536 (E_RNA)
where:
Base-Base interactions energy: -411.459
where: short stacking energy: -171.233
Base-Backbone interact. energy: -0.596
local terms energy: -192.062203
where:
bonds (distance) C4'-P energy: -46.697
bonds (distance) P-C4' energy: -39.547
flat angles C4'-P-C4' energy: -42.944
flat angles P-C4'-P energy: -27.984
tors. eta vs tors. theta energy: -34.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -985.329556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.329556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.329556 (E_RNA)
where:
Base-Base interactions energy: -682.885
where: short stacking energy: -300.660
Base-Backbone interact. energy: -0.640
local terms energy: -301.804290
where:
bonds (distance) C4'-P energy: -56.094
bonds (distance) P-C4' energy: -52.236
flat angles C4'-P-C4' energy: -65.802
flat angles P-C4'-P energy: -36.639
tors. eta vs tors. theta energy: -91.033
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: 186
Temperature: 0.950000
Total energy: -911.858898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.858898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.858898 (E_RNA)
where:
Base-Base interactions energy: -625.752
where: short stacking energy: -269.958
Base-Backbone interact. energy: -0.049
local terms energy: -286.058501
where:
bonds (distance) C4'-P energy: -50.060
bonds (distance) P-C4' energy: -54.478
flat angles C4'-P-C4' energy: -59.433
flat angles P-C4'-P energy: -40.713
tors. eta vs tors. theta energy: -81.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -904.887590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.887590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.887590 (E_RNA)
where:
Base-Base interactions energy: -637.055
where: short stacking energy: -272.386
Base-Backbone interact. energy: -1.051
local terms energy: -266.781351
where:
bonds (distance) C4'-P energy: -44.512
bonds (distance) P-C4' energy: -43.618
flat angles C4'-P-C4' energy: -59.684
flat angles P-C4'-P energy: -41.168
tors. eta vs tors. theta energy: -77.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -906.872970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.872970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.872970 (E_RNA)
where:
Base-Base interactions energy: -635.273
where: short stacking energy: -262.372
Base-Backbone interact. energy: 0.531
local terms energy: -272.131612
where:
bonds (distance) C4'-P energy: -47.502
bonds (distance) P-C4' energy: -44.707
flat angles C4'-P-C4' energy: -58.530
flat angles P-C4'-P energy: -43.055
tors. eta vs tors. theta energy: -78.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -789.166251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.166251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.166251 (E_RNA)
where:
Base-Base interactions energy: -547.767
where: short stacking energy: -237.442
Base-Backbone interact. energy: -1.124
local terms energy: -240.275016
where:
bonds (distance) C4'-P energy: -46.043
bonds (distance) P-C4' energy: -51.957
flat angles C4'-P-C4' energy: -47.943
flat angles P-C4'-P energy: -33.738
tors. eta vs tors. theta energy: -60.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -730.254641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.254641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.254641 (E_RNA)
where:
Base-Base interactions energy: -472.570
where: short stacking energy: -217.235
Base-Backbone interact. energy: -1.716
local terms energy: -255.969146
where:
bonds (distance) C4'-P energy: -50.528
bonds (distance) P-C4' energy: -47.387
flat angles C4'-P-C4' energy: -49.546
flat angles P-C4'-P energy: -38.915
tors. eta vs tors. theta energy: -69.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -752.753267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.753267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.753267 (E_RNA)
where:
Base-Base interactions energy: -520.041
where: short stacking energy: -234.757
Base-Backbone interact. energy: -0.932
local terms energy: -231.779709
where:
bonds (distance) C4'-P energy: -54.363
bonds (distance) P-C4' energy: -33.958
flat angles C4'-P-C4' energy: -43.249
flat angles P-C4'-P energy: -32.558
tors. eta vs tors. theta energy: -67.651
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: 186
Temperature: 1.250000
Total energy: -624.641499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.641499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.641499 (E_RNA)
where:
Base-Base interactions energy: -403.356
where: short stacking energy: -187.039
Base-Backbone interact. energy: 0.917
local terms energy: -222.201827
where:
bonds (distance) C4'-P energy: -46.871
bonds (distance) P-C4' energy: -42.062
flat angles C4'-P-C4' energy: -50.622
flat angles P-C4'-P energy: -35.959
tors. eta vs tors. theta energy: -46.688
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: 7
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -606.559468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.559468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.559468 (E_RNA)
where:
Base-Base interactions energy: -398.249
where: short stacking energy: -160.489
Base-Backbone interact. energy: -2.283
local terms energy: -206.027779
where:
bonds (distance) C4'-P energy: -40.369
bonds (distance) P-C4' energy: -46.739
flat angles C4'-P-C4' energy: -50.859
flat angles P-C4'-P energy: -31.144
tors. eta vs tors. theta energy: -36.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -504.315760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.315760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.315760 (E_RNA)
where:
Base-Base interactions energy: -327.172
where: short stacking energy: -153.522
Base-Backbone interact. energy: -1.534
local terms energy: -175.609835
where:
bonds (distance) C4'-P energy: -44.248
bonds (distance) P-C4' energy: -37.949
flat angles C4'-P-C4' energy: -39.760
flat angles P-C4'-P energy: -24.321
tors. eta vs tors. theta energy: -29.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -978.069667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.069667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.069667 (E_RNA)
where:
Base-Base interactions energy: -681.633
where: short stacking energy: -291.239
Base-Backbone interact. energy: -1.351
local terms energy: -295.085599
where:
bonds (distance) C4'-P energy: -51.183
bonds (distance) P-C4' energy: -54.654
flat angles C4'-P-C4' energy: -62.715
flat angles P-C4'-P energy: -39.469
tors. eta vs tors. theta energy: -87.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -919.124133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.124133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.124133 (E_RNA)
where:
Base-Base interactions energy: -630.385
where: short stacking energy: -261.393
Base-Backbone interact. energy: -1.374
local terms energy: -287.365379
where:
bonds (distance) C4'-P energy: -52.894
bonds (distance) P-C4' energy: -59.759
flat angles C4'-P-C4' energy: -63.363
flat angles P-C4'-P energy: -38.537
tors. eta vs tors. theta energy: -72.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -893.484577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.484577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.484577 (E_RNA)
where:
Base-Base interactions energy: -612.613
where: short stacking energy: -266.229
Base-Backbone interact. energy: -0.669
local terms energy: -280.202671
where:
bonds (distance) C4'-P energy: -46.559
bonds (distance) P-C4' energy: -55.840
flat angles C4'-P-C4' energy: -62.923
flat angles P-C4'-P energy: -40.659
tors. eta vs tors. theta energy: -74.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -891.614138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.614138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.614138 (E_RNA)
where:
Base-Base interactions energy: -630.665
where: short stacking energy: -271.167
Base-Backbone interact. energy: -0.897
local terms energy: -260.051794
where:
bonds (distance) C4'-P energy: -50.300
bonds (distance) P-C4' energy: -43.382
flat angles C4'-P-C4' energy: -50.031
flat angles P-C4'-P energy: -36.409
tors. eta vs tors. theta energy: -79.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -810.812305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.812305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.812305 (E_RNA)
where:
Base-Base interactions energy: -566.310
where: short stacking energy: -247.225
Base-Backbone interact. energy: -0.590
local terms energy: -243.912577
where:
bonds (distance) C4'-P energy: -41.799
bonds (distance) P-C4' energy: -49.731
flat angles C4'-P-C4' energy: -56.322
flat angles P-C4'-P energy: -30.954
tors. eta vs tors. theta energy: -65.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -795.377547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.377547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.377547 (E_RNA)
where:
Base-Base interactions energy: -564.397
where: short stacking energy: -240.263
Base-Backbone interact. energy: -0.790
local terms energy: -230.189825
where:
bonds (distance) C4'-P energy: -42.367
bonds (distance) P-C4' energy: -43.263
flat angles C4'-P-C4' energy: -47.182
flat angles P-C4'-P energy: -37.346
tors. eta vs tors. theta energy: -60.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -720.776584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.776584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.776584 (E_RNA)
where:
Base-Base interactions energy: -492.568
where: short stacking energy: -210.336
Base-Backbone interact. energy: -0.254
local terms energy: -227.955114
where:
bonds (distance) C4'-P energy: -45.276
bonds (distance) P-C4' energy: -50.008
flat angles C4'-P-C4' energy: -43.690
flat angles P-C4'-P energy: -27.820
tors. eta vs tors. theta energy: -61.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -637.660465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.660465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.660465 (E_RNA)
where:
Base-Base interactions energy: -425.366
where: short stacking energy: -175.888
Base-Backbone interact. energy: -0.732
local terms energy: -211.563104
where:
bonds (distance) C4'-P energy: -49.174
bonds (distance) P-C4' energy: -38.155
flat angles C4'-P-C4' energy: -48.429
flat angles P-C4'-P energy: -31.982
tors. eta vs tors. theta energy: -43.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -587.782793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.782793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.782793 (E_RNA)
where:
Base-Base interactions energy: -382.559
where: short stacking energy: -167.344
Base-Backbone interact. energy: 1.413
local terms energy: -206.635881
where:
bonds (distance) C4'-P energy: -42.531
bonds (distance) P-C4' energy: -50.394
flat angles C4'-P-C4' energy: -31.983
flat angles P-C4'-P energy: -33.350
tors. eta vs tors. theta energy: -48.378
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: 187
Temperature: 1.350000
Total energy: -502.601076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.601076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.601076 (E_RNA)
where:
Base-Base interactions energy: -324.499
where: short stacking energy: -141.277
Base-Backbone interact. energy: -1.337
local terms energy: -176.764519
where:
bonds (distance) C4'-P energy: -37.349
bonds (distance) P-C4' energy: -48.039
flat angles C4'-P-C4' energy: -37.195
flat angles P-C4'-P energy: -25.794
tors. eta vs tors. theta energy: -28.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -970.912936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.912936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.912936 (E_RNA)
where:
Base-Base interactions energy: -671.720
where: short stacking energy: -286.379
Base-Backbone interact. energy: -0.638
local terms energy: -298.554959
where:
bonds (distance) C4'-P energy: -52.442
bonds (distance) P-C4' energy: -54.942
flat angles C4'-P-C4' energy: -56.751
flat angles P-C4'-P energy: -44.524
tors. eta vs tors. theta energy: -89.896
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: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -919.286560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.286560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.286560 (E_RNA)
where:
Base-Base interactions energy: -638.705
where: short stacking energy: -264.671
Base-Backbone interact. energy: 0.252
local terms energy: -280.833371
where:
bonds (distance) C4'-P energy: -51.587
bonds (distance) P-C4' energy: -52.680
flat angles C4'-P-C4' energy: -57.484
flat angles P-C4'-P energy: -41.890
tors. eta vs tors. theta energy: -77.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -879.519729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.519729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.519729 (E_RNA)
where:
Base-Base interactions energy: -616.232
where: short stacking energy: -250.644
Base-Backbone interact. energy: -0.131
local terms energy: -263.156436
where:
bonds (distance) C4'-P energy: -46.580
bonds (distance) P-C4' energy: -47.435
flat angles C4'-P-C4' energy: -60.728
flat angles P-C4'-P energy: -31.087
tors. eta vs tors. theta energy: -77.327
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: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -870.937543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.937543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.937543 (E_RNA)
where:
Base-Base interactions energy: -611.626
where: short stacking energy: -255.239
Base-Backbone interact. energy: -0.750
local terms energy: -258.561434
where:
bonds (distance) C4'-P energy: -38.876
bonds (distance) P-C4' energy: -46.236
flat angles C4'-P-C4' energy: -63.301
flat angles P-C4'-P energy: -42.464
tors. eta vs tors. theta energy: -67.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -825.596556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.596556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.596556 (E_RNA)
where:
Base-Base interactions energy: -591.175
where: short stacking energy: -239.098
Base-Backbone interact. energy: -0.335
local terms energy: -234.086920
where:
bonds (distance) C4'-P energy: -42.172
bonds (distance) P-C4' energy: -45.325
flat angles C4'-P-C4' energy: -45.842
flat angles P-C4'-P energy: -40.249
tors. eta vs tors. theta energy: -60.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -785.374357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.374357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.374357 (E_RNA)
where:
Base-Base interactions energy: -552.924
where: short stacking energy: -239.432
Base-Backbone interact. energy: -0.256
local terms energy: -232.194181
where:
bonds (distance) C4'-P energy: -35.292
bonds (distance) P-C4' energy: -41.323
flat angles C4'-P-C4' energy: -55.242
flat angles P-C4'-P energy: -38.381
tors. eta vs tors. theta energy: -61.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -709.220957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.220957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.220957 (E_RNA)
where:
Base-Base interactions energy: -496.904
where: short stacking energy: -221.333
Base-Backbone interact. energy: -1.355
local terms energy: -210.961938
where:
bonds (distance) C4'-P energy: -36.866
bonds (distance) P-C4' energy: -46.482
flat angles C4'-P-C4' energy: -43.290
flat angles P-C4'-P energy: -32.572
tors. eta vs tors. theta energy: -51.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -661.986638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.986638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.986638 (E_RNA)
where:
Base-Base interactions energy: -445.047
where: short stacking energy: -196.159
Base-Backbone interact. energy: -0.919
local terms energy: -216.020644
where:
bonds (distance) C4'-P energy: -30.889
bonds (distance) P-C4' energy: -51.597
flat angles C4'-P-C4' energy: -46.390
flat angles P-C4'-P energy: -38.039
tors. eta vs tors. theta energy: -49.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -592.117921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.117921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.117921 (E_RNA)
where:
Base-Base interactions energy: -386.480
where: short stacking energy: -165.960
Base-Backbone interact. energy: -0.152
local terms energy: -205.486242
where:
bonds (distance) C4'-P energy: -47.893
bonds (distance) P-C4' energy: -41.447
flat angles C4'-P-C4' energy: -39.863
flat angles P-C4'-P energy: -37.899
tors. eta vs tors. theta energy: -38.384
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: 188
Temperature: 1.350000
Total energy: -417.608272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.608272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.608272 (E_RNA)
where:
Base-Base interactions energy: -247.134
where: short stacking energy: -115.696
Base-Backbone interact. energy: -1.438
local terms energy: -169.035920
where:
bonds (distance) C4'-P energy: -33.131
bonds (distance) P-C4' energy: -42.175
flat angles C4'-P-C4' energy: -36.216
flat angles P-C4'-P energy: -31.816
tors. eta vs tors. theta energy: -25.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -957.957041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.957041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.957041 (E_RNA)
where:
Base-Base interactions energy: -668.882
where: short stacking energy: -298.555
Base-Backbone interact. energy: -2.410
local terms energy: -286.665922
where:
bonds (distance) C4'-P energy: -45.953
bonds (distance) P-C4' energy: -48.601
flat angles C4'-P-C4' energy: -63.230
flat angles P-C4'-P energy: -39.746
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: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -929.845537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.845537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.845537 (E_RNA)
where:
Base-Base interactions energy: -640.774
where: short stacking energy: -278.320
Base-Backbone interact. energy: -1.200
local terms energy: -287.872080
where:
bonds (distance) C4'-P energy: -45.805
bonds (distance) P-C4' energy: -51.905
flat angles C4'-P-C4' energy: -60.138
flat angles P-C4'-P energy: -49.691
tors. eta vs tors. theta energy: -80.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -882.667852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.667852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.667852 (E_RNA)
where:
Base-Base interactions energy: -612.272
where: short stacking energy: -275.222
Base-Backbone interact. energy: -0.346
local terms energy: -270.049346
where:
bonds (distance) C4'-P energy: -44.098
bonds (distance) P-C4' energy: -48.285
flat angles C4'-P-C4' energy: -59.770
flat angles P-C4'-P energy: -41.645
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: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -887.497288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.497288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.497288 (E_RNA)
where:
Base-Base interactions energy: -634.890
where: short stacking energy: -262.914
Base-Backbone interact. energy: -1.565
local terms energy: -251.041844
where:
bonds (distance) C4'-P energy: -47.485
bonds (distance) P-C4' energy: -53.733
flat angles C4'-P-C4' energy: -53.485
flat angles P-C4'-P energy: -28.439
tors. eta vs tors. theta energy: -67.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -849.314542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.314542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.314542 (E_RNA)
where:
Base-Base interactions energy: -582.733
where: short stacking energy: -252.360
Base-Backbone interact. energy: -2.061
local terms energy: -264.520036
where:
bonds (distance) C4'-P energy: -45.041
bonds (distance) P-C4' energy: -47.740
flat angles C4'-P-C4' energy: -52.863
flat angles P-C4'-P energy: -41.579
tors. eta vs tors. theta energy: -77.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -756.995039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.995039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.995039 (E_RNA)
where:
Base-Base interactions energy: -516.090
where: short stacking energy: -213.353
Base-Backbone interact. energy: 0.130
local terms energy: -241.034946
where:
bonds (distance) C4'-P energy: -53.716
bonds (distance) P-C4' energy: -46.502
flat angles C4'-P-C4' energy: -48.029
flat angles P-C4'-P energy: -36.815
tors. eta vs tors. theta energy: -55.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -722.729409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.729409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.729409 (E_RNA)
where:
Base-Base interactions energy: -493.057
where: short stacking energy: -214.273
Base-Backbone interact. energy: 0.157
local terms energy: -229.828888
where:
bonds (distance) C4'-P energy: -44.825
bonds (distance) P-C4' energy: -53.091
flat angles C4'-P-C4' energy: -31.455
flat angles P-C4'-P energy: -36.794
tors. eta vs tors. theta energy: -63.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -644.222913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.222913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.222913 (E_RNA)
where:
Base-Base interactions energy: -453.541
where: short stacking energy: -194.944
Base-Backbone interact. energy: -0.817
local terms energy: -189.864836
where:
bonds (distance) C4'-P energy: -39.503
bonds (distance) P-C4' energy: -40.301
flat angles C4'-P-C4' energy: -50.537
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: -41.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -576.759532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.759532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.759532 (E_RNA)
where:
Base-Base interactions energy: -370.246
where: short stacking energy: -167.851
Base-Backbone interact. energy: -0.380
local terms energy: -206.133353
where:
bonds (distance) C4'-P energy: -46.100
bonds (distance) P-C4' energy: -44.400
flat angles C4'-P-C4' energy: -44.327
flat angles P-C4'-P energy: -29.519
tors. eta vs tors. theta energy: -41.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -449.481335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.481335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.481335 (E_RNA)
where:
Base-Base interactions energy: -275.022
where: short stacking energy: -130.829
Base-Backbone interact. energy: -0.741
local terms energy: -173.718568
where:
bonds (distance) C4'-P energy: -41.802
bonds (distance) P-C4' energy: -41.181
flat angles C4'-P-C4' energy: -47.661
flat angles P-C4'-P energy: -24.196
tors. eta vs tors. theta energy: -18.879
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: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -956.624929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.624929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.624929 (E_RNA)
where:
Base-Base interactions energy: -661.619
where: short stacking energy: -273.418
Base-Backbone interact. energy: -0.782
local terms energy: -294.223617
where:
bonds (distance) C4'-P energy: -51.064
bonds (distance) P-C4' energy: -55.743
flat angles C4'-P-C4' energy: -61.334
flat angles P-C4'-P energy: -39.410
tors. eta vs tors. theta energy: -86.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -919.503772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.503772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.503772 (E_RNA)
where:
Base-Base interactions energy: -638.515
where: short stacking energy: -265.214
Base-Backbone interact. energy: 0.046
local terms energy: -281.034821
where:
bonds (distance) C4'-P energy: -49.619
bonds (distance) P-C4' energy: -52.976
flat angles C4'-P-C4' energy: -60.718
flat angles P-C4'-P energy: -41.428
tors. eta vs tors. theta energy: -76.295
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: 4
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -928.822870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.822870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.822870 (E_RNA)
where:
Base-Base interactions energy: -665.996
where: short stacking energy: -264.048
Base-Backbone interact. energy: -1.356
local terms energy: -261.470349
where:
bonds (distance) C4'-P energy: -48.272
bonds (distance) P-C4' energy: -50.795
flat angles C4'-P-C4' energy: -57.317
flat angles P-C4'-P energy: -31.979
tors. eta vs tors. theta energy: -73.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -846.818191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.818191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.818191 (E_RNA)
where:
Base-Base interactions energy: -576.844
where: short stacking energy: -255.360
Base-Backbone interact. energy: -2.072
local terms energy: -267.902156
where:
bonds (distance) C4'-P energy: -41.030
bonds (distance) P-C4' energy: -48.112
flat angles C4'-P-C4' energy: -53.840
flat angles P-C4'-P energy: -45.881
tors. eta vs tors. theta energy: -79.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -835.002402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.002402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.002402 (E_RNA)
where:
Base-Base interactions energy: -567.809
where: short stacking energy: -255.706
Base-Backbone interact. energy: -1.628
local terms energy: -265.566069
where:
bonds (distance) C4'-P energy: -46.412
bonds (distance) P-C4' energy: -43.010
flat angles C4'-P-C4' energy: -59.754
flat angles P-C4'-P energy: -40.444
tors. eta vs tors. theta energy: -75.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -746.492821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.492821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.492821 (E_RNA)
where:
Base-Base interactions energy: -515.461
where: short stacking energy: -207.275
Base-Backbone interact. energy: 0.390
local terms energy: -231.421239
where:
bonds (distance) C4'-P energy: -47.418
bonds (distance) P-C4' energy: -49.096
flat angles C4'-P-C4' energy: -47.475
flat angles P-C4'-P energy: -36.900
tors. eta vs tors. theta energy: -50.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -764.373188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.373188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.373188 (E_RNA)
where:
Base-Base interactions energy: -530.060
where: short stacking energy: -210.066
Base-Backbone interact. energy: -1.201
local terms energy: -233.112008
where:
bonds (distance) C4'-P energy: -43.005
bonds (distance) P-C4' energy: -46.684
flat angles C4'-P-C4' energy: -50.295
flat angles P-C4'-P energy: -33.224
tors. eta vs tors. theta energy: -59.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -696.638063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.638063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.638063 (E_RNA)
where:
Base-Base interactions energy: -477.726
where: short stacking energy: -196.506
Base-Backbone interact. energy: 0.475
local terms energy: -219.386505
where:
bonds (distance) C4'-P energy: -37.830
bonds (distance) P-C4' energy: -46.432
flat angles C4'-P-C4' energy: -52.444
flat angles P-C4'-P energy: -30.302
tors. eta vs tors. theta energy: -52.378
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: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -591.338919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.338919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.338919 (E_RNA)
where:
Base-Base interactions energy: -393.199
where: short stacking energy: -169.240
Base-Backbone interact. energy: -0.378
local terms energy: -197.761268
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -46.320
flat angles C4'-P-C4' energy: -39.165
flat angles P-C4'-P energy: -41.224
tors. eta vs tors. theta energy: -38.526
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: 190
Temperature: 1.350000
Total energy: -404.331681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.331681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.331681 (E_RNA)
where:
Base-Base interactions energy: -241.715
where: short stacking energy: -111.641
Base-Backbone interact. energy: -0.190
local terms energy: -162.426057
where:
bonds (distance) C4'-P energy: -36.689
bonds (distance) P-C4' energy: -42.945
flat angles C4'-P-C4' energy: -38.242
flat angles P-C4'-P energy: -30.543
tors. eta vs tors. theta energy: -14.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -986.007916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.007916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.007916 (E_RNA)
where:
Base-Base interactions energy: -690.750
where: short stacking energy: -302.201
Base-Backbone interact. energy: 0.082
local terms energy: -295.340465
where:
bonds (distance) C4'-P energy: -49.191
bonds (distance) P-C4' energy: -52.233
flat angles C4'-P-C4' energy: -65.254
flat angles P-C4'-P energy: -42.630
tors. eta vs tors. theta energy: -86.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -925.008430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.008430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.008430 (E_RNA)
where:
Base-Base interactions energy: -640.615
where: short stacking energy: -260.343
Base-Backbone interact. energy: -1.460
local terms energy: -282.933690
where:
bonds (distance) C4'-P energy: -40.588
bonds (distance) P-C4' energy: -60.336
flat angles C4'-P-C4' energy: -57.624
flat angles P-C4'-P energy: -46.608
tors. eta vs tors. theta energy: -77.778
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: 5
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -901.308456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.308456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.308456 (E_RNA)
where:
Base-Base interactions energy: -627.407
where: short stacking energy: -263.661
Base-Backbone interact. energy: 2.352
local terms energy: -276.253454
where:
bonds (distance) C4'-P energy: -47.073
bonds (distance) P-C4' energy: -47.268
flat angles C4'-P-C4' energy: -57.561
flat angles P-C4'-P energy: -46.030
tors. eta vs tors. theta energy: -78.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -840.847240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.847240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.847240 (E_RNA)
where:
Base-Base interactions energy: -575.178
where: short stacking energy: -251.316
Base-Backbone interact. energy: -0.253
local terms energy: -265.416679
where:
bonds (distance) C4'-P energy: -43.475
bonds (distance) P-C4' energy: -56.515
flat angles C4'-P-C4' energy: -55.057
flat angles P-C4'-P energy: -35.644
tors. eta vs tors. theta energy: -74.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -822.637981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.637981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.637981 (E_RNA)
where:
Base-Base interactions energy: -567.708
where: short stacking energy: -259.255
Base-Backbone interact. energy: 2.379
local terms energy: -257.308535
where:
bonds (distance) C4'-P energy: -46.722
bonds (distance) P-C4' energy: -48.054
flat angles C4'-P-C4' energy: -57.392
flat angles P-C4'-P energy: -32.144
tors. eta vs tors. theta energy: -72.996
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: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -787.952127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.952127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.952127 (E_RNA)
where:
Base-Base interactions energy: -545.554
where: short stacking energy: -234.069
Base-Backbone interact. energy: -0.419
local terms energy: -241.979067
where:
bonds (distance) C4'-P energy: -50.086
bonds (distance) P-C4' energy: -43.819
flat angles C4'-P-C4' energy: -49.652
flat angles P-C4'-P energy: -35.499
tors. eta vs tors. theta energy: -62.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -739.094422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.094422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.094422 (E_RNA)
where:
Base-Base interactions energy: -504.467
where: short stacking energy: -221.627
Base-Backbone interact. energy: 3.270
local terms energy: -237.897131
where:
bonds (distance) C4'-P energy: -43.463
bonds (distance) P-C4' energy: -50.910
flat angles C4'-P-C4' energy: -55.305
flat angles P-C4'-P energy: -35.622
tors. eta vs tors. theta energy: -52.598
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: 191
Temperature: 1.250000
Total energy: -715.975266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.975266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.975266 (E_RNA)
where:
Base-Base interactions energy: -493.413
where: short stacking energy: -198.460
Base-Backbone interact. energy: -1.700
local terms energy: -220.862800
where:
bonds (distance) C4'-P energy: -40.791
bonds (distance) P-C4' energy: -42.082
flat angles C4'-P-C4' energy: -52.640
flat angles P-C4'-P energy: -32.911
tors. eta vs tors. theta energy: -52.440
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: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -604.775931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.775931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.775931 (E_RNA)
where:
Base-Base interactions energy: -375.365
where: short stacking energy: -168.109
Base-Backbone interact. energy: -0.193
local terms energy: -229.218330
where:
bonds (distance) C4'-P energy: -48.283
bonds (distance) P-C4' energy: -50.413
flat angles C4'-P-C4' energy: -47.909
flat angles P-C4'-P energy: -35.903
tors. eta vs tors. theta energy: -46.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -405.589109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.589109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.589109 (E_RNA)
where:
Base-Base interactions energy: -229.251
where: short stacking energy: -110.093
Base-Backbone interact. energy: -0.875
local terms energy: -175.462563
where:
bonds (distance) C4'-P energy: -42.209
bonds (distance) P-C4' energy: -47.459
flat angles C4'-P-C4' energy: -53.552
flat angles P-C4'-P energy: -23.867
tors. eta vs tors. theta energy: -8.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -977.675905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.675905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.675905 (E_RNA)
where:
Base-Base interactions energy: -661.374
where: short stacking energy: -284.119
Base-Backbone interact. energy: 1.973
local terms energy: -318.274793
where:
bonds (distance) C4'-P energy: -55.964
bonds (distance) P-C4' energy: -59.495
flat angles C4'-P-C4' energy: -65.113
flat angles P-C4'-P energy: -48.743
tors. eta vs tors. theta energy: -88.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -934.738254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.738254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.738254 (E_RNA)
where:
Base-Base interactions energy: -668.896
where: short stacking energy: -282.246
Base-Backbone interact. energy: -0.403
local terms energy: -265.439277
where:
bonds (distance) C4'-P energy: -43.337
bonds (distance) P-C4' energy: -47.775
flat angles C4'-P-C4' energy: -57.647
flat angles P-C4'-P energy: -39.914
tors. eta vs tors. theta energy: -76.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -892.127199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.127199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.127199 (E_RNA)
where:
Base-Base interactions energy: -621.657
where: short stacking energy: -253.518
Base-Backbone interact. energy: -1.731
local terms energy: -268.739177
where:
bonds (distance) C4'-P energy: -39.472
bonds (distance) P-C4' energy: -53.656
flat angles C4'-P-C4' energy: -59.446
flat angles P-C4'-P energy: -35.837
tors. eta vs tors. theta energy: -80.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -839.514761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.514761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.514761 (E_RNA)
where:
Base-Base interactions energy: -566.676
where: short stacking energy: -258.321
Base-Backbone interact. energy: 0.621
local terms energy: -273.459743
where:
bonds (distance) C4'-P energy: -52.250
bonds (distance) P-C4' energy: -53.788
flat angles C4'-P-C4' energy: -55.546
flat angles P-C4'-P energy: -35.377
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: 6
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -842.604277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.604277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.604277 (E_RNA)
where:
Base-Base interactions energy: -570.949
where: short stacking energy: -239.017
Base-Backbone interact. energy: -0.186
local terms energy: -271.468794
where:
bonds (distance) C4'-P energy: -52.827
bonds (distance) P-C4' energy: -50.613
flat angles C4'-P-C4' energy: -54.686
flat angles P-C4'-P energy: -39.143
tors. eta vs tors. theta energy: -74.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -804.376328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.376328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.376328 (E_RNA)
where:
Base-Base interactions energy: -539.789
where: short stacking energy: -230.036
Base-Backbone interact. energy: -0.506
local terms energy: -264.081768
where:
bonds (distance) C4'-P energy: -49.142
bonds (distance) P-C4' energy: -54.010
flat angles C4'-P-C4' energy: -54.591
flat angles P-C4'-P energy: -38.490
tors. eta vs tors. theta energy: -67.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -787.478606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.478606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.478606 (E_RNA)
where:
Base-Base interactions energy: -548.008
where: short stacking energy: -233.964
Base-Backbone interact. energy: -1.113
local terms energy: -238.358131
where:
bonds (distance) C4'-P energy: -36.968
bonds (distance) P-C4' energy: -46.737
flat angles C4'-P-C4' energy: -51.786
flat angles P-C4'-P energy: -40.162
tors. eta vs tors. theta energy: -62.706
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: 2
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -730.751713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.751713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.751713 (E_RNA)
where:
Base-Base interactions energy: -499.887
where: short stacking energy: -210.640
Base-Backbone interact. energy: -1.122
local terms energy: -229.742373
where:
bonds (distance) C4'-P energy: -43.098
bonds (distance) P-C4' energy: -44.627
flat angles C4'-P-C4' energy: -55.174
flat angles P-C4'-P energy: -30.436
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: 9, replica: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -595.736097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.736097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.736097 (E_RNA)
where:
Base-Base interactions energy: -396.404
where: short stacking energy: -181.606
Base-Backbone interact. energy: 0.741
local terms energy: -200.073872
where:
bonds (distance) C4'-P energy: -45.787
bonds (distance) P-C4' energy: -48.024
flat angles C4'-P-C4' energy: -40.822
flat angles P-C4'-P energy: -22.949
tors. eta vs tors. theta energy: -42.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -396.906787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.906787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.906787 (E_RNA)
where:
Base-Base interactions energy: -236.091
where: short stacking energy: -108.982
Base-Backbone interact. energy: 2.033
local terms energy: -162.848716
where:
bonds (distance) C4'-P energy: -44.283
bonds (distance) P-C4' energy: -36.683
flat angles C4'-P-C4' energy: -49.580
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -976.994735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.994735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.994735 (E_RNA)
where:
Base-Base interactions energy: -679.500
where: short stacking energy: -297.767
Base-Backbone interact. energy: -1.119
local terms energy: -296.376225
where:
bonds (distance) C4'-P energy: -52.970
bonds (distance) P-C4' energy: -50.074
flat angles C4'-P-C4' energy: -64.084
flat angles P-C4'-P energy: -40.060
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: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -932.903586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.903586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.903586 (E_RNA)
where:
Base-Base interactions energy: -653.970
where: short stacking energy: -280.921
Base-Backbone interact. energy: -0.747
local terms energy: -278.186404
where:
bonds (distance) C4'-P energy: -52.264
bonds (distance) P-C4' energy: -46.734
flat angles C4'-P-C4' energy: -59.414
flat angles P-C4'-P energy: -39.317
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: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -894.616269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.616269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.616269 (E_RNA)
where:
Base-Base interactions energy: -611.632
where: short stacking energy: -261.509
Base-Backbone interact. energy: 0.446
local terms energy: -283.429891
where:
bonds (distance) C4'-P energy: -49.268
bonds (distance) P-C4' energy: -53.056
flat angles C4'-P-C4' energy: -58.790
flat angles P-C4'-P energy: -41.152
tors. eta vs tors. theta energy: -81.164
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: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -857.609885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.609885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.609885 (E_RNA)
where:
Base-Base interactions energy: -587.846
where: short stacking energy: -262.023
Base-Backbone interact. energy: 0.520
local terms energy: -270.284609
where:
bonds (distance) C4'-P energy: -55.994
bonds (distance) P-C4' energy: -46.711
flat angles C4'-P-C4' energy: -55.873
flat angles P-C4'-P energy: -34.009
tors. eta vs tors. theta energy: -77.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -837.065300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.065300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.065300 (E_RNA)
where:
Base-Base interactions energy: -573.614
where: short stacking energy: -244.720
Base-Backbone interact. energy: -0.248
local terms energy: -263.202644
where:
bonds (distance) C4'-P energy: -51.917
bonds (distance) P-C4' energy: -50.437
flat angles C4'-P-C4' energy: -57.038
flat angles P-C4'-P energy: -31.092
tors. eta vs tors. theta energy: -72.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -786.913487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.913487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.913487 (E_RNA)
where:
Base-Base interactions energy: -555.873
where: short stacking energy: -227.907
Base-Backbone interact. energy: -0.434
local terms energy: -230.605996
where:
bonds (distance) C4'-P energy: -46.285
bonds (distance) P-C4' energy: -47.447
flat angles C4'-P-C4' energy: -44.335
flat angles P-C4'-P energy: -32.380
tors. eta vs tors. theta energy: -60.158
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: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -763.542766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.542766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.542766 (E_RNA)
where:
Base-Base interactions energy: -528.361
where: short stacking energy: -229.487
Base-Backbone interact. energy: -0.672
local terms energy: -234.509374
where:
bonds (distance) C4'-P energy: -48.814
bonds (distance) P-C4' energy: -47.403
flat angles C4'-P-C4' energy: -49.622
flat angles P-C4'-P energy: -31.176
tors. eta vs tors. theta energy: -57.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -731.229258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.229258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.229258 (E_RNA)
where:
Base-Base interactions energy: -503.229
where: short stacking energy: -213.367
Base-Backbone interact. energy: -0.564
local terms energy: -227.435932
where:
bonds (distance) C4'-P energy: -36.314
bonds (distance) P-C4' energy: -47.535
flat angles C4'-P-C4' energy: -54.318
flat angles P-C4'-P energy: -37.242
tors. eta vs tors. theta energy: -52.027
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: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -616.148813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.148813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.148813 (E_RNA)
where:
Base-Base interactions energy: -402.662
where: short stacking energy: -174.826
Base-Backbone interact. energy: -0.050
local terms energy: -213.436049
where:
bonds (distance) C4'-P energy: -40.945
bonds (distance) P-C4' energy: -37.008
flat angles C4'-P-C4' energy: -41.335
flat angles P-C4'-P energy: -41.101
tors. eta vs tors. theta energy: -53.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -397.471613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.471613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.471613 (E_RNA)
where:
Base-Base interactions energy: -255.511
where: short stacking energy: -101.301
Base-Backbone interact. energy: -0.823
local terms energy: -141.137750
where:
bonds (distance) C4'-P energy: -40.035
bonds (distance) P-C4' energy: -43.297
flat angles C4'-P-C4' energy: -31.915
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -9.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -998.104208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.104208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.104208 (E_RNA)
where:
Base-Base interactions energy: -694.693
where: short stacking energy: -302.152
Base-Backbone interact. energy: -2.332
local terms energy: -301.079113
where:
bonds (distance) C4'-P energy: -50.095
bonds (distance) P-C4' energy: -58.840
flat angles C4'-P-C4' energy: -64.907
flat angles P-C4'-P energy: -37.672
tors. eta vs tors. theta energy: -89.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -945.127990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.127990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.127990 (E_RNA)
where:
Base-Base interactions energy: -656.979
where: short stacking energy: -269.987
Base-Backbone interact. energy: 2.140
local terms energy: -290.288916
where:
bonds (distance) C4'-P energy: -55.808
bonds (distance) P-C4' energy: -57.792
flat angles C4'-P-C4' energy: -67.387
flat angles P-C4'-P energy: -37.303
tors. eta vs tors. theta energy: -71.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -890.097524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.097524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.097524 (E_RNA)
where:
Base-Base interactions energy: -613.893
where: short stacking energy: -254.121
Base-Backbone interact. energy: -0.522
local terms energy: -275.682681
where:
bonds (distance) C4'-P energy: -57.881
bonds (distance) P-C4' energy: -47.250
flat angles C4'-P-C4' energy: -51.181
flat angles P-C4'-P energy: -43.474
tors. eta vs tors. theta energy: -75.896
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: 4, replica: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -844.643179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.643179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.643179 (E_RNA)
where:
Base-Base interactions energy: -573.711
where: short stacking energy: -260.138
Base-Backbone interact. energy: -0.284
local terms energy: -270.648594
where:
bonds (distance) C4'-P energy: -49.856
bonds (distance) P-C4' energy: -42.854
flat angles C4'-P-C4' energy: -58.874
flat angles P-C4'-P energy: -42.947
tors. eta vs tors. theta energy: -76.118
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: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -806.618597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.618597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.618597 (E_RNA)
where:
Base-Base interactions energy: -561.557
where: short stacking energy: -235.477
Base-Backbone interact. energy: 2.288
local terms energy: -247.349987
where:
bonds (distance) C4'-P energy: -48.719
bonds (distance) P-C4' energy: -44.628
flat angles C4'-P-C4' energy: -53.488
flat angles P-C4'-P energy: -35.560
tors. eta vs tors. theta energy: -64.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -790.558873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.558873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.558873 (E_RNA)
where:
Base-Base interactions energy: -517.097
where: short stacking energy: -234.220
Base-Backbone interact. energy: -0.172
local terms energy: -273.289201
where:
bonds (distance) C4'-P energy: -57.042
bonds (distance) P-C4' energy: -43.580
flat angles C4'-P-C4' energy: -57.539
flat angles P-C4'-P energy: -42.161
tors. eta vs tors. theta energy: -72.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -757.112689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.112689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.112689 (E_RNA)
where:
Base-Base interactions energy: -503.349
where: short stacking energy: -197.907
Base-Backbone interact. energy: -0.914
local terms energy: -252.849755
where:
bonds (distance) C4'-P energy: -52.585
bonds (distance) P-C4' energy: -51.796
flat angles C4'-P-C4' energy: -53.528
flat angles P-C4'-P energy: -38.659
tors. eta vs tors. theta energy: -56.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -718.791800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.791800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.791800 (E_RNA)
where:
Base-Base interactions energy: -488.795
where: short stacking energy: -201.155
Base-Backbone interact. energy: -0.868
local terms energy: -229.128837
where:
bonds (distance) C4'-P energy: -40.856
bonds (distance) P-C4' energy: -40.949
flat angles C4'-P-C4' energy: -52.721
flat angles P-C4'-P energy: -38.478
tors. eta vs tors. theta energy: -56.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -594.129031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.129031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.129031 (E_RNA)
where:
Base-Base interactions energy: -363.546
where: short stacking energy: -160.672
Base-Backbone interact. energy: 0.464
local terms energy: -231.047698
where:
bonds (distance) C4'-P energy: -38.536
bonds (distance) P-C4' energy: -52.922
flat angles C4'-P-C4' energy: -57.731
flat angles P-C4'-P energy: -38.901
tors. eta vs tors. theta energy: -42.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -401.668222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.668222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.668222 (E_RNA)
where:
Base-Base interactions energy: -236.289
where: short stacking energy: -106.394
Base-Backbone interact. energy: -0.680
local terms energy: -164.699511
where:
bonds (distance) C4'-P energy: -47.529
bonds (distance) P-C4' energy: -40.268
flat angles C4'-P-C4' energy: -48.371
flat angles P-C4'-P energy: -23.260
tors. eta vs tors. theta energy: -5.270
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: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -990.983120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.983120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.983120 (E_RNA)
where:
Base-Base interactions energy: -685.428
where: short stacking energy: -295.978
Base-Backbone interact. energy: -1.267
local terms energy: -304.288107
where:
bonds (distance) C4'-P energy: -50.416
bonds (distance) P-C4' energy: -51.688
flat angles C4'-P-C4' energy: -63.972
flat angles P-C4'-P energy: -47.308
tors. eta vs tors. theta energy: -90.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -933.443820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.443820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.443820 (E_RNA)
where:
Base-Base interactions energy: -657.500
where: short stacking energy: -267.046
Base-Backbone interact. energy: -2.499
local terms energy: -273.444873
where:
bonds (distance) C4'-P energy: -55.974
bonds (distance) P-C4' energy: -48.144
flat angles C4'-P-C4' energy: -49.733
flat angles P-C4'-P energy: -45.120
tors. eta vs tors. theta energy: -74.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -900.065725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.065725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.065725 (E_RNA)
where:
Base-Base interactions energy: -617.293
where: short stacking energy: -256.125
Base-Backbone interact. energy: -0.419
local terms energy: -282.353779
where:
bonds (distance) C4'-P energy: -47.591
bonds (distance) P-C4' energy: -52.241
flat angles C4'-P-C4' energy: -58.155
flat angles P-C4'-P energy: -43.696
tors. eta vs tors. theta energy: -80.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -846.319322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.319322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.319322 (E_RNA)
where:
Base-Base interactions energy: -577.930
where: short stacking energy: -242.655
Base-Backbone interact. energy: -1.713
local terms energy: -266.676595
where:
bonds (distance) C4'-P energy: -50.755
bonds (distance) P-C4' energy: -45.694
flat angles C4'-P-C4' energy: -64.930
flat angles P-C4'-P energy: -35.663
tors. eta vs tors. theta energy: -69.633
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: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -844.486310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.486310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.486310 (E_RNA)
where:
Base-Base interactions energy: -577.137
where: short stacking energy: -254.514
Base-Backbone interact. energy: 0.742
local terms energy: -268.091063
where:
bonds (distance) C4'-P energy: -58.683
bonds (distance) P-C4' energy: -49.930
flat angles C4'-P-C4' energy: -53.433
flat angles P-C4'-P energy: -38.419
tors. eta vs tors. theta energy: -67.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -775.044875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.044875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.044875 (E_RNA)
where:
Base-Base interactions energy: -558.390
where: short stacking energy: -225.801
Base-Backbone interact. energy: -0.020
local terms energy: -216.634450
where:
bonds (distance) C4'-P energy: -33.467
bonds (distance) P-C4' energy: -40.736
flat angles C4'-P-C4' energy: -54.273
flat angles P-C4'-P energy: -28.317
tors. eta vs tors. theta energy: -59.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -737.256090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.256090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.256090 (E_RNA)
where:
Base-Base interactions energy: -499.117
where: short stacking energy: -204.960
Base-Backbone interact. energy: -1.025
local terms energy: -237.113790
where:
bonds (distance) C4'-P energy: -45.716
bonds (distance) P-C4' energy: -48.982
flat angles C4'-P-C4' energy: -56.483
flat angles P-C4'-P energy: -30.073
tors. eta vs tors. theta energy: -55.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -749.741567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.741567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.741567 (E_RNA)
where:
Base-Base interactions energy: -515.842
where: short stacking energy: -214.151
Base-Backbone interact. energy: -0.079
local terms energy: -233.821152
where:
bonds (distance) C4'-P energy: -40.386
bonds (distance) P-C4' energy: -55.905
flat angles C4'-P-C4' energy: -41.842
flat angles P-C4'-P energy: -29.908
tors. eta vs tors. theta energy: -65.780
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: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -574.224034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.224034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.224034 (E_RNA)
where:
Base-Base interactions energy: -383.126
where: short stacking energy: -163.951
Base-Backbone interact. energy: 1.308
local terms energy: -192.406642
where:
bonds (distance) C4'-P energy: -41.126
bonds (distance) P-C4' energy: -38.587
flat angles C4'-P-C4' energy: -42.403
flat angles P-C4'-P energy: -22.262
tors. eta vs tors. theta energy: -48.028
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: 195
Temperature: 1.350000
Total energy: -434.018539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.018539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.018539 (E_RNA)
where:
Base-Base interactions energy: -254.452
where: short stacking energy: -131.050
Base-Backbone interact. energy: 1.229
local terms energy: -180.795542
where:
bonds (distance) C4'-P energy: -35.291
bonds (distance) P-C4' energy: -39.960
flat angles C4'-P-C4' energy: -50.719
flat angles P-C4'-P energy: -35.229
tors. eta vs tors. theta energy: -19.597
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: 1, replica: 9
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -976.885360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.885360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.885360 (E_RNA)
where:
Base-Base interactions energy: -669.432
where: short stacking energy: -294.275
Base-Backbone interact. energy: -0.803
local terms energy: -306.650565
where:
bonds (distance) C4'-P energy: -51.578
bonds (distance) P-C4' energy: -56.668
flat angles C4'-P-C4' energy: -66.583
flat angles P-C4'-P energy: -42.843
tors. eta vs tors. theta energy: -88.977
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: 4
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -940.350525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.350525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.350525 (E_RNA)
where:
Base-Base interactions energy: -663.001
where: short stacking energy: -269.485
Base-Backbone interact. energy: -0.617
local terms energy: -276.733304
where:
bonds (distance) C4'-P energy: -53.594
bonds (distance) P-C4' energy: -51.046
flat angles C4'-P-C4' energy: -58.452
flat angles P-C4'-P energy: -39.686
tors. eta vs tors. theta energy: -73.955
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: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -917.188340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.188340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.188340 (E_RNA)
where:
Base-Base interactions energy: -632.123
where: short stacking energy: -264.056
Base-Backbone interact. energy: -0.021
local terms energy: -285.045168
where:
bonds (distance) C4'-P energy: -47.542
bonds (distance) P-C4' energy: -58.893
flat angles C4'-P-C4' energy: -58.357
flat angles P-C4'-P energy: -44.690
tors. eta vs tors. theta energy: -75.563
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: 7
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -853.993283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.993283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.993283 (E_RNA)
where:
Base-Base interactions energy: -583.549
where: short stacking energy: -248.021
Base-Backbone interact. energy: -0.466
local terms energy: -269.977608
where:
bonds (distance) C4'-P energy: -44.811
bonds (distance) P-C4' energy: -53.847
flat angles C4'-P-C4' energy: -57.077
flat angles P-C4'-P energy: -44.400
tors. eta vs tors. theta energy: -69.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -834.919197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.919197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.919197 (E_RNA)
where:
Base-Base interactions energy: -565.233
where: short stacking energy: -243.171
Base-Backbone interact. energy: -0.292
local terms energy: -269.393932
where:
bonds (distance) C4'-P energy: -51.546
bonds (distance) P-C4' energy: -50.776
flat angles C4'-P-C4' energy: -55.100
flat angles P-C4'-P energy: -41.292
tors. eta vs tors. theta energy: -70.680
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: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -733.206161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.206161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.206161 (E_RNA)
where:
Base-Base interactions energy: -496.971
where: short stacking energy: -199.164
Base-Backbone interact. energy: -1.024
local terms energy: -235.211689
where:
bonds (distance) C4'-P energy: -52.517
bonds (distance) P-C4' energy: -50.973
flat angles C4'-P-C4' energy: -42.853
flat angles P-C4'-P energy: -31.630
tors. eta vs tors. theta energy: -57.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -749.193338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.193338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.193338 (E_RNA)
where:
Base-Base interactions energy: -528.368
where: short stacking energy: -207.802
Base-Backbone interact. energy: -0.666
local terms energy: -220.158975
where:
bonds (distance) C4'-P energy: -41.049
bonds (distance) P-C4' energy: -37.907
flat angles C4'-P-C4' energy: -53.483
flat angles P-C4'-P energy: -34.123
tors. eta vs tors. theta energy: -53.597
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: 3
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -750.681535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.681535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.681535 (E_RNA)
where:
Base-Base interactions energy: -537.219
where: short stacking energy: -222.896
Base-Backbone interact. energy: -0.575
local terms energy: -212.887339
where:
bonds (distance) C4'-P energy: -30.237
bonds (distance) P-C4' energy: -44.836
flat angles C4'-P-C4' energy: -56.114
flat angles P-C4'-P energy: -27.755
tors. eta vs tors. theta energy: -53.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -553.366635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.366635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.366635 (E_RNA)
where:
Base-Base interactions energy: -348.185
where: short stacking energy: -146.112
Base-Backbone interact. energy: -0.690
local terms energy: -204.492144
where:
bonds (distance) C4'-P energy: -40.752
bonds (distance) P-C4' energy: -44.413
flat angles C4'-P-C4' energy: -41.581
flat angles P-C4'-P energy: -40.251
tors. eta vs tors. theta energy: -37.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -405.185758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.185758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.185758 (E_RNA)
where:
Base-Base interactions energy: -237.692
where: short stacking energy: -129.018
Base-Backbone interact. energy: -1.069
local terms energy: -166.424706
where:
bonds (distance) C4'-P energy: -42.086
bonds (distance) P-C4' energy: -44.686
flat angles C4'-P-C4' energy: -41.139
flat angles P-C4'-P energy: -27.658
tors. eta vs tors. theta energy: -10.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -981.416026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.416026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.416026 (E_RNA)
where:
Base-Base interactions energy: -678.040
where: short stacking energy: -302.198
Base-Backbone interact. energy: 0.188
local terms energy: -303.564033
where:
bonds (distance) C4'-P energy: -46.050
bonds (distance) P-C4' energy: -58.699
flat angles C4'-P-C4' energy: -61.337
flat angles P-C4'-P energy: -44.154
tors. eta vs tors. theta energy: -93.325
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: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -958.868393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.868393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.868393 (E_RNA)
where:
Base-Base interactions energy: -673.872
where: short stacking energy: -280.184
Base-Backbone interact. energy: -1.635
local terms energy: -283.361105
where:
bonds (distance) C4'-P energy: -49.669
bonds (distance) P-C4' energy: -50.738
flat angles C4'-P-C4' energy: -56.921
flat angles P-C4'-P energy: -43.405
tors. eta vs tors. theta energy: -82.629
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: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -911.810618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.810618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.810618 (E_RNA)
where:
Base-Base interactions energy: -647.210
where: short stacking energy: -274.867
Base-Backbone interact. energy: 0.199
local terms energy: -264.799761
where:
bonds (distance) C4'-P energy: -41.335
bonds (distance) P-C4' energy: -50.742
flat angles C4'-P-C4' energy: -59.611
flat angles P-C4'-P energy: -33.801
tors. eta vs tors. theta energy: -79.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -873.459054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.459054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.459054 (E_RNA)
where:
Base-Base interactions energy: -610.777
where: short stacking energy: -260.303
Base-Backbone interact. energy: -0.108
local terms energy: -262.574119
where:
bonds (distance) C4'-P energy: -48.369
bonds (distance) P-C4' energy: -47.919
flat angles C4'-P-C4' energy: -54.745
flat angles P-C4'-P energy: -37.589
tors. eta vs tors. theta energy: -73.952
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: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -802.135807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.135807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.135807 (E_RNA)
where:
Base-Base interactions energy: -558.953
where: short stacking energy: -233.800
Base-Backbone interact. energy: -0.522
local terms energy: -242.661329
where:
bonds (distance) C4'-P energy: -47.363
bonds (distance) P-C4' energy: -48.351
flat angles C4'-P-C4' energy: -56.076
flat angles P-C4'-P energy: -27.537
tors. eta vs tors. theta energy: -63.334
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: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -760.262859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.262859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.262859 (E_RNA)
where:
Base-Base interactions energy: -525.500
where: short stacking energy: -218.416
Base-Backbone interact. energy: -1.091
local terms energy: -233.671742
where:
bonds (distance) C4'-P energy: -43.217
bonds (distance) P-C4' energy: -49.095
flat angles C4'-P-C4' energy: -39.482
flat angles P-C4'-P energy: -40.795
tors. eta vs tors. theta energy: -61.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -755.256866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.256866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.256866 (E_RNA)
where:
Base-Base interactions energy: -522.913
where: short stacking energy: -220.529
Base-Backbone interact. energy: -1.060
local terms energy: -231.283251
where:
bonds (distance) C4'-P energy: -45.139
bonds (distance) P-C4' energy: -48.092
flat angles C4'-P-C4' energy: -56.612
flat angles P-C4'-P energy: -26.683
tors. eta vs tors. theta energy: -54.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -767.585220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.585220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.585220 (E_RNA)
where:
Base-Base interactions energy: -517.877
where: short stacking energy: -216.660
Base-Backbone interact. energy: -0.755
local terms energy: -248.952675
where:
bonds (distance) C4'-P energy: -44.113
bonds (distance) P-C4' energy: -47.834
flat angles C4'-P-C4' energy: -54.928
flat angles P-C4'-P energy: -39.755
tors. eta vs tors. theta energy: -62.322
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: 9, replica: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -545.129737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.129737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.129737 (E_RNA)
where:
Base-Base interactions energy: -337.760
where: short stacking energy: -155.394
Base-Backbone interact. energy: -0.044
local terms energy: -207.326006
where:
bonds (distance) C4'-P energy: -50.712
bonds (distance) P-C4' energy: -40.584
flat angles C4'-P-C4' energy: -46.982
flat angles P-C4'-P energy: -33.566
tors. eta vs tors. theta energy: -35.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -356.577095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.577095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.577095 (E_RNA)
where:
Base-Base interactions energy: -212.325
where: short stacking energy: -101.611
Base-Backbone interact. energy: -0.986
local terms energy: -143.266261
where:
bonds (distance) C4'-P energy: -30.117
bonds (distance) P-C4' energy: -46.638
flat angles C4'-P-C4' energy: -32.276
flat angles P-C4'-P energy: -24.400
tors. eta vs tors. theta energy: -9.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -981.358452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.358452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.358452 (E_RNA)
where:
Base-Base interactions energy: -680.199
where: short stacking energy: -298.418
Base-Backbone interact. energy: -1.110
local terms energy: -300.049229
where:
bonds (distance) C4'-P energy: -52.335
bonds (distance) P-C4' energy: -52.842
flat angles C4'-P-C4' energy: -64.616
flat angles P-C4'-P energy: -41.497
tors. eta vs tors. theta energy: -88.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -927.664378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.664378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.664378 (E_RNA)
where:
Base-Base interactions energy: -646.418
where: short stacking energy: -272.799
Base-Backbone interact. energy: -1.026
local terms energy: -280.220401
where:
bonds (distance) C4'-P energy: -51.268
bonds (distance) P-C4' energy: -51.036
flat angles C4'-P-C4' energy: -60.128
flat angles P-C4'-P energy: -38.502
tors. eta vs tors. theta energy: -79.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -911.855300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.855300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.855300 (E_RNA)
where:
Base-Base interactions energy: -646.647
where: short stacking energy: -285.185
Base-Backbone interact. energy: 0.291
local terms energy: -265.500166
where:
bonds (distance) C4'-P energy: -52.022
bonds (distance) P-C4' energy: -41.724
flat angles C4'-P-C4' energy: -56.631
flat angles P-C4'-P energy: -32.024
tors. eta vs tors. theta energy: -83.098
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: 198
Temperature: 1.050000
Total energy: -864.649270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.649270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.649270 (E_RNA)
where:
Base-Base interactions energy: -587.556
where: short stacking energy: -268.262
Base-Backbone interact. energy: -1.136
local terms energy: -275.957455
where:
bonds (distance) C4'-P energy: -50.658
bonds (distance) P-C4' energy: -50.662
flat angles C4'-P-C4' energy: -58.405
flat angles P-C4'-P energy: -42.178
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: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -812.554562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.554562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.554562 (E_RNA)
where:
Base-Base interactions energy: -559.599
where: short stacking energy: -241.699
Base-Backbone interact. energy: -0.166
local terms energy: -252.789220
where:
bonds (distance) C4'-P energy: -50.894
bonds (distance) P-C4' energy: -47.807
flat angles C4'-P-C4' energy: -53.579
flat angles P-C4'-P energy: -36.047
tors. eta vs tors. theta energy: -64.462
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: 2
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -773.479814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.479814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.479814 (E_RNA)
where:
Base-Base interactions energy: -519.486
where: short stacking energy: -213.372
Base-Backbone interact. energy: 0.066
local terms energy: -254.060176
where:
bonds (distance) C4'-P energy: -48.703
bonds (distance) P-C4' energy: -51.127
flat angles C4'-P-C4' energy: -55.095
flat angles P-C4'-P energy: -41.793
tors. eta vs tors. theta energy: -57.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -775.772094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.772094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.772094 (E_RNA)
where:
Base-Base interactions energy: -532.552
where: short stacking energy: -230.968
Base-Backbone interact. energy: 1.096
local terms energy: -244.316355
where:
bonds (distance) C4'-P energy: -50.194
bonds (distance) P-C4' energy: -39.551
flat angles C4'-P-C4' energy: -57.226
flat angles P-C4'-P energy: -28.797
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: 8, replica: 3
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -713.492294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.492294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.492294 (E_RNA)
where:
Base-Base interactions energy: -496.849
where: short stacking energy: -203.374
Base-Backbone interact. energy: -0.679
local terms energy: -215.964581
where:
bonds (distance) C4'-P energy: -40.162
bonds (distance) P-C4' energy: -31.052
flat angles C4'-P-C4' energy: -60.632
flat angles P-C4'-P energy: -26.608
tors. eta vs tors. theta energy: -57.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -592.256024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.256024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.256024 (E_RNA)
where:
Base-Base interactions energy: -393.961
where: short stacking energy: -177.539
Base-Backbone interact. energy: -0.611
local terms energy: -197.684207
where:
bonds (distance) C4'-P energy: -37.957
bonds (distance) P-C4' energy: -45.707
flat angles C4'-P-C4' energy: -48.498
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: -48.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -406.427116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.427116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.427116 (E_RNA)
where:
Base-Base interactions energy: -239.385
where: short stacking energy: -121.546
Base-Backbone interact. energy: 0.132
local terms energy: -167.174665
where:
bonds (distance) C4'-P energy: -42.980
bonds (distance) P-C4' energy: -39.410
flat angles C4'-P-C4' energy: -42.249
flat angles P-C4'-P energy: -30.079
tors. eta vs tors. theta energy: -12.457
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: 9
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -978.820261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.820261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.820261 (E_RNA)
where:
Base-Base interactions energy: -677.222
where: short stacking energy: -290.554
Base-Backbone interact. energy: -2.196
local terms energy: -299.402591
where:
bonds (distance) C4'-P energy: -52.406
bonds (distance) P-C4' energy: -59.607
flat angles C4'-P-C4' energy: -60.424
flat angles P-C4'-P energy: -40.812
tors. eta vs tors. theta energy: -86.154
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: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -932.699937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.699937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.699937 (E_RNA)
where:
Base-Base interactions energy: -660.367
where: short stacking energy: -279.748
Base-Backbone interact. energy: 0.427
local terms energy: -272.760445
where:
bonds (distance) C4'-P energy: -51.354
bonds (distance) P-C4' energy: -43.643
flat angles C4'-P-C4' energy: -59.660
flat angles P-C4'-P energy: -40.361
tors. eta vs tors. theta energy: -77.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -902.283237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.283237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.283237 (E_RNA)
where:
Base-Base interactions energy: -641.580
where: short stacking energy: -266.563
Base-Backbone interact. energy: -1.610
local terms energy: -259.092634
where:
bonds (distance) C4'-P energy: -44.899
bonds (distance) P-C4' energy: -44.615
flat angles C4'-P-C4' energy: -58.288
flat angles P-C4'-P energy: -36.742
tors. eta vs tors. theta energy: -74.548
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: 7
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -881.957843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.957843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.957843 (E_RNA)
where:
Base-Base interactions energy: -592.356
where: short stacking energy: -260.251
Base-Backbone interact. energy: -0.727
local terms energy: -288.875227
where:
bonds (distance) C4'-P energy: -62.281
bonds (distance) P-C4' energy: -53.870
flat angles C4'-P-C4' energy: -59.000
flat angles P-C4'-P energy: -35.076
tors. eta vs tors. theta energy: -78.649
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: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -803.581812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.581812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.581812 (E_RNA)
where:
Base-Base interactions energy: -551.722
where: short stacking energy: -230.032
Base-Backbone interact. energy: 0.038
local terms energy: -251.897565
where:
bonds (distance) C4'-P energy: -46.635
bonds (distance) P-C4' energy: -53.605
flat angles C4'-P-C4' energy: -53.210
flat angles P-C4'-P energy: -33.277
tors. eta vs tors. theta energy: -65.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -791.677880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.677880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.677880 (E_RNA)
where:
Base-Base interactions energy: -547.559
where: short stacking energy: -238.849
Base-Backbone interact. energy: 0.194
local terms energy: -244.313101
where:
bonds (distance) C4'-P energy: -47.321
bonds (distance) P-C4' energy: -35.582
flat angles C4'-P-C4' energy: -55.115
flat angles P-C4'-P energy: -34.997
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: 7, replica: 2
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -751.022718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.022718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.022718 (E_RNA)
where:
Base-Base interactions energy: -512.758
where: short stacking energy: -212.021
Base-Backbone interact. energy: -1.787
local terms energy: -236.477882
where:
bonds (distance) C4'-P energy: -48.399
bonds (distance) P-C4' energy: -44.275
flat angles C4'-P-C4' energy: -49.369
flat angles P-C4'-P energy: -32.779
tors. eta vs tors. theta energy: -61.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -740.516376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.516376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.516376 (E_RNA)
where:
Base-Base interactions energy: -530.252
where: short stacking energy: -229.936
Base-Backbone interact. energy: -1.144
local terms energy: -209.120554
where:
bonds (distance) C4'-P energy: -30.630
bonds (distance) P-C4' energy: -47.954
flat angles C4'-P-C4' energy: -47.462
flat angles P-C4'-P energy: -24.574
tors. eta vs tors. theta energy: -58.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -577.356237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.356237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.356237 (E_RNA)
where:
Base-Base interactions energy: -373.446
where: short stacking energy: -170.787
Base-Backbone interact. energy: -0.711
local terms energy: -203.199756
where:
bonds (distance) C4'-P energy: -48.731
bonds (distance) P-C4' energy: -38.085
flat angles C4'-P-C4' energy: -43.918
flat angles P-C4'-P energy: -27.090
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: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -437.453187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.453187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.453187 (E_RNA)
where:
Base-Base interactions energy: -248.375
where: short stacking energy: -107.570
Base-Backbone interact. energy: -0.336
local terms energy: -188.742517
where:
bonds (distance) C4'-P energy: -38.462
bonds (distance) P-C4' energy: -48.651
flat angles C4'-P-C4' energy: -46.720
flat angles P-C4'-P energy: -24.648
tors. eta vs tors. theta energy: -30.261
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: 9
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -971.391798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.391798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.391798 (E_RNA)
where:
Base-Base interactions energy: -681.257
where: short stacking energy: -295.631
Base-Backbone interact. energy: -0.855
local terms energy: -289.279721
where:
bonds (distance) C4'-P energy: -53.074
bonds (distance) P-C4' energy: -45.994
flat angles C4'-P-C4' energy: -57.694
flat angles P-C4'-P energy: -42.884
tors. eta vs tors. theta energy: -89.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -923.991544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.991544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.991544 (E_RNA)
where:
Base-Base interactions energy: -646.399
where: short stacking energy: -282.773
Base-Backbone interact. energy: 1.269
local terms energy: -278.861518
where:
bonds (distance) C4'-P energy: -48.146
bonds (distance) P-C4' energy: -53.952
flat angles C4'-P-C4' energy: -61.760
flat angles P-C4'-P energy: -35.205
tors. eta vs tors. theta energy: -79.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -904.641669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.641669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.641669 (E_RNA)
where:
Base-Base interactions energy: -641.395
where: short stacking energy: -259.031
Base-Backbone interact. energy: -0.876
local terms energy: -262.371337
where:
bonds (distance) C4'-P energy: -45.670
bonds (distance) P-C4' energy: -37.902
flat angles C4'-P-C4' energy: -64.572
flat angles P-C4'-P energy: -37.895
tors. eta vs tors. theta energy: -76.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -861.923361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.923361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.923361 (E_RNA)
where:
Base-Base interactions energy: -591.180
where: short stacking energy: -258.424
Base-Backbone interact. energy: -1.217
local terms energy: -269.526794
where:
bonds (distance) C4'-P energy: -58.215
bonds (distance) P-C4' energy: -50.812
flat angles C4'-P-C4' energy: -57.617
flat angles P-C4'-P energy: -33.263
tors. eta vs tors. theta energy: -69.619
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: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -821.590408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.590408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.590408 (E_RNA)
where:
Base-Base interactions energy: -563.723
where: short stacking energy: -247.445
Base-Backbone interact. energy: -0.343
local terms energy: -257.525030
where:
bonds (distance) C4'-P energy: -49.190
bonds (distance) P-C4' energy: -41.447
flat angles C4'-P-C4' energy: -54.105
flat angles P-C4'-P energy: -41.140
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: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -775.240810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.240810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.240810 (E_RNA)
where:
Base-Base interactions energy: -524.685
where: short stacking energy: -229.594
Base-Backbone interact. energy: -0.805
local terms energy: -249.749887
where:
bonds (distance) C4'-P energy: -41.986
bonds (distance) P-C4' energy: -54.212
flat angles C4'-P-C4' energy: -54.014
flat angles P-C4'-P energy: -34.596
tors. eta vs tors. theta energy: -64.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -779.199709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.199709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.199709 (E_RNA)
where:
Base-Base interactions energy: -530.595
where: short stacking energy: -230.375
Base-Backbone interact. energy: -1.216
local terms energy: -247.388718
where:
bonds (distance) C4'-P energy: -43.102
bonds (distance) P-C4' energy: -42.983
flat angles C4'-P-C4' energy: -50.938
flat angles P-C4'-P energy: -38.526
tors. eta vs tors. theta energy: -71.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -716.239742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.239742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.239742 (E_RNA)
where:
Base-Base interactions energy: -488.626
where: short stacking energy: -205.940
Base-Backbone interact. energy: 5.350
local terms energy: -232.964302
where:
bonds (distance) C4'-P energy: -45.548
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -48.319
flat angles P-C4'-P energy: -31.861
tors. eta vs tors. theta energy: -57.135
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: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -568.901848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.901848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.901848 (E_RNA)
where:
Base-Base interactions energy: -362.910
where: short stacking energy: -171.540
Base-Backbone interact. energy: 1.341
local terms energy: -207.332884
where:
bonds (distance) C4'-P energy: -38.718
bonds (distance) P-C4' energy: -50.175
flat angles C4'-P-C4' energy: -51.572
flat angles P-C4'-P energy: -25.431
tors. eta vs tors. theta energy: -41.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -393.023893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.023893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.023893 (E_RNA)
where:
Base-Base interactions energy: -224.199
where: short stacking energy: -105.905
Base-Backbone interact. energy: -0.029
local terms energy: -168.796123
where:
bonds (distance) C4'-P energy: -46.851
bonds (distance) P-C4' energy: -42.347
flat angles C4'-P-C4' energy: -45.154
flat angles P-C4'-P energy: -25.856
tors. eta vs tors. theta energy: -8.589
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: 201
Temperature: 0.900000
Total energy: -973.491253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.491253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.491253 (E_RNA)
where:
Base-Base interactions energy: -683.737
where: short stacking energy: -300.860
Base-Backbone interact. energy: -1.148
local terms energy: -288.606454
where:
bonds (distance) C4'-P energy: -45.057
bonds (distance) P-C4' energy: -49.426
flat angles C4'-P-C4' energy: -62.645
flat angles P-C4'-P energy: -42.173
tors. eta vs tors. theta energy: -89.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -920.081670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.081670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.081670 (E_RNA)
where:
Base-Base interactions energy: -632.266
where: short stacking energy: -269.173
Base-Backbone interact. energy: -1.539
local terms energy: -286.277306
where:
bonds (distance) C4'-P energy: -50.210
bonds (distance) P-C4' energy: -54.266
flat angles C4'-P-C4' energy: -55.940
flat angles P-C4'-P energy: -41.802
tors. eta vs tors. theta energy: -84.059
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: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -913.093876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.093876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.093876 (E_RNA)
where:
Base-Base interactions energy: -638.735
where: short stacking energy: -282.101
Base-Backbone interact. energy: -0.611
local terms energy: -273.747839
where:
bonds (distance) C4'-P energy: -48.529
bonds (distance) P-C4' energy: -52.109
flat angles C4'-P-C4' energy: -58.536
flat angles P-C4'-P energy: -34.062
tors. eta vs tors. theta energy: -80.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -855.217249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.217249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.217249 (E_RNA)
where:
Base-Base interactions energy: -583.437
where: short stacking energy: -249.321
Base-Backbone interact. energy: -0.215
local terms energy: -271.564833
where:
bonds (distance) C4'-P energy: -49.777
bonds (distance) P-C4' energy: -58.295
flat angles C4'-P-C4' energy: -57.911
flat angles P-C4'-P energy: -33.212
tors. eta vs tors. theta energy: -72.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -843.188863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.188863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.188863 (E_RNA)
where:
Base-Base interactions energy: -578.276
where: short stacking energy: -235.629
Base-Backbone interact. energy: -0.638
local terms energy: -264.275009
where:
bonds (distance) C4'-P energy: -49.647
bonds (distance) P-C4' energy: -48.428
flat angles C4'-P-C4' energy: -54.641
flat angles P-C4'-P energy: -37.221
tors. eta vs tors. theta energy: -74.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -785.395084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.395084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.395084 (E_RNA)
where:
Base-Base interactions energy: -544.831
where: short stacking energy: -229.585
Base-Backbone interact. energy: 1.425
local terms energy: -241.989174
where:
bonds (distance) C4'-P energy: -39.741
bonds (distance) P-C4' energy: -50.595
flat angles C4'-P-C4' energy: -53.628
flat angles P-C4'-P energy: -40.304
tors. eta vs tors. theta energy: -57.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -754.630712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.630712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.630712 (E_RNA)
where:
Base-Base interactions energy: -528.232
where: short stacking energy: -227.532
Base-Backbone interact. energy: 0.547
local terms energy: -226.945240
where:
bonds (distance) C4'-P energy: -37.471
bonds (distance) P-C4' energy: -32.819
flat angles C4'-P-C4' energy: -54.061
flat angles P-C4'-P energy: -36.184
tors. eta vs tors. theta energy: -66.411
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: 2
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -730.533106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.533106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.533106 (E_RNA)
where:
Base-Base interactions energy: -510.873
where: short stacking energy: -198.276
Base-Backbone interact. energy: -0.765
local terms energy: -218.894949
where:
bonds (distance) C4'-P energy: -27.767
bonds (distance) P-C4' energy: -36.291
flat angles C4'-P-C4' energy: -59.787
flat angles P-C4'-P energy: -32.330
tors. eta vs tors. theta energy: -62.721
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: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -590.408186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.408186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.408186 (E_RNA)
where:
Base-Base interactions energy: -365.710
where: short stacking energy: -180.744
Base-Backbone interact. energy: -0.354
local terms energy: -224.344779
where:
bonds (distance) C4'-P energy: -39.491
bonds (distance) P-C4' energy: -46.710
flat angles C4'-P-C4' energy: -47.321
flat angles P-C4'-P energy: -36.407
tors. eta vs tors. theta energy: -54.416
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: 201
Temperature: 1.350000
Total energy: -388.895107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.895107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.895107 (E_RNA)
where:
Base-Base interactions energy: -230.074
where: short stacking energy: -114.294
Base-Backbone interact. energy: 0.334
local terms energy: -159.154752
where:
bonds (distance) C4'-P energy: -37.933
bonds (distance) P-C4' energy: -33.346
flat angles C4'-P-C4' energy: -33.576
flat angles P-C4'-P energy: -31.179
tors. eta vs tors. theta energy: -23.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -958.551470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.551470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.551470 (E_RNA)
where:
Base-Base interactions energy: -672.550
where: short stacking energy: -284.531
Base-Backbone interact. energy: -0.016
local terms energy: -285.985861
where:
bonds (distance) C4'-P energy: -52.964
bonds (distance) P-C4' energy: -51.802
flat angles C4'-P-C4' energy: -55.437
flat angles P-C4'-P energy: -41.772
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: 2, replica: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -943.364099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.364099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.364099 (E_RNA)
where:
Base-Base interactions energy: -650.734
where: short stacking energy: -276.212
Base-Backbone interact. energy: -1.263
local terms energy: -291.367240
where:
bonds (distance) C4'-P energy: -42.619
bonds (distance) P-C4' energy: -57.037
flat angles C4'-P-C4' energy: -59.462
flat angles P-C4'-P energy: -45.582
tors. eta vs tors. theta energy: -86.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -900.875363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.875363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.875363 (E_RNA)
where:
Base-Base interactions energy: -625.334
where: short stacking energy: -264.016
Base-Backbone interact. energy: -0.754
local terms energy: -274.786906
where:
bonds (distance) C4'-P energy: -56.714
bonds (distance) P-C4' energy: -54.124
flat angles C4'-P-C4' energy: -50.251
flat angles P-C4'-P energy: -39.664
tors. eta vs tors. theta energy: -74.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -854.470664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.470664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.470664 (E_RNA)
where:
Base-Base interactions energy: -606.469
where: short stacking energy: -252.586
Base-Backbone interact. energy: 0.758
local terms energy: -248.759270
where:
bonds (distance) C4'-P energy: -41.640
bonds (distance) P-C4' energy: -46.317
flat angles C4'-P-C4' energy: -54.567
flat angles P-C4'-P energy: -36.145
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: 5, replica: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -836.635584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.635584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.635584 (E_RNA)
where:
Base-Base interactions energy: -584.865
where: short stacking energy: -240.822
Base-Backbone interact. energy: -2.287
local terms energy: -249.483205
where:
bonds (distance) C4'-P energy: -49.207
bonds (distance) P-C4' energy: -52.036
flat angles C4'-P-C4' energy: -48.072
flat angles P-C4'-P energy: -33.761
tors. eta vs tors. theta energy: -66.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -791.520555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.520555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.520555 (E_RNA)
where:
Base-Base interactions energy: -534.728
where: short stacking energy: -230.286
Base-Backbone interact. energy: -0.902
local terms energy: -255.891245
where:
bonds (distance) C4'-P energy: -46.153
bonds (distance) P-C4' energy: -55.951
flat angles C4'-P-C4' energy: -55.633
flat angles P-C4'-P energy: -34.006
tors. eta vs tors. theta energy: -64.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -758.177131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.177131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.177131 (E_RNA)
where:
Base-Base interactions energy: -499.418
where: short stacking energy: -215.205
Base-Backbone interact. energy: -1.191
local terms energy: -257.568908
where:
bonds (distance) C4'-P energy: -47.139
bonds (distance) P-C4' energy: -54.800
flat angles C4'-P-C4' energy: -51.865
flat angles P-C4'-P energy: -39.262
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: 8, replica: 2
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -708.944931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.944931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.944931 (E_RNA)
where:
Base-Base interactions energy: -486.974
where: short stacking energy: -202.110
Base-Backbone interact. energy: -1.352
local terms energy: -220.619664
where:
bonds (distance) C4'-P energy: -46.112
bonds (distance) P-C4' energy: -47.296
flat angles C4'-P-C4' energy: -48.220
flat angles P-C4'-P energy: -30.850
tors. eta vs tors. theta energy: -48.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -595.953795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.953795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.953795 (E_RNA)
where:
Base-Base interactions energy: -381.365
where: short stacking energy: -189.507
Base-Backbone interact. energy: 0.058
local terms energy: -214.646818
where:
bonds (distance) C4'-P energy: -39.053
bonds (distance) P-C4' energy: -48.378
flat angles C4'-P-C4' energy: -49.013
flat angles P-C4'-P energy: -29.489
tors. eta vs tors. theta energy: -48.715
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: 202
Temperature: 1.350000
Total energy: -391.333344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.333344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.333344 (E_RNA)
where:
Base-Base interactions energy: -214.873
where: short stacking energy: -126.278
Base-Backbone interact. energy: 0.679
local terms energy: -177.139128
where:
bonds (distance) C4'-P energy: -51.624
bonds (distance) P-C4' energy: -28.562
flat angles C4'-P-C4' energy: -43.499
flat angles P-C4'-P energy: -18.817
tors. eta vs tors. theta energy: -34.637
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: 9
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -981.649745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.649745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.649745 (E_RNA)
where:
Base-Base interactions energy: -675.640
where: short stacking energy: -297.380
Base-Backbone interact. energy: 0.533
local terms energy: -306.542426
where:
bonds (distance) C4'-P energy: -61.357
bonds (distance) P-C4' energy: -49.398
flat angles C4'-P-C4' energy: -60.888
flat angles P-C4'-P energy: -43.859
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: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -911.684171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.684171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.684171 (E_RNA)
where:
Base-Base interactions energy: -634.466
where: short stacking energy: -265.916
Base-Backbone interact. energy: -1.311
local terms energy: -275.906850
where:
bonds (distance) C4'-P energy: -49.885
bonds (distance) P-C4' energy: -48.665
flat angles C4'-P-C4' energy: -55.034
flat angles P-C4'-P energy: -45.104
tors. eta vs tors. theta energy: -77.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -903.910749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.910749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.910749 (E_RNA)
where:
Base-Base interactions energy: -623.639
where: short stacking energy: -262.661
Base-Backbone interact. energy: 0.348
local terms energy: -280.619997
where:
bonds (distance) C4'-P energy: -51.462
bonds (distance) P-C4' energy: -51.387
flat angles C4'-P-C4' energy: -57.267
flat angles P-C4'-P energy: -46.236
tors. eta vs tors. theta energy: -74.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -850.503819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.503819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.503819 (E_RNA)
where:
Base-Base interactions energy: -587.665
where: short stacking energy: -261.796
Base-Backbone interact. energy: -0.913
local terms energy: -261.925684
where:
bonds (distance) C4'-P energy: -44.643
bonds (distance) P-C4' energy: -54.536
flat angles C4'-P-C4' energy: -57.659
flat angles P-C4'-P energy: -35.833
tors. eta vs tors. theta energy: -69.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -806.005334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.005334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.005334 (E_RNA)
where:
Base-Base interactions energy: -560.387
where: short stacking energy: -231.112
Base-Backbone interact. energy: 1.395
local terms energy: -247.013025
where:
bonds (distance) C4'-P energy: -44.635
bonds (distance) P-C4' energy: -39.955
flat angles C4'-P-C4' energy: -60.970
flat angles P-C4'-P energy: -38.051
tors. eta vs tors. theta energy: -63.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -761.398181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.398181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.398181 (E_RNA)
where:
Base-Base interactions energy: -514.597
where: short stacking energy: -223.843
Base-Backbone interact. energy: -2.399
local terms energy: -244.402282
where:
bonds (distance) C4'-P energy: -50.785
bonds (distance) P-C4' energy: -44.839
flat angles C4'-P-C4' energy: -47.957
flat angles P-C4'-P energy: -36.917
tors. eta vs tors. theta energy: -63.904
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: 1
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -755.535303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.535303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.535303 (E_RNA)
where:
Base-Base interactions energy: -536.285
where: short stacking energy: -227.924
Base-Backbone interact. energy: -0.312
local terms energy: -218.937959
where:
bonds (distance) C4'-P energy: -39.651
bonds (distance) P-C4' energy: -32.640
flat angles C4'-P-C4' energy: -51.503
flat angles P-C4'-P energy: -33.814
tors. eta vs tors. theta energy: -61.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -725.987573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.987573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.987573 (E_RNA)
where:
Base-Base interactions energy: -490.249
where: short stacking energy: -206.980
Base-Backbone interact. energy: 0.303
local terms energy: -236.041499
where:
bonds (distance) C4'-P energy: -49.849
bonds (distance) P-C4' energy: -54.898
flat angles C4'-P-C4' energy: -40.360
flat angles P-C4'-P energy: -40.284
tors. eta vs tors. theta energy: -50.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -586.959612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.959612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.959612 (E_RNA)
where:
Base-Base interactions energy: -387.787
where: short stacking energy: -174.246
Base-Backbone interact. energy: 1.097
local terms energy: -200.270430
where:
bonds (distance) C4'-P energy: -37.083
bonds (distance) P-C4' energy: -41.507
flat angles C4'-P-C4' energy: -47.707
flat angles P-C4'-P energy: -29.474
tors. eta vs tors. theta energy: -44.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -360.771879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.771879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.771879 (E_RNA)
where:
Base-Base interactions energy: -203.249
where: short stacking energy: -86.676
Base-Backbone interact. energy: -1.660
local terms energy: -155.862349
where:
bonds (distance) C4'-P energy: -38.758
bonds (distance) P-C4' energy: -44.519
flat angles C4'-P-C4' energy: -35.042
flat angles P-C4'-P energy: -30.396
tors. eta vs tors. theta energy: -7.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -980.407162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.407162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.407162 (E_RNA)
where:
Base-Base interactions energy: -688.203
where: short stacking energy: -303.814
Base-Backbone interact. energy: 0.451
local terms energy: -292.655949
where:
bonds (distance) C4'-P energy: -49.209
bonds (distance) P-C4' energy: -44.876
flat angles C4'-P-C4' energy: -67.696
flat angles P-C4'-P energy: -37.767
tors. eta vs tors. theta energy: -93.109
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: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -920.446612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.446612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.446612 (E_RNA)
where:
Base-Base interactions energy: -635.007
where: short stacking energy: -274.462
Base-Backbone interact. energy: -1.430
local terms energy: -284.008886
where:
bonds (distance) C4'-P energy: -45.618
bonds (distance) P-C4' energy: -51.286
flat angles C4'-P-C4' energy: -61.732
flat angles P-C4'-P energy: -40.925
tors. eta vs tors. theta energy: -84.447
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: 3, replica: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -872.436664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.436664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.436664 (E_RNA)
where:
Base-Base interactions energy: -592.620
where: short stacking energy: -256.803
Base-Backbone interact. energy: -0.745
local terms energy: -279.071807
where:
bonds (distance) C4'-P energy: -48.887
bonds (distance) P-C4' energy: -52.583
flat angles C4'-P-C4' energy: -61.167
flat angles P-C4'-P energy: -40.246
tors. eta vs tors. theta energy: -76.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -863.336031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.336031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.336031 (E_RNA)
where:
Base-Base interactions energy: -590.194
where: short stacking energy: -261.863
Base-Backbone interact. energy: -0.165
local terms energy: -272.977622
where:
bonds (distance) C4'-P energy: -51.139
bonds (distance) P-C4' energy: -56.949
flat angles C4'-P-C4' energy: -59.734
flat angles P-C4'-P energy: -32.898
tors. eta vs tors. theta energy: -72.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -798.144591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.144591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.144591 (E_RNA)
where:
Base-Base interactions energy: -569.501
where: short stacking energy: -226.681
Base-Backbone interact. energy: 3.990
local terms energy: -232.633243
where:
bonds (distance) C4'-P energy: -44.976
bonds (distance) P-C4' energy: -48.542
flat angles C4'-P-C4' energy: -52.363
flat angles P-C4'-P energy: -33.592
tors. eta vs tors. theta energy: -53.161
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: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -813.580391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.580391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.580391 (E_RNA)
where:
Base-Base interactions energy: -558.883
where: short stacking energy: -236.484
Base-Backbone interact. energy: -0.505
local terms energy: -254.193101
where:
bonds (distance) C4'-P energy: -45.595
bonds (distance) P-C4' energy: -39.509
flat angles C4'-P-C4' energy: -56.530
flat angles P-C4'-P energy: -43.260
tors. eta vs tors. theta energy: -69.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -759.606048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.606048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.606048 (E_RNA)
where:
Base-Base interactions energy: -513.750
where: short stacking energy: -229.103
Base-Backbone interact. energy: -0.422
local terms energy: -245.434470
where:
bonds (distance) C4'-P energy: -47.673
bonds (distance) P-C4' energy: -48.399
flat angles C4'-P-C4' energy: -56.462
flat angles P-C4'-P energy: -31.902
tors. eta vs tors. theta energy: -60.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -733.356608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.356608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.356608 (E_RNA)
where:
Base-Base interactions energy: -494.589
where: short stacking energy: -220.283
Base-Backbone interact. energy: -0.393
local terms energy: -238.374485
where:
bonds (distance) C4'-P energy: -45.968
bonds (distance) P-C4' energy: -47.730
flat angles C4'-P-C4' energy: -45.332
flat angles P-C4'-P energy: -38.285
tors. eta vs tors. theta energy: -61.060
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: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -589.542232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.542232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.542232 (E_RNA)
where:
Base-Base interactions energy: -389.761
where: short stacking energy: -175.589
Base-Backbone interact. energy: -0.238
local terms energy: -199.543406
where:
bonds (distance) C4'-P energy: -35.857
bonds (distance) P-C4' energy: -47.319
flat angles C4'-P-C4' energy: -42.040
flat angles P-C4'-P energy: -28.302
tors. eta vs tors. theta energy: -46.025
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: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -392.933327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.933327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.933327 (E_RNA)
where:
Base-Base interactions energy: -243.694
where: short stacking energy: -119.142
Base-Backbone interact. energy: -2.333
local terms energy: -146.905666
where:
bonds (distance) C4'-P energy: -22.182
bonds (distance) P-C4' energy: -46.825
flat angles C4'-P-C4' energy: -43.896
flat angles P-C4'-P energy: -17.772
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -969.032569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.032569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.032569 (E_RNA)
where:
Base-Base interactions energy: -664.203
where: short stacking energy: -300.437
Base-Backbone interact. energy: 0.940
local terms energy: -305.769440
where:
bonds (distance) C4'-P energy: -54.074
bonds (distance) P-C4' energy: -50.192
flat angles C4'-P-C4' energy: -66.444
flat angles P-C4'-P energy: -41.669
tors. eta vs tors. theta energy: -93.391
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: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -930.890373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.890373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.890373 (E_RNA)
where:
Base-Base interactions energy: -649.609
where: short stacking energy: -287.428
Base-Backbone interact. energy: -0.392
local terms energy: -280.889682
where:
bonds (distance) C4'-P energy: -53.061
bonds (distance) P-C4' energy: -50.813
flat angles C4'-P-C4' energy: -57.234
flat angles P-C4'-P energy: -30.596
tors. eta vs tors. theta energy: -89.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -846.440164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.440164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.440164 (E_RNA)
where:
Base-Base interactions energy: -591.035
where: short stacking energy: -247.243
Base-Backbone interact. energy: -0.227
local terms energy: -255.177959
where:
bonds (distance) C4'-P energy: -44.766
bonds (distance) P-C4' energy: -49.165
flat angles C4'-P-C4' energy: -50.959
flat angles P-C4'-P energy: -39.334
tors. eta vs tors. theta energy: -70.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -860.180973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.180973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.180973 (E_RNA)
where:
Base-Base interactions energy: -603.048
where: short stacking energy: -253.938
Base-Backbone interact. energy: -0.149
local terms energy: -256.983566
where:
bonds (distance) C4'-P energy: -41.178
bonds (distance) P-C4' energy: -55.050
flat angles C4'-P-C4' energy: -56.117
flat angles P-C4'-P energy: -35.932
tors. eta vs tors. theta energy: -68.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -811.923624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.923624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.923624 (E_RNA)
where:
Base-Base interactions energy: -557.622
where: short stacking energy: -238.271
Base-Backbone interact. energy: -0.385
local terms energy: -253.916560
where:
bonds (distance) C4'-P energy: -47.433
bonds (distance) P-C4' energy: -61.723
flat angles C4'-P-C4' energy: -47.502
flat angles P-C4'-P energy: -26.527
tors. eta vs tors. theta energy: -70.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -773.720374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.720374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.720374 (E_RNA)
where:
Base-Base interactions energy: -518.348
where: short stacking energy: -227.303
Base-Backbone interact. energy: -1.230
local terms energy: -254.143202
where:
bonds (distance) C4'-P energy: -38.462
bonds (distance) P-C4' energy: -44.705
flat angles C4'-P-C4' energy: -61.805
flat angles P-C4'-P energy: -47.070
tors. eta vs tors. theta energy: -62.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -770.700546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.700546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.700546 (E_RNA)
where:
Base-Base interactions energy: -544.191
where: short stacking energy: -226.694
Base-Backbone interact. energy: -0.692
local terms energy: -225.817812
where:
bonds (distance) C4'-P energy: -50.536
bonds (distance) P-C4' energy: -35.203
flat angles C4'-P-C4' energy: -48.556
flat angles P-C4'-P energy: -26.832
tors. eta vs tors. theta energy: -64.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -752.189315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.189315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.189315 (E_RNA)
where:
Base-Base interactions energy: -510.543
where: short stacking energy: -227.665
Base-Backbone interact. energy: 0.834
local terms energy: -242.479933
where:
bonds (distance) C4'-P energy: -46.340
bonds (distance) P-C4' energy: -51.349
flat angles C4'-P-C4' energy: -47.546
flat angles P-C4'-P energy: -32.054
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: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -566.621959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.621959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.621959 (E_RNA)
where:
Base-Base interactions energy: -353.488
where: short stacking energy: -172.343
Base-Backbone interact. energy: 0.620
local terms energy: -213.754020
where:
bonds (distance) C4'-P energy: -46.203
bonds (distance) P-C4' energy: -43.232
flat angles C4'-P-C4' energy: -48.199
flat angles P-C4'-P energy: -27.250
tors. eta vs tors. theta energy: -48.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -411.063158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.063158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.063158 (E_RNA)
where:
Base-Base interactions energy: -243.645
where: short stacking energy: -116.634
Base-Backbone interact. energy: -1.361
local terms energy: -166.056573
where:
bonds (distance) C4'-P energy: -45.546
bonds (distance) P-C4' energy: -42.426
flat angles C4'-P-C4' energy: -30.571
flat angles P-C4'-P energy: -21.429
tors. eta vs tors. theta energy: -26.085
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: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -961.059265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.059265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.059265 (E_RNA)
where:
Base-Base interactions energy: -665.884
where: short stacking energy: -274.243
Base-Backbone interact. energy: -0.985
local terms energy: -294.189741
where:
bonds (distance) C4'-P energy: -56.432
bonds (distance) P-C4' energy: -55.050
flat angles C4'-P-C4' energy: -59.598
flat angles P-C4'-P energy: -41.909
tors. eta vs tors. theta energy: -81.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -955.629741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.629741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.629741 (E_RNA)
where:
Base-Base interactions energy: -665.466
where: short stacking energy: -275.756
Base-Backbone interact. energy: 0.668
local terms energy: -290.831893
where:
bonds (distance) C4'-P energy: -52.932
bonds (distance) P-C4' energy: -50.980
flat angles C4'-P-C4' energy: -53.691
flat angles P-C4'-P energy: -46.105
tors. eta vs tors. theta energy: -87.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -875.635476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.635476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.635476 (E_RNA)
where:
Base-Base interactions energy: -607.357
where: short stacking energy: -257.586
Base-Backbone interact. energy: 0.181
local terms energy: -268.459633
where:
bonds (distance) C4'-P energy: -54.038
bonds (distance) P-C4' energy: -55.059
flat angles C4'-P-C4' energy: -56.698
flat angles P-C4'-P energy: -33.917
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: 4, replica: 5
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -855.764742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.764742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.764742 (E_RNA)
where:
Base-Base interactions energy: -590.323
where: short stacking energy: -247.962
Base-Backbone interact. energy: -0.716
local terms energy: -264.725274
where:
bonds (distance) C4'-P energy: -40.708
bonds (distance) P-C4' energy: -53.431
flat angles C4'-P-C4' energy: -61.578
flat angles P-C4'-P energy: -38.108
tors. eta vs tors. theta energy: -70.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -820.603190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.603190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.603190 (E_RNA)
where:
Base-Base interactions energy: -561.981
where: short stacking energy: -247.170
Base-Backbone interact. energy: -0.241
local terms energy: -258.380735
where:
bonds (distance) C4'-P energy: -47.722
bonds (distance) P-C4' energy: -39.355
flat angles C4'-P-C4' energy: -65.560
flat angles P-C4'-P energy: -38.271
tors. eta vs tors. theta energy: -67.473
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: 6
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -787.233900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.233900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.233900 (E_RNA)
where:
Base-Base interactions energy: -542.489
where: short stacking energy: -245.874
Base-Backbone interact. energy: 0.724
local terms energy: -245.468431
where:
bonds (distance) C4'-P energy: -33.743
bonds (distance) P-C4' energy: -48.424
flat angles C4'-P-C4' energy: -57.305
flat angles P-C4'-P energy: -30.087
tors. eta vs tors. theta energy: -75.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -779.822651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.822651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.822651 (E_RNA)
where:
Base-Base interactions energy: -552.245
where: short stacking energy: -225.346
Base-Backbone interact. energy: 3.086
local terms energy: -230.663937
where:
bonds (distance) C4'-P energy: -39.474
bonds (distance) P-C4' energy: -49.219
flat angles C4'-P-C4' energy: -47.468
flat angles P-C4'-P energy: -33.610
tors. eta vs tors. theta energy: -60.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -753.830256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.830256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.830256 (E_RNA)
where:
Base-Base interactions energy: -529.674
where: short stacking energy: -230.293
Base-Backbone interact. energy: -0.489
local terms energy: -223.667174
where:
bonds (distance) C4'-P energy: -45.103
bonds (distance) P-C4' energy: -34.854
flat angles C4'-P-C4' energy: -42.392
flat angles P-C4'-P energy: -35.739
tors. eta vs tors. theta energy: -65.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -557.723720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.723720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.723720 (E_RNA)
where:
Base-Base interactions energy: -374.194
where: short stacking energy: -174.067
Base-Backbone interact. energy: 0.308
local terms energy: -183.838183
where:
bonds (distance) C4'-P energy: -47.391
bonds (distance) P-C4' energy: -30.703
flat angles C4'-P-C4' energy: -40.110
flat angles P-C4'-P energy: -26.064
tors. eta vs tors. theta energy: -39.570
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: 206
Temperature: 1.350000
Total energy: -408.503596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.503596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.503596 (E_RNA)
where:
Base-Base interactions energy: -243.505
where: short stacking energy: -115.370
Base-Backbone interact. energy: -2.194
local terms energy: -162.804356
where:
bonds (distance) C4'-P energy: -24.347
bonds (distance) P-C4' energy: -53.054
flat angles C4'-P-C4' energy: -38.701
flat angles P-C4'-P energy: -29.209
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -956.756206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.756206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.756206 (E_RNA)
where:
Base-Base interactions energy: -663.063
where: short stacking energy: -285.441
Base-Backbone interact. energy: -1.856
local terms energy: -291.837762
where:
bonds (distance) C4'-P energy: -48.411
bonds (distance) P-C4' energy: -57.592
flat angles C4'-P-C4' energy: -57.463
flat angles P-C4'-P energy: -43.093
tors. eta vs tors. theta energy: -85.279
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: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -959.858748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.858748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.858748 (E_RNA)
where:
Base-Base interactions energy: -670.709
where: short stacking energy: -289.013
Base-Backbone interact. energy: 0.578
local terms energy: -289.727304
where:
bonds (distance) C4'-P energy: -58.631
bonds (distance) P-C4' energy: -49.274
flat angles C4'-P-C4' energy: -58.359
flat angles P-C4'-P energy: -37.677
tors. eta vs tors. theta energy: -85.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -857.564708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.564708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.564708 (E_RNA)
where:
Base-Base interactions energy: -580.542
where: short stacking energy: -244.223
Base-Backbone interact. energy: 0.301
local terms energy: -277.323641
where:
bonds (distance) C4'-P energy: -55.674
bonds (distance) P-C4' energy: -45.892
flat angles C4'-P-C4' energy: -54.198
flat angles P-C4'-P energy: -47.921
tors. eta vs tors. theta energy: -73.639
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: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -886.890650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.890650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.890650 (E_RNA)
where:
Base-Base interactions energy: -629.973
where: short stacking energy: -272.757
Base-Backbone interact. energy: -0.841
local terms energy: -256.075906
where:
bonds (distance) C4'-P energy: -46.464
bonds (distance) P-C4' energy: -46.808
flat angles C4'-P-C4' energy: -55.430
flat angles P-C4'-P energy: -38.294
tors. eta vs tors. theta energy: -69.080
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: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -813.786403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.786403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.786403 (E_RNA)
where:
Base-Base interactions energy: -556.989
where: short stacking energy: -251.178
Base-Backbone interact. energy: -0.151
local terms energy: -256.646498
where:
bonds (distance) C4'-P energy: -46.842
bonds (distance) P-C4' energy: -47.007
flat angles C4'-P-C4' energy: -54.942
flat angles P-C4'-P energy: -39.824
tors. eta vs tors. theta energy: -68.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -816.540373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.540373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.540373 (E_RNA)
where:
Base-Base interactions energy: -563.597
where: short stacking energy: -237.378
Base-Backbone interact. energy: -0.266
local terms energy: -252.677674
where:
bonds (distance) C4'-P energy: -39.671
bonds (distance) P-C4' energy: -45.849
flat angles C4'-P-C4' energy: -56.903
flat angles P-C4'-P energy: -37.975
tors. eta vs tors. theta energy: -72.280
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: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -751.224618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.224618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.224618 (E_RNA)
where:
Base-Base interactions energy: -517.504
where: short stacking energy: -226.273
Base-Backbone interact. energy: -0.780
local terms energy: -232.940429
where:
bonds (distance) C4'-P energy: -31.667
bonds (distance) P-C4' energy: -54.438
flat angles C4'-P-C4' energy: -44.355
flat angles P-C4'-P energy: -35.462
tors. eta vs tors. theta energy: -67.018
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: 2
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -766.229668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.229668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.229668 (E_RNA)
where:
Base-Base interactions energy: -529.151
where: short stacking energy: -227.206
Base-Backbone interact. energy: -0.540
local terms energy: -236.539296
where:
bonds (distance) C4'-P energy: -43.824
bonds (distance) P-C4' energy: -45.351
flat angles C4'-P-C4' energy: -47.140
flat angles P-C4'-P energy: -39.572
tors. eta vs tors. theta energy: -60.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -569.815896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.815896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.815896 (E_RNA)
where:
Base-Base interactions energy: -351.991
where: short stacking energy: -165.776
Base-Backbone interact. energy: -1.163
local terms energy: -216.662478
where:
bonds (distance) C4'-P energy: -35.350
bonds (distance) P-C4' energy: -59.449
flat angles C4'-P-C4' energy: -48.660
flat angles P-C4'-P energy: -26.212
tors. eta vs tors. theta energy: -46.991
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: 207
Temperature: 1.350000
Total energy: -416.404079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.404079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.404079 (E_RNA)
where:
Base-Base interactions energy: -252.702
where: short stacking energy: -131.107
Base-Backbone interact. energy: -0.330
local terms energy: -163.371883
where:
bonds (distance) C4'-P energy: -33.211
bonds (distance) P-C4' energy: -50.416
flat angles C4'-P-C4' energy: -37.701
flat angles P-C4'-P energy: -24.189
tors. eta vs tors. theta energy: -17.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -955.811811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.811811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.811811 (E_RNA)
where:
Base-Base interactions energy: -668.906
where: short stacking energy: -287.320
Base-Backbone interact. energy: 1.174
local terms energy: -288.079250
where:
bonds (distance) C4'-P energy: -48.641
bonds (distance) P-C4' energy: -56.303
flat angles C4'-P-C4' energy: -61.481
flat angles P-C4'-P energy: -33.387
tors. eta vs tors. theta energy: -88.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -947.070355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.070355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.070355 (E_RNA)
where:
Base-Base interactions energy: -665.081
where: short stacking energy: -286.074
Base-Backbone interact. energy: -1.400
local terms energy: -280.589226
where:
bonds (distance) C4'-P energy: -44.030
bonds (distance) P-C4' energy: -51.612
flat angles C4'-P-C4' energy: -61.985
flat angles P-C4'-P energy: -43.881
tors. eta vs tors. theta energy: -79.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -859.241686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.241686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.241686 (E_RNA)
where:
Base-Base interactions energy: -585.798
where: short stacking energy: -258.683
Base-Backbone interact. energy: -2.266
local terms energy: -271.177747
where:
bonds (distance) C4'-P energy: -55.917
bonds (distance) P-C4' energy: -57.338
flat angles C4'-P-C4' energy: -48.265
flat angles P-C4'-P energy: -41.272
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: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -855.387105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.387105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.387105 (E_RNA)
where:
Base-Base interactions energy: -590.622
where: short stacking energy: -254.675
Base-Backbone interact. energy: -0.726
local terms energy: -264.038353
where:
bonds (distance) C4'-P energy: -52.098
bonds (distance) P-C4' energy: -44.016
flat angles C4'-P-C4' energy: -56.955
flat angles P-C4'-P energy: -41.766
tors. eta vs tors. theta energy: -69.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -825.606835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.606835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.606835 (E_RNA)
where:
Base-Base interactions energy: -564.214
where: short stacking energy: -245.510
Base-Backbone interact. energy: -0.803
local terms energy: -260.589769
where:
bonds (distance) C4'-P energy: -46.757
bonds (distance) P-C4' energy: -50.091
flat angles C4'-P-C4' energy: -57.289
flat angles P-C4'-P energy: -36.268
tors. eta vs tors. theta energy: -70.184
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: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -795.450623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.450623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.450623 (E_RNA)
where:
Base-Base interactions energy: -544.417
where: short stacking energy: -239.791
Base-Backbone interact. energy: -0.750
local terms energy: -250.282865
where:
bonds (distance) C4'-P energy: -46.975
bonds (distance) P-C4' energy: -45.941
flat angles C4'-P-C4' energy: -56.014
flat angles P-C4'-P energy: -44.966
tors. eta vs tors. theta energy: -56.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -793.003471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.003471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.003471 (E_RNA)
where:
Base-Base interactions energy: -548.360
where: short stacking energy: -236.641
Base-Backbone interact. energy: -1.982
local terms energy: -242.661431
where:
bonds (distance) C4'-P energy: -42.612
bonds (distance) P-C4' energy: -42.846
flat angles C4'-P-C4' energy: -53.265
flat angles P-C4'-P energy: -28.895
tors. eta vs tors. theta energy: -75.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -758.425085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.425085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.425085 (E_RNA)
where:
Base-Base interactions energy: -517.731
where: short stacking energy: -223.226
Base-Backbone interact. energy: 1.101
local terms energy: -241.795208
where:
bonds (distance) C4'-P energy: -44.716
bonds (distance) P-C4' energy: -47.654
flat angles C4'-P-C4' energy: -51.550
flat angles P-C4'-P energy: -33.765
tors. eta vs tors. theta energy: -64.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -553.458071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.458071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.458071 (E_RNA)
where:
Base-Base interactions energy: -361.266
where: short stacking energy: -164.417
Base-Backbone interact. energy: 1.616
local terms energy: -193.807494
where:
bonds (distance) C4'-P energy: -43.088
bonds (distance) P-C4' energy: -41.262
flat angles C4'-P-C4' energy: -46.518
flat angles P-C4'-P energy: -26.644
tors. eta vs tors. theta energy: -36.296
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: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -398.294701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.294701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.294701 (E_RNA)
where:
Base-Base interactions energy: -233.665
where: short stacking energy: -104.752
Base-Backbone interact. energy: 2.043
local terms energy: -166.672512
where:
bonds (distance) C4'-P energy: -54.204
bonds (distance) P-C4' energy: -49.884
flat angles C4'-P-C4' energy: -31.283
flat angles P-C4'-P energy: -20.161
tors. eta vs tors. theta energy: -11.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -962.251930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.251930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.251930 (E_RNA)
where:
Base-Base interactions energy: -660.690
where: short stacking energy: -269.677
Base-Backbone interact. energy: -0.790
local terms energy: -300.772096
where:
bonds (distance) C4'-P energy: -48.947
bonds (distance) P-C4' energy: -56.283
flat angles C4'-P-C4' energy: -64.391
flat angles P-C4'-P energy: -47.691
tors. eta vs tors. theta energy: -83.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -953.994835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.994835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.994835 (E_RNA)
where:
Base-Base interactions energy: -675.414
where: short stacking energy: -288.451
Base-Backbone interact. energy: -1.265
local terms energy: -277.315602
where:
bonds (distance) C4'-P energy: -48.206
bonds (distance) P-C4' energy: -47.000
flat angles C4'-P-C4' energy: -54.245
flat angles P-C4'-P energy: -41.153
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: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -885.944499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.944499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.944499 (E_RNA)
where:
Base-Base interactions energy: -596.297
where: short stacking energy: -261.408
Base-Backbone interact. energy: -1.271
local terms energy: -288.376195
where:
bonds (distance) C4'-P energy: -56.800
bonds (distance) P-C4' energy: -47.689
flat angles C4'-P-C4' energy: -61.438
flat angles P-C4'-P energy: -42.541
tors. eta vs tors. theta energy: -79.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -849.264478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.264478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.264478 (E_RNA)
where:
Base-Base interactions energy: -578.126
where: short stacking energy: -254.518
Base-Backbone interact. energy: -1.334
local terms energy: -269.804019
where:
bonds (distance) C4'-P energy: -48.879
bonds (distance) P-C4' energy: -53.671
flat angles C4'-P-C4' energy: -57.079
flat angles P-C4'-P energy: -37.901
tors. eta vs tors. theta energy: -72.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -843.741259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.741259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.741259 (E_RNA)
where:
Base-Base interactions energy: -567.794
where: short stacking energy: -257.584
Base-Backbone interact. energy: -0.461
local terms energy: -275.485548
where:
bonds (distance) C4'-P energy: -43.000
bonds (distance) P-C4' energy: -50.600
flat angles C4'-P-C4' energy: -65.655
flat angles P-C4'-P energy: -41.865
tors. eta vs tors. theta energy: -74.365
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: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -805.397803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.397803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.397803 (E_RNA)
where:
Base-Base interactions energy: -562.817
where: short stacking energy: -252.296
Base-Backbone interact. energy: -0.644
local terms energy: -241.936907
where:
bonds (distance) C4'-P energy: -43.514
bonds (distance) P-C4' energy: -32.874
flat angles C4'-P-C4' energy: -55.056
flat angles P-C4'-P energy: -34.634
tors. eta vs tors. theta energy: -75.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -787.764547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.764547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.764547 (E_RNA)
where:
Base-Base interactions energy: -534.993
where: short stacking energy: -224.734
Base-Backbone interact. energy: 0.860
local terms energy: -253.631624
where:
bonds (distance) C4'-P energy: -53.120
bonds (distance) P-C4' energy: -47.764
flat angles C4'-P-C4' energy: -45.227
flat angles P-C4'-P energy: -36.888
tors. eta vs tors. theta energy: -70.632
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: 2
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -730.248221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.248221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.248221 (E_RNA)
where:
Base-Base interactions energy: -498.609
where: short stacking energy: -209.466
Base-Backbone interact. energy: -1.086
local terms energy: -230.553818
where:
bonds (distance) C4'-P energy: -42.457
bonds (distance) P-C4' energy: -41.613
flat angles C4'-P-C4' energy: -54.459
flat angles P-C4'-P energy: -30.554
tors. eta vs tors. theta energy: -61.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -545.649267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.649267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.649267 (E_RNA)
where:
Base-Base interactions energy: -348.286
where: short stacking energy: -151.802
Base-Backbone interact. energy: -0.982
local terms energy: -196.381151
where:
bonds (distance) C4'-P energy: -51.465
bonds (distance) P-C4' energy: -45.333
flat angles C4'-P-C4' energy: -42.083
flat angles P-C4'-P energy: -29.147
tors. eta vs tors. theta energy: -28.353
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: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -400.967956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.967956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.967956 (E_RNA)
where:
Base-Base interactions energy: -236.599
where: short stacking energy: -115.592
Base-Backbone interact. energy: 0.461
local terms energy: -164.829623
where:
bonds (distance) C4'-P energy: -36.716
bonds (distance) P-C4' energy: -41.265
flat angles C4'-P-C4' energy: -41.488
flat angles P-C4'-P energy: -23.898
tors. eta vs tors. theta energy: -21.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -968.319388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.319388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.319388 (E_RNA)
where:
Base-Base interactions energy: -677.201
where: short stacking energy: -294.228
Base-Backbone interact. energy: 0.636
local terms energy: -291.754716
where:
bonds (distance) C4'-P energy: -55.782
bonds (distance) P-C4' energy: -54.618
flat angles C4'-P-C4' energy: -51.474
flat angles P-C4'-P energy: -42.569
tors. eta vs tors. theta energy: -87.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -955.657794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.657794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.657794 (E_RNA)
where:
Base-Base interactions energy: -660.339
where: short stacking energy: -278.031
Base-Backbone interact. energy: -1.967
local terms energy: -293.351562
where:
bonds (distance) C4'-P energy: -52.934
bonds (distance) P-C4' energy: -44.637
flat angles C4'-P-C4' energy: -60.442
flat angles P-C4'-P energy: -50.205
tors. eta vs tors. theta energy: -85.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -871.919418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.919418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.919418 (E_RNA)
where:
Base-Base interactions energy: -618.744
where: short stacking energy: -262.199
Base-Backbone interact. energy: -1.418
local terms energy: -251.757913
where:
bonds (distance) C4'-P energy: -41.705
bonds (distance) P-C4' energy: -44.648
flat angles C4'-P-C4' energy: -54.087
flat angles P-C4'-P energy: -39.887
tors. eta vs tors. theta energy: -71.431
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: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -848.129640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.129640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.129640 (E_RNA)
where:
Base-Base interactions energy: -587.796
where: short stacking energy: -260.866
Base-Backbone interact. energy: -0.394
local terms energy: -259.939185
where:
bonds (distance) C4'-P energy: -49.689
bonds (distance) P-C4' energy: -45.574
flat angles C4'-P-C4' energy: -58.240
flat angles P-C4'-P energy: -35.053
tors. eta vs tors. theta energy: -71.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -834.201714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.201714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.201714 (E_RNA)
where:
Base-Base interactions energy: -585.487
where: short stacking energy: -257.539
Base-Backbone interact. energy: -0.478
local terms energy: -248.237000
where:
bonds (distance) C4'-P energy: -51.050
bonds (distance) P-C4' energy: -39.213
flat angles C4'-P-C4' energy: -51.497
flat angles P-C4'-P energy: -38.908
tors. eta vs tors. theta energy: -67.569
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: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -790.113345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.113345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.113345 (E_RNA)
where:
Base-Base interactions energy: -549.785
where: short stacking energy: -244.092
Base-Backbone interact. energy: -1.067
local terms energy: -239.261715
where:
bonds (distance) C4'-P energy: -45.746
bonds (distance) P-C4' energy: -49.095
flat angles C4'-P-C4' energy: -45.653
flat angles P-C4'-P energy: -25.673
tors. eta vs tors. theta energy: -73.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -753.770705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.770705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.770705 (E_RNA)
where:
Base-Base interactions energy: -520.752
where: short stacking energy: -229.105
Base-Backbone interact. energy: -0.800
local terms energy: -232.219452
where:
bonds (distance) C4'-P energy: -49.647
bonds (distance) P-C4' energy: -47.182
flat angles C4'-P-C4' energy: -48.979
flat angles P-C4'-P energy: -24.691
tors. eta vs tors. theta energy: -61.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -745.650950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.650950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.650950 (E_RNA)
where:
Base-Base interactions energy: -512.774
where: short stacking energy: -206.040
Base-Backbone interact. energy: -0.321
local terms energy: -232.556468
where:
bonds (distance) C4'-P energy: -42.240
bonds (distance) P-C4' energy: -56.253
flat angles C4'-P-C4' energy: -36.295
flat angles P-C4'-P energy: -42.440
tors. eta vs tors. theta energy: -55.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -550.671448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.671448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.671448 (E_RNA)
where:
Base-Base interactions energy: -354.855
where: short stacking energy: -163.701
Base-Backbone interact. energy: -1.036
local terms energy: -194.780240
where:
bonds (distance) C4'-P energy: -29.892
bonds (distance) P-C4' energy: -43.693
flat angles C4'-P-C4' energy: -52.590
flat angles P-C4'-P energy: -33.481
tors. eta vs tors. theta energy: -35.125
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: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -417.072973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.072973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.072973 (E_RNA)
where:
Base-Base interactions energy: -240.189
where: short stacking energy: -113.068
Base-Backbone interact. energy: -1.686
local terms energy: -175.198307
where:
bonds (distance) C4'-P energy: -39.963
bonds (distance) P-C4' energy: -47.395
flat angles C4'-P-C4' energy: -40.647
flat angles P-C4'-P energy: -33.059
tors. eta vs tors. theta energy: -14.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -976.305716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.305716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.305716 (E_RNA)
where:
Base-Base interactions energy: -670.044
where: short stacking energy: -291.688
Base-Backbone interact. energy: -1.182
local terms energy: -305.079106
where:
bonds (distance) C4'-P energy: -57.184
bonds (distance) P-C4' energy: -51.720
flat angles C4'-P-C4' energy: -60.247
flat angles P-C4'-P energy: -42.607
tors. eta vs tors. theta energy: -93.321
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: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -901.501386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.501386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.501386 (E_RNA)
where:
Base-Base interactions energy: -626.004
where: short stacking energy: -276.534
Base-Backbone interact. energy: -1.508
local terms energy: -273.989570
where:
bonds (distance) C4'-P energy: -49.635
bonds (distance) P-C4' energy: -43.115
flat angles C4'-P-C4' energy: -58.968
flat angles P-C4'-P energy: -40.166
tors. eta vs tors. theta energy: -82.105
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: 3, replica: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -901.553684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.553684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.553684 (E_RNA)
where:
Base-Base interactions energy: -622.039
where: short stacking energy: -256.376
Base-Backbone interact. energy: 0.322
local terms energy: -279.836600
where:
bonds (distance) C4'-P energy: -46.144
bonds (distance) P-C4' energy: -51.323
flat angles C4'-P-C4' energy: -54.285
flat angles P-C4'-P energy: -47.167
tors. eta vs tors. theta energy: -80.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -850.177750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.177750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.177750 (E_RNA)
where:
Base-Base interactions energy: -583.123
where: short stacking energy: -249.939
Base-Backbone interact. energy: -1.019
local terms energy: -266.035217
where:
bonds (distance) C4'-P energy: -52.406
bonds (distance) P-C4' energy: -48.999
flat angles C4'-P-C4' energy: -58.133
flat angles P-C4'-P energy: -37.054
tors. eta vs tors. theta energy: -69.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -813.427544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.427544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.427544 (E_RNA)
where:
Base-Base interactions energy: -574.715
where: short stacking energy: -248.112
Base-Backbone interact. energy: -0.841
local terms energy: -237.870728
where:
bonds (distance) C4'-P energy: -34.446
bonds (distance) P-C4' energy: -39.935
flat angles C4'-P-C4' energy: -57.313
flat angles P-C4'-P energy: -36.966
tors. eta vs tors. theta energy: -69.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -806.580193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.580193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.580193 (E_RNA)
where:
Base-Base interactions energy: -565.248
where: short stacking energy: -248.583
Base-Backbone interact. energy: -0.205
local terms energy: -241.127479
where:
bonds (distance) C4'-P energy: -43.236
bonds (distance) P-C4' energy: -46.125
flat angles C4'-P-C4' energy: -53.109
flat angles P-C4'-P energy: -30.958
tors. eta vs tors. theta energy: -67.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -779.935564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.935564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.935564 (E_RNA)
where:
Base-Base interactions energy: -543.454
where: short stacking energy: -228.990
Base-Backbone interact. energy: -0.739
local terms energy: -235.742378
where:
bonds (distance) C4'-P energy: -35.196
bonds (distance) P-C4' energy: -56.074
flat angles C4'-P-C4' energy: -49.351
flat angles P-C4'-P energy: -33.148
tors. eta vs tors. theta energy: -61.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -765.165531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.165531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.165531 (E_RNA)
where:
Base-Base interactions energy: -542.241
where: short stacking energy: -228.501
Base-Backbone interact. energy: -1.486
local terms energy: -221.439085
where:
bonds (distance) C4'-P energy: -37.517
bonds (distance) P-C4' energy: -41.267
flat angles C4'-P-C4' energy: -51.315
flat angles P-C4'-P energy: -32.462
tors. eta vs tors. theta energy: -58.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -581.812253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.812253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.812253 (E_RNA)
where:
Base-Base interactions energy: -392.356
where: short stacking energy: -176.891
Base-Backbone interact. energy: -0.802
local terms energy: -188.653894
where:
bonds (distance) C4'-P energy: -31.216
bonds (distance) P-C4' energy: -37.830
flat angles C4'-P-C4' energy: -43.219
flat angles P-C4'-P energy: -25.891
tors. eta vs tors. theta energy: -50.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -385.836422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.836422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.836422 (E_RNA)
where:
Base-Base interactions energy: -238.649
where: short stacking energy: -95.775
Base-Backbone interact. energy: 1.422
local terms energy: -148.610145
where:
bonds (distance) C4'-P energy: -31.837
bonds (distance) P-C4' energy: -49.686
flat angles C4'-P-C4' energy: -26.289
flat angles P-C4'-P energy: -31.667
tors. eta vs tors. theta energy: -9.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -961.473441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.473441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.473441 (E_RNA)
where:
Base-Base interactions energy: -675.639
where: short stacking energy: -289.832
Base-Backbone interact. energy: -1.134
local terms energy: -284.700387
where:
bonds (distance) C4'-P energy: -50.124
bonds (distance) P-C4' energy: -47.037
flat angles C4'-P-C4' energy: -57.238
flat angles P-C4'-P energy: -42.540
tors. eta vs tors. theta energy: -87.762
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: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -910.854081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.854081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.854081 (E_RNA)
where:
Base-Base interactions energy: -621.992
where: short stacking energy: -289.693
Base-Backbone interact. energy: -1.822
local terms energy: -287.040339
where:
bonds (distance) C4'-P energy: -55.186
bonds (distance) P-C4' energy: -47.861
flat angles C4'-P-C4' energy: -63.730
flat angles P-C4'-P energy: -34.572
tors. eta vs tors. theta energy: -85.691
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: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -869.670356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.670356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.670356 (E_RNA)
where:
Base-Base interactions energy: -595.979
where: short stacking energy: -266.101
Base-Backbone interact. energy: -0.907
local terms energy: -272.784259
where:
bonds (distance) C4'-P energy: -52.456
bonds (distance) P-C4' energy: -51.159
flat angles C4'-P-C4' energy: -51.138
flat angles P-C4'-P energy: -33.673
tors. eta vs tors. theta energy: -84.358
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: 4, replica: 4
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -881.216699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.216699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.216699 (E_RNA)
where:
Base-Base interactions energy: -604.305
where: short stacking energy: -232.546
Base-Backbone interact. energy: 1.489
local terms energy: -278.400286
where:
bonds (distance) C4'-P energy: -54.756
bonds (distance) P-C4' energy: -54.145
flat angles C4'-P-C4' energy: -56.115
flat angles P-C4'-P energy: -38.816
tors. eta vs tors. theta energy: -74.568
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: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -836.228536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.228536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.228536 (E_RNA)
where:
Base-Base interactions energy: -580.118
where: short stacking energy: -266.389
Base-Backbone interact. energy: -0.895
local terms energy: -255.215905
where:
bonds (distance) C4'-P energy: -47.361
bonds (distance) P-C4' energy: -37.165
flat angles C4'-P-C4' energy: -59.069
flat angles P-C4'-P energy: -36.949
tors. eta vs tors. theta energy: -74.671
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: 212
Temperature: 1.150000
Total energy: -791.354926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.354926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.354926 (E_RNA)
where:
Base-Base interactions energy: -549.652
where: short stacking energy: -233.124
Base-Backbone interact. energy: -0.702
local terms energy: -241.000879
where:
bonds (distance) C4'-P energy: -54.219
bonds (distance) P-C4' energy: -44.506
flat angles C4'-P-C4' energy: -39.972
flat angles P-C4'-P energy: -27.907
tors. eta vs tors. theta energy: -74.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -783.363132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.363132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.363132 (E_RNA)
where:
Base-Base interactions energy: -541.644
where: short stacking energy: -232.650
Base-Backbone interact. energy: -0.177
local terms energy: -241.542353
where:
bonds (distance) C4'-P energy: -45.834
bonds (distance) P-C4' energy: -44.593
flat angles C4'-P-C4' energy: -52.218
flat angles P-C4'-P energy: -35.704
tors. eta vs tors. theta energy: -63.193
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: 2
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -766.919053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.919053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.919053 (E_RNA)
where:
Base-Base interactions energy: -540.582
where: short stacking energy: -234.354
Base-Backbone interact. energy: -0.939
local terms energy: -225.398129
where:
bonds (distance) C4'-P energy: -49.354
bonds (distance) P-C4' energy: -36.470
flat angles C4'-P-C4' energy: -49.953
flat angles P-C4'-P energy: -27.463
tors. eta vs tors. theta energy: -62.158
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: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -594.092159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.092159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.092159 (E_RNA)
where:
Base-Base interactions energy: -385.985
where: short stacking energy: -178.525
Base-Backbone interact. energy: -0.223
local terms energy: -207.884179
where:
bonds (distance) C4'-P energy: -42.879
bonds (distance) P-C4' energy: -37.759
flat angles C4'-P-C4' energy: -44.548
flat angles P-C4'-P energy: -33.584
tors. eta vs tors. theta energy: -49.114
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: 212
Temperature: 1.350000
Total energy: -387.039014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.039014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.039014 (E_RNA)
where:
Base-Base interactions energy: -242.525
where: short stacking energy: -105.614
Base-Backbone interact. energy: -0.907
local terms energy: -143.607347
where:
bonds (distance) C4'-P energy: -38.193
bonds (distance) P-C4' energy: -43.271
flat angles C4'-P-C4' energy: -43.459
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -4.891
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: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -961.812302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.812302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.812302 (E_RNA)
where:
Base-Base interactions energy: -668.810
where: short stacking energy: -284.782
Base-Backbone interact. energy: -1.426
local terms energy: -291.577144
where:
bonds (distance) C4'-P energy: -50.809
bonds (distance) P-C4' energy: -51.573
flat angles C4'-P-C4' energy: -62.046
flat angles P-C4'-P energy: -43.199
tors. eta vs tors. theta energy: -83.950
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: 7
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -911.490071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.490071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.490071 (E_RNA)
where:
Base-Base interactions energy: -628.879
where: short stacking energy: -284.651
Base-Backbone interact. energy: -0.673
local terms energy: -281.938075
where:
bonds (distance) C4'-P energy: -45.777
bonds (distance) P-C4' energy: -50.028
flat angles C4'-P-C4' energy: -61.898
flat angles P-C4'-P energy: -41.177
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: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -865.827169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.827169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.827169 (E_RNA)
where:
Base-Base interactions energy: -591.049
where: short stacking energy: -259.058
Base-Backbone interact. energy: -0.273
local terms energy: -274.505444
where:
bonds (distance) C4'-P energy: -41.277
bonds (distance) P-C4' energy: -53.920
flat angles C4'-P-C4' energy: -63.920
flat angles P-C4'-P energy: -35.384
tors. eta vs tors. theta energy: -80.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -874.069165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.069165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.069165 (E_RNA)
where:
Base-Base interactions energy: -584.670
where: short stacking energy: -250.099
Base-Backbone interact. energy: -1.847
local terms energy: -287.552963
where:
bonds (distance) C4'-P energy: -50.640
bonds (distance) P-C4' energy: -57.747
flat angles C4'-P-C4' energy: -56.866
flat angles P-C4'-P energy: -41.572
tors. eta vs tors. theta energy: -80.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -819.098162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.098162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.098162 (E_RNA)
where:
Base-Base interactions energy: -549.730
where: short stacking energy: -235.531
Base-Backbone interact. energy: -0.506
local terms energy: -268.862143
where:
bonds (distance) C4'-P energy: -50.261
bonds (distance) P-C4' energy: -44.504
flat angles C4'-P-C4' energy: -61.276
flat angles P-C4'-P energy: -43.324
tors. eta vs tors. theta energy: -69.498
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: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -788.380886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.380886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.380886 (E_RNA)
where:
Base-Base interactions energy: -548.541
where: short stacking energy: -232.506
Base-Backbone interact. energy: 0.815
local terms energy: -240.654899
where:
bonds (distance) C4'-P energy: -37.021
bonds (distance) P-C4' energy: -46.777
flat angles C4'-P-C4' energy: -53.941
flat angles P-C4'-P energy: -35.980
tors. eta vs tors. theta energy: -66.937
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: 5
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -775.025274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.025274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.025274 (E_RNA)
where:
Base-Base interactions energy: -536.384
where: short stacking energy: -227.711
Base-Backbone interact. energy: -0.649
local terms energy: -237.991923
where:
bonds (distance) C4'-P energy: -45.909
bonds (distance) P-C4' energy: -44.771
flat angles C4'-P-C4' energy: -52.691
flat angles P-C4'-P energy: -33.913
tors. eta vs tors. theta energy: -60.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -730.247268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.247268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.247268 (E_RNA)
where:
Base-Base interactions energy: -517.912
where: short stacking energy: -210.133
Base-Backbone interact. energy: -1.019
local terms energy: -211.315693
where:
bonds (distance) C4'-P energy: -46.412
bonds (distance) P-C4' energy: -34.091
flat angles C4'-P-C4' energy: -54.841
flat angles P-C4'-P energy: -30.704
tors. eta vs tors. theta energy: -45.268
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: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -605.371908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.371908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.371908 (E_RNA)
where:
Base-Base interactions energy: -402.382
where: short stacking energy: -187.257
Base-Backbone interact. energy: 0.970
local terms energy: -203.960110
where:
bonds (distance) C4'-P energy: -44.109
bonds (distance) P-C4' energy: -36.697
flat angles C4'-P-C4' energy: -43.926
flat angles P-C4'-P energy: -28.228
tors. eta vs tors. theta energy: -50.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -375.221615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.221615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.221615 (E_RNA)
where:
Base-Base interactions energy: -201.288
where: short stacking energy: -101.642
Base-Backbone interact. energy: -1.061
local terms energy: -172.872729
where:
bonds (distance) C4'-P energy: -44.791
bonds (distance) P-C4' energy: -51.665
flat angles C4'-P-C4' energy: -36.367
flat angles P-C4'-P energy: -30.280
tors. eta vs tors. theta energy: -9.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -958.414245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.414245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.414245 (E_RNA)
where:
Base-Base interactions energy: -669.252
where: short stacking energy: -280.236
Base-Backbone interact. energy: -1.214
local terms energy: -287.948050
where:
bonds (distance) C4'-P energy: -55.838
bonds (distance) P-C4' energy: -49.962
flat angles C4'-P-C4' energy: -58.040
flat angles P-C4'-P energy: -45.816
tors. eta vs tors. theta energy: -78.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -911.598275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.598275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.598275 (E_RNA)
where:
Base-Base interactions energy: -641.297
where: short stacking energy: -276.413
Base-Backbone interact. energy: 0.367
local terms energy: -270.668261
where:
bonds (distance) C4'-P energy: -44.244
bonds (distance) P-C4' energy: -46.097
flat angles C4'-P-C4' energy: -58.739
flat angles P-C4'-P energy: -40.647
tors. eta vs tors. theta energy: -80.941
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: 214
Temperature: 1.000000
Total energy: -861.157312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.157312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.157312 (E_RNA)
where:
Base-Base interactions energy: -585.941
where: short stacking energy: -267.943
Base-Backbone interact. energy: 0.361
local terms energy: -275.577946
where:
bonds (distance) C4'-P energy: -44.318
bonds (distance) P-C4' energy: -58.353
flat angles C4'-P-C4' energy: -59.707
flat angles P-C4'-P energy: -37.661
tors. eta vs tors. theta energy: -75.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -877.191103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.191103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.191103 (E_RNA)
where:
Base-Base interactions energy: -624.895
where: short stacking energy: -258.428
Base-Backbone interact. energy: -0.021
local terms energy: -252.275717
where:
bonds (distance) C4'-P energy: -46.932
bonds (distance) P-C4' energy: -37.338
flat angles C4'-P-C4' energy: -54.522
flat angles P-C4'-P energy: -40.992
tors. eta vs tors. theta energy: -72.492
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: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -815.555704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.555704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.555704 (E_RNA)
where:
Base-Base interactions energy: -543.772
where: short stacking energy: -228.573
Base-Backbone interact. energy: -0.885
local terms energy: -270.898444
where:
bonds (distance) C4'-P energy: -51.256
bonds (distance) P-C4' energy: -55.569
flat angles C4'-P-C4' energy: -55.415
flat angles P-C4'-P energy: -37.460
tors. eta vs tors. theta energy: -71.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -806.015826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.015826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.015826 (E_RNA)
where:
Base-Base interactions energy: -558.926
where: short stacking energy: -231.569
Base-Backbone interact. energy: -0.918
local terms energy: -246.171611
where:
bonds (distance) C4'-P energy: -45.817
bonds (distance) P-C4' energy: -44.539
flat angles C4'-P-C4' energy: -50.575
flat angles P-C4'-P energy: -38.189
tors. eta vs tors. theta energy: -67.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -786.389808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.389808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.389808 (E_RNA)
where:
Base-Base interactions energy: -548.075
where: short stacking energy: -219.571
Base-Backbone interact. energy: 3.051
local terms energy: -241.366412
where:
bonds (distance) C4'-P energy: -39.673
bonds (distance) P-C4' energy: -47.444
flat angles C4'-P-C4' energy: -56.324
flat angles P-C4'-P energy: -33.775
tors. eta vs tors. theta energy: -64.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -703.285091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.285091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.285091 (E_RNA)
where:
Base-Base interactions energy: -476.719
where: short stacking energy: -185.681
Base-Backbone interact. energy: 1.176
local terms energy: -227.742271
where:
bonds (distance) C4'-P energy: -42.407
bonds (distance) P-C4' energy: -46.246
flat angles C4'-P-C4' energy: -54.348
flat angles P-C4'-P energy: -31.132
tors. eta vs tors. theta energy: -53.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -588.444130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.444130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.444130 (E_RNA)
where:
Base-Base interactions energy: -383.541
where: short stacking energy: -174.172
Base-Backbone interact. energy: -0.626
local terms energy: -204.277355
where:
bonds (distance) C4'-P energy: -33.376
bonds (distance) P-C4' energy: -46.332
flat angles C4'-P-C4' energy: -55.744
flat angles P-C4'-P energy: -25.740
tors. eta vs tors. theta energy: -43.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -344.743540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.743540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.743540 (E_RNA)
where:
Base-Base interactions energy: -172.242
where: short stacking energy: -98.426
Base-Backbone interact. energy: -0.356
local terms energy: -172.145776
where:
bonds (distance) C4'-P energy: -54.081
bonds (distance) P-C4' energy: -43.111
flat angles C4'-P-C4' energy: -41.223
flat angles P-C4'-P energy: -26.764
tors. eta vs tors. theta energy: -6.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -972.671838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.671838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.671838 (E_RNA)
where:
Base-Base interactions energy: -675.424
where: short stacking energy: -302.689
Base-Backbone interact. energy: -0.356
local terms energy: -296.892731
where:
bonds (distance) C4'-P energy: -53.015
bonds (distance) P-C4' energy: -49.498
flat angles C4'-P-C4' energy: -62.683
flat angles P-C4'-P energy: -43.404
tors. eta vs tors. theta energy: -88.294
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: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -920.644802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.644802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.644802 (E_RNA)
where:
Base-Base interactions energy: -638.799
where: short stacking energy: -276.871
Base-Backbone interact. energy: -0.248
local terms energy: -281.597487
where:
bonds (distance) C4'-P energy: -39.465
bonds (distance) P-C4' energy: -54.287
flat angles C4'-P-C4' energy: -61.688
flat angles P-C4'-P energy: -44.894
tors. eta vs tors. theta energy: -81.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -872.035544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.035544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.035544 (E_RNA)
where:
Base-Base interactions energy: -600.667
where: short stacking energy: -274.630
Base-Backbone interact. energy: -1.604
local terms energy: -269.764426
where:
bonds (distance) C4'-P energy: -54.065
bonds (distance) P-C4' energy: -49.833
flat angles C4'-P-C4' energy: -54.283
flat angles P-C4'-P energy: -35.639
tors. eta vs tors. theta energy: -75.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -860.674369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.674369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.674369 (E_RNA)
where:
Base-Base interactions energy: -595.317
where: short stacking energy: -267.296
Base-Backbone interact. energy: -0.060
local terms energy: -265.297687
where:
bonds (distance) C4'-P energy: -49.352
bonds (distance) P-C4' energy: -47.664
flat angles C4'-P-C4' energy: -54.762
flat angles P-C4'-P energy: -38.933
tors. eta vs tors. theta energy: -74.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -849.159487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.159487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.159487 (E_RNA)
where:
Base-Base interactions energy: -603.249
where: short stacking energy: -236.390
Base-Backbone interact. energy: 1.442
local terms energy: -247.352160
where:
bonds (distance) C4'-P energy: -54.470
bonds (distance) P-C4' energy: -45.525
flat angles C4'-P-C4' energy: -50.886
flat angles P-C4'-P energy: -28.387
tors. eta vs tors. theta energy: -68.084
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: 5
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -818.254159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.254159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.254159 (E_RNA)
where:
Base-Base interactions energy: -551.948
where: short stacking energy: -244.202
Base-Backbone interact. energy: -0.662
local terms energy: -265.643881
where:
bonds (distance) C4'-P energy: -45.275
bonds (distance) P-C4' energy: -50.116
flat angles C4'-P-C4' energy: -56.430
flat angles P-C4'-P energy: -38.190
tors. eta vs tors. theta energy: -75.634
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: 6
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -769.554366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.554366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.554366 (E_RNA)
where:
Base-Base interactions energy: -533.992
where: short stacking energy: -221.874
Base-Backbone interact. energy: -1.147
local terms energy: -234.415445
where:
bonds (distance) C4'-P energy: -43.511
bonds (distance) P-C4' energy: -50.669
flat angles C4'-P-C4' energy: -55.496
flat angles P-C4'-P energy: -29.596
tors. eta vs tors. theta energy: -55.144
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: 2
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -706.048497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.048497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.048497 (E_RNA)
where:
Base-Base interactions energy: -478.565
where: short stacking energy: -183.455
Base-Backbone interact. energy: -0.621
local terms energy: -226.862179
where:
bonds (distance) C4'-P energy: -45.288
bonds (distance) P-C4' energy: -51.934
flat angles C4'-P-C4' energy: -48.258
flat angles P-C4'-P energy: -32.329
tors. eta vs tors. theta energy: -49.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -593.728958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.728958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.728958 (E_RNA)
where:
Base-Base interactions energy: -377.532
where: short stacking energy: -168.462
Base-Backbone interact. energy: -0.225
local terms energy: -215.972452
where:
bonds (distance) C4'-P energy: -48.430
bonds (distance) P-C4' energy: -41.142
flat angles C4'-P-C4' energy: -51.136
flat angles P-C4'-P energy: -30.675
tors. eta vs tors. theta energy: -44.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -384.815193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.815193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.815193 (E_RNA)
where:
Base-Base interactions energy: -217.671
where: short stacking energy: -103.773
Base-Backbone interact. energy: 0.671
local terms energy: -167.814648
where:
bonds (distance) C4'-P energy: -43.437
bonds (distance) P-C4' energy: -46.897
flat angles C4'-P-C4' energy: -42.784
flat angles P-C4'-P energy: -23.256
tors. eta vs tors. theta energy: -11.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -965.219781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.219781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.219781 (E_RNA)
where:
Base-Base interactions energy: -662.065
where: short stacking energy: -300.183
Base-Backbone interact. energy: -0.609
local terms energy: -302.545849
where:
bonds (distance) C4'-P energy: -57.047
bonds (distance) P-C4' energy: -49.601
flat angles C4'-P-C4' energy: -61.698
flat angles P-C4'-P energy: -43.463
tors. eta vs tors. theta energy: -90.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -888.300855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.300855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.300855 (E_RNA)
where:
Base-Base interactions energy: -607.845
where: short stacking energy: -275.561
Base-Backbone interact. energy: 0.074
local terms energy: -280.529072
where:
bonds (distance) C4'-P energy: -52.082
bonds (distance) P-C4' energy: -45.019
flat angles C4'-P-C4' energy: -64.523
flat angles P-C4'-P energy: -39.476
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: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -865.672594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.672594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.672594 (E_RNA)
where:
Base-Base interactions energy: -598.563
where: short stacking energy: -258.869
Base-Backbone interact. energy: 0.718
local terms energy: -267.827859
where:
bonds (distance) C4'-P energy: -49.453
bonds (distance) P-C4' energy: -50.489
flat angles C4'-P-C4' energy: -53.417
flat angles P-C4'-P energy: -40.984
tors. eta vs tors. theta energy: -73.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -874.092529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.092529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.092529 (E_RNA)
where:
Base-Base interactions energy: -604.607
where: short stacking energy: -274.526
Base-Backbone interact. energy: -1.610
local terms energy: -267.875124
where:
bonds (distance) C4'-P energy: -46.409
bonds (distance) P-C4' energy: -44.867
flat angles C4'-P-C4' energy: -62.318
flat angles P-C4'-P energy: -37.457
tors. eta vs tors. theta energy: -76.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -855.923028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.923028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.923028 (E_RNA)
where:
Base-Base interactions energy: -608.759
where: short stacking energy: -237.339
Base-Backbone interact. energy: 0.746
local terms energy: -247.909967
where:
bonds (distance) C4'-P energy: -45.065
bonds (distance) P-C4' energy: -50.584
flat angles C4'-P-C4' energy: -55.944
flat angles P-C4'-P energy: -29.281
tors. eta vs tors. theta energy: -67.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -806.095207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.095207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.095207 (E_RNA)
where:
Base-Base interactions energy: -579.036
where: short stacking energy: -245.148
Base-Backbone interact. energy: -0.583
local terms energy: -226.476476
where:
bonds (distance) C4'-P energy: -36.049
bonds (distance) P-C4' energy: -35.130
flat angles C4'-P-C4' energy: -48.858
flat angles P-C4'-P energy: -35.460
tors. eta vs tors. theta energy: -70.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -728.057329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.057329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.057329 (E_RNA)
where:
Base-Base interactions energy: -500.249
where: short stacking energy: -225.642
Base-Backbone interact. energy: -0.653
local terms energy: -227.155835
where:
bonds (distance) C4'-P energy: -45.901
bonds (distance) P-C4' energy: -44.637
flat angles C4'-P-C4' energy: -44.138
flat angles P-C4'-P energy: -35.561
tors. eta vs tors. theta energy: -56.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -753.878780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.878780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.878780 (E_RNA)
where:
Base-Base interactions energy: -528.715
where: short stacking energy: -218.878
Base-Backbone interact. energy: -0.400
local terms energy: -224.763581
where:
bonds (distance) C4'-P energy: -51.738
bonds (distance) P-C4' energy: -30.067
flat angles C4'-P-C4' energy: -53.199
flat angles P-C4'-P energy: -27.686
tors. eta vs tors. theta energy: -62.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -622.947933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.947933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.947933 (E_RNA)
where:
Base-Base interactions energy: -393.311
where: short stacking energy: -184.002
Base-Backbone interact. energy: -0.281
local terms energy: -229.356376
where:
bonds (distance) C4'-P energy: -51.221
bonds (distance) P-C4' energy: -49.196
flat angles C4'-P-C4' energy: -52.342
flat angles P-C4'-P energy: -25.971
tors. eta vs tors. theta energy: -50.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -342.305387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.305387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.305387 (E_RNA)
where:
Base-Base interactions energy: -176.256
where: short stacking energy: -98.307
Base-Backbone interact. energy: 0.804
local terms energy: -166.852923
where:
bonds (distance) C4'-P energy: -36.550
bonds (distance) P-C4' energy: -56.489
flat angles C4'-P-C4' energy: -30.598
flat angles P-C4'-P energy: -31.233
tors. eta vs tors. theta energy: -11.982
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: 9
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -980.284288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.284288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.284288 (E_RNA)
where:
Base-Base interactions energy: -677.665
where: short stacking energy: -301.898
Base-Backbone interact. energy: -0.369
local terms energy: -302.250542
where:
bonds (distance) C4'-P energy: -60.381
bonds (distance) P-C4' energy: -48.131
flat angles C4'-P-C4' energy: -59.784
flat angles P-C4'-P energy: -40.846
tors. eta vs tors. theta energy: -93.109
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: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -911.342796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.342796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.342796 (E_RNA)
where:
Base-Base interactions energy: -611.627
where: short stacking energy: -283.041
Base-Backbone interact. energy: -1.022
local terms energy: -298.693337
where:
bonds (distance) C4'-P energy: -54.730
bonds (distance) P-C4' energy: -57.699
flat angles C4'-P-C4' energy: -57.236
flat angles P-C4'-P energy: -43.330
tors. eta vs tors. theta energy: -85.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -859.482769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.482769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.482769 (E_RNA)
where:
Base-Base interactions energy: -619.404
where: short stacking energy: -266.893
Base-Backbone interact. energy: -3.558
local terms energy: -236.520292
where:
bonds (distance) C4'-P energy: -32.390
bonds (distance) P-C4' energy: -45.182
flat angles C4'-P-C4' energy: -56.231
flat angles P-C4'-P energy: -30.616
tors. eta vs tors. theta energy: -72.102
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: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -883.954691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.954691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.954691 (E_RNA)
where:
Base-Base interactions energy: -606.687
where: short stacking energy: -256.798
Base-Backbone interact. energy: -1.283
local terms energy: -275.985345
where:
bonds (distance) C4'-P energy: -50.121
bonds (distance) P-C4' energy: -45.484
flat angles C4'-P-C4' energy: -55.883
flat angles P-C4'-P energy: -42.982
tors. eta vs tors. theta energy: -81.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -836.112531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.112531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.112531 (E_RNA)
where:
Base-Base interactions energy: -584.327
where: short stacking energy: -251.947
Base-Backbone interact. energy: 0.121
local terms energy: -251.906292
where:
bonds (distance) C4'-P energy: -38.090
bonds (distance) P-C4' energy: -48.610
flat angles C4'-P-C4' energy: -54.385
flat angles P-C4'-P energy: -43.975
tors. eta vs tors. theta energy: -66.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -795.368311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.368311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.368311 (E_RNA)
where:
Base-Base interactions energy: -531.301
where: short stacking energy: -231.785
Base-Backbone interact. energy: -0.531
local terms energy: -263.536444
where:
bonds (distance) C4'-P energy: -46.796
bonds (distance) P-C4' energy: -49.949
flat angles C4'-P-C4' energy: -54.253
flat angles P-C4'-P energy: -41.757
tors. eta vs tors. theta energy: -70.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -730.267170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.267170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.267170 (E_RNA)
where:
Base-Base interactions energy: -494.728
where: short stacking energy: -214.471
Base-Backbone interact. energy: -0.605
local terms energy: -234.935037
where:
bonds (distance) C4'-P energy: -41.584
bonds (distance) P-C4' energy: -45.975
flat angles C4'-P-C4' energy: -51.901
flat angles P-C4'-P energy: -37.834
tors. eta vs tors. theta energy: -57.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -711.221257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.221257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.221257 (E_RNA)
where:
Base-Base interactions energy: -491.972
where: short stacking energy: -207.223
Base-Backbone interact. energy: -0.218
local terms energy: -219.031357
where:
bonds (distance) C4'-P energy: -39.374
bonds (distance) P-C4' energy: -57.182
flat angles C4'-P-C4' energy: -41.795
flat angles P-C4'-P energy: -22.375
tors. eta vs tors. theta energy: -58.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -600.569167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.569167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.569167 (E_RNA)
where:
Base-Base interactions energy: -383.459
where: short stacking energy: -168.222
Base-Backbone interact. energy: -0.348
local terms energy: -216.762654
where:
bonds (distance) C4'-P energy: -48.621
bonds (distance) P-C4' energy: -44.554
flat angles C4'-P-C4' energy: -55.126
flat angles P-C4'-P energy: -22.927
tors. eta vs tors. theta energy: -45.535
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: 217
Temperature: 1.350000
Total energy: -349.712633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.712633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.712633 (E_RNA)
where:
Base-Base interactions energy: -197.874
where: short stacking energy: -95.636
Base-Backbone interact. energy: -1.232
local terms energy: -150.607005
where:
bonds (distance) C4'-P energy: -40.126
bonds (distance) P-C4' energy: -34.923
flat angles C4'-P-C4' energy: -38.939
flat angles P-C4'-P energy: -29.950
tors. eta vs tors. theta energy: -6.670
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: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -966.193083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.193083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.193083 (E_RNA)
where:
Base-Base interactions energy: -661.334
where: short stacking energy: -294.833
Base-Backbone interact. energy: -1.203
local terms energy: -303.655990
where:
bonds (distance) C4'-P energy: -50.875
bonds (distance) P-C4' energy: -52.883
flat angles C4'-P-C4' energy: -63.105
flat angles P-C4'-P energy: -46.646
tors. eta vs tors. theta energy: -90.147
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: 2, replica: 7
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -902.735412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.735412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.735412 (E_RNA)
where:
Base-Base interactions energy: -620.538
where: short stacking energy: -270.230
Base-Backbone interact. energy: -2.464
local terms energy: -279.733767
where:
bonds (distance) C4'-P energy: -49.027
bonds (distance) P-C4' energy: -52.187
flat angles C4'-P-C4' energy: -62.241
flat angles P-C4'-P energy: -37.522
tors. eta vs tors. theta energy: -78.756
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: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -854.829505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.829505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.829505 (E_RNA)
where:
Base-Base interactions energy: -581.377
where: short stacking energy: -265.265
Base-Backbone interact. energy: -0.118
local terms energy: -273.334206
where:
bonds (distance) C4'-P energy: -52.273
bonds (distance) P-C4' energy: -52.362
flat angles C4'-P-C4' energy: -59.934
flat angles P-C4'-P energy: -36.210
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: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -886.003191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.003191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.003191 (E_RNA)
where:
Base-Base interactions energy: -628.300
where: short stacking energy: -260.185
Base-Backbone interact. energy: 0.310
local terms energy: -258.013194
where:
bonds (distance) C4'-P energy: -39.851
bonds (distance) P-C4' energy: -56.590
flat angles C4'-P-C4' energy: -51.123
flat angles P-C4'-P energy: -42.798
tors. eta vs tors. theta energy: -67.651
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: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -840.457382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.457382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.457382 (E_RNA)
where:
Base-Base interactions energy: -579.652
where: short stacking energy: -251.985
Base-Backbone interact. energy: -0.310
local terms energy: -260.495619
where:
bonds (distance) C4'-P energy: -44.139
bonds (distance) P-C4' energy: -51.196
flat angles C4'-P-C4' energy: -50.998
flat angles P-C4'-P energy: -39.908
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: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -795.044760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.044760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.044760 (E_RNA)
where:
Base-Base interactions energy: -542.774
where: short stacking energy: -230.463
Base-Backbone interact. energy: -0.371
local terms energy: -251.900007
where:
bonds (distance) C4'-P energy: -42.059
bonds (distance) P-C4' energy: -53.149
flat angles C4'-P-C4' energy: -53.901
flat angles P-C4'-P energy: -46.110
tors. eta vs tors. theta energy: -56.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -724.979174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.979174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.979174 (E_RNA)
where:
Base-Base interactions energy: -496.154
where: short stacking energy: -201.560
Base-Backbone interact. energy: -1.051
local terms energy: -227.774426
where:
bonds (distance) C4'-P energy: -41.883
bonds (distance) P-C4' energy: -53.266
flat angles C4'-P-C4' energy: -47.980
flat angles P-C4'-P energy: -29.873
tors. eta vs tors. theta energy: -54.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -746.479263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.479263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.479263 (E_RNA)
where:
Base-Base interactions energy: -497.381
where: short stacking energy: -221.950
Base-Backbone interact. energy: -1.392
local terms energy: -247.706224
where:
bonds (distance) C4'-P energy: -49.650
bonds (distance) P-C4' energy: -49.191
flat angles C4'-P-C4' energy: -52.095
flat angles P-C4'-P energy: -34.481
tors. eta vs tors. theta energy: -62.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -582.305690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.305690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.305690 (E_RNA)
where:
Base-Base interactions energy: -372.612
where: short stacking energy: -166.835
Base-Backbone interact. energy: -0.214
local terms energy: -209.480406
where:
bonds (distance) C4'-P energy: -44.703
bonds (distance) P-C4' energy: -49.960
flat angles C4'-P-C4' energy: -33.397
flat angles P-C4'-P energy: -38.017
tors. eta vs tors. theta energy: -43.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -410.939014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.939014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.939014 (E_RNA)
where:
Base-Base interactions energy: -250.431
where: short stacking energy: -108.065
Base-Backbone interact. energy: 2.820
local terms energy: -163.328448
where:
bonds (distance) C4'-P energy: -34.844
bonds (distance) P-C4' energy: -37.658
flat angles C4'-P-C4' energy: -37.009
flat angles P-C4'-P energy: -35.656
tors. eta vs tors. theta energy: -18.162
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: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -969.034124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.034124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.034124 (E_RNA)
where:
Base-Base interactions energy: -671.048
where: short stacking energy: -288.613
Base-Backbone interact. energy: -1.136
local terms energy: -296.850603
where:
bonds (distance) C4'-P energy: -50.497
bonds (distance) P-C4' energy: -57.298
flat angles C4'-P-C4' energy: -60.501
flat angles P-C4'-P energy: -40.212
tors. eta vs tors. theta energy: -88.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -895.256883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.256883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.256883 (E_RNA)
where:
Base-Base interactions energy: -609.700
where: short stacking energy: -277.420
Base-Backbone interact. energy: -0.167
local terms energy: -285.390531
where:
bonds (distance) C4'-P energy: -45.702
bonds (distance) P-C4' energy: -54.202
flat angles C4'-P-C4' energy: -57.311
flat angles P-C4'-P energy: -48.087
tors. eta vs tors. theta energy: -80.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -870.558665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.558665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.558665 (E_RNA)
where:
Base-Base interactions energy: -614.230
where: short stacking energy: -262.017
Base-Backbone interact. energy: 0.716
local terms energy: -257.044786
where:
bonds (distance) C4'-P energy: -42.632
bonds (distance) P-C4' energy: -48.946
flat angles C4'-P-C4' energy: -56.128
flat angles P-C4'-P energy: -36.865
tors. eta vs tors. theta energy: -72.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -873.560547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.560547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.560547 (E_RNA)
where:
Base-Base interactions energy: -611.546
where: short stacking energy: -248.909
Base-Backbone interact. energy: -1.957
local terms energy: -260.057610
where:
bonds (distance) C4'-P energy: -38.832
bonds (distance) P-C4' energy: -44.732
flat angles C4'-P-C4' energy: -57.846
flat angles P-C4'-P energy: -43.669
tors. eta vs tors. theta energy: -74.978
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: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -840.574411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.574411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.574411 (E_RNA)
where:
Base-Base interactions energy: -564.515
where: short stacking energy: -247.179
Base-Backbone interact. energy: -0.924
local terms energy: -275.135652
where:
bonds (distance) C4'-P energy: -45.460
bonds (distance) P-C4' energy: -58.476
flat angles C4'-P-C4' energy: -58.822
flat angles P-C4'-P energy: -38.837
tors. eta vs tors. theta energy: -73.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -791.691407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.691407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.691407 (E_RNA)
where:
Base-Base interactions energy: -562.440
where: short stacking energy: -235.909
Base-Backbone interact. energy: 0.329
local terms energy: -229.580005
where:
bonds (distance) C4'-P energy: -39.399
bonds (distance) P-C4' energy: -42.044
flat angles C4'-P-C4' energy: -49.543
flat angles P-C4'-P energy: -34.622
tors. eta vs tors. theta energy: -63.973
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: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -768.744150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.744150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.744150 (E_RNA)
where:
Base-Base interactions energy: -535.628
where: short stacking energy: -230.676
Base-Backbone interact. energy: -0.328
local terms energy: -232.788510
where:
bonds (distance) C4'-P energy: -44.762
bonds (distance) P-C4' energy: -44.398
flat angles C4'-P-C4' energy: -54.661
flat angles P-C4'-P energy: -22.456
tors. eta vs tors. theta energy: -66.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -760.124438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.124438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.124438 (E_RNA)
where:
Base-Base interactions energy: -521.307
where: short stacking energy: -230.270
Base-Backbone interact. energy: -1.063
local terms energy: -237.753679
where:
bonds (distance) C4'-P energy: -37.980
bonds (distance) P-C4' energy: -44.890
flat angles C4'-P-C4' energy: -53.790
flat angles P-C4'-P energy: -39.756
tors. eta vs tors. theta energy: -61.338
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: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -558.190998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.190998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.190998 (E_RNA)
where:
Base-Base interactions energy: -369.864
where: short stacking energy: -181.717
Base-Backbone interact. energy: -0.116
local terms energy: -188.211499
where:
bonds (distance) C4'-P energy: -33.496
bonds (distance) P-C4' energy: -45.426
flat angles C4'-P-C4' energy: -42.485
flat angles P-C4'-P energy: -27.622
tors. eta vs tors. theta energy: -39.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -374.375552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.375552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.375552 (E_RNA)
where:
Base-Base interactions energy: -222.621
where: short stacking energy: -109.113
Base-Backbone interact. energy: 1.795
local terms energy: -153.549079
where:
bonds (distance) C4'-P energy: -43.043
bonds (distance) P-C4' energy: -44.662
flat angles C4'-P-C4' energy: -28.017
flat angles P-C4'-P energy: -26.923
tors. eta vs tors. theta energy: -10.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -973.314292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.314292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.314292 (E_RNA)
where:
Base-Base interactions energy: -674.796
where: short stacking energy: -296.407
Base-Backbone interact. energy: -0.766
local terms energy: -297.752636
where:
bonds (distance) C4'-P energy: -51.823
bonds (distance) P-C4' energy: -57.925
flat angles C4'-P-C4' energy: -52.253
flat angles P-C4'-P energy: -45.871
tors. eta vs tors. theta energy: -89.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -885.256857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.256857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.256857 (E_RNA)
where:
Base-Base interactions energy: -604.005
where: short stacking energy: -278.645
Base-Backbone interact. energy: 0.976
local terms energy: -282.228359
where:
bonds (distance) C4'-P energy: -53.574
bonds (distance) P-C4' energy: -49.929
flat angles C4'-P-C4' energy: -55.076
flat angles P-C4'-P energy: -39.015
tors. eta vs tors. theta energy: -84.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -897.491314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.491314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.491314 (E_RNA)
where:
Base-Base interactions energy: -623.354
where: short stacking energy: -255.766
Base-Backbone interact. energy: -0.887
local terms energy: -273.250458
where:
bonds (distance) C4'-P energy: -50.127
bonds (distance) P-C4' energy: -51.893
flat angles C4'-P-C4' energy: -57.849
flat angles P-C4'-P energy: -36.054
tors. eta vs tors. theta energy: -77.327
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: 7
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -864.068297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.068297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.068297 (E_RNA)
where:
Base-Base interactions energy: -601.960
where: short stacking energy: -251.595
Base-Backbone interact. energy: -0.949
local terms energy: -261.158821
where:
bonds (distance) C4'-P energy: -47.612
bonds (distance) P-C4' energy: -48.171
flat angles C4'-P-C4' energy: -61.998
flat angles P-C4'-P energy: -35.618
tors. eta vs tors. theta energy: -67.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -859.558100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.558100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.558100 (E_RNA)
where:
Base-Base interactions energy: -587.416
where: short stacking energy: -261.260
Base-Backbone interact. energy: -0.456
local terms energy: -271.685957
where:
bonds (distance) C4'-P energy: -47.477
bonds (distance) P-C4' energy: -57.101
flat angles C4'-P-C4' energy: -55.508
flat angles P-C4'-P energy: -35.701
tors. eta vs tors. theta energy: -75.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -791.321836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.321836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.321836 (E_RNA)
where:
Base-Base interactions energy: -561.957
where: short stacking energy: -234.361
Base-Backbone interact. energy: -1.831
local terms energy: -227.533402
where:
bonds (distance) C4'-P energy: -44.936
bonds (distance) P-C4' energy: -45.052
flat angles C4'-P-C4' energy: -51.233
flat angles P-C4'-P energy: -25.450
tors. eta vs tors. theta energy: -60.862
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: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -781.445812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.445812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.445812 (E_RNA)
where:
Base-Base interactions energy: -531.089
where: short stacking energy: -220.679
Base-Backbone interact. energy: -1.126
local terms energy: -249.230061
where:
bonds (distance) C4'-P energy: -51.161
bonds (distance) P-C4' energy: -53.954
flat angles C4'-P-C4' energy: -45.509
flat angles P-C4'-P energy: -35.575
tors. eta vs tors. theta energy: -63.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -742.336944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.336944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.336944 (E_RNA)
where:
Base-Base interactions energy: -533.821
where: short stacking energy: -212.871
Base-Backbone interact. energy: -0.464
local terms energy: -208.052726
where:
bonds (distance) C4'-P energy: -29.036
bonds (distance) P-C4' energy: -43.052
flat angles C4'-P-C4' energy: -50.121
flat angles P-C4'-P energy: -32.564
tors. eta vs tors. theta energy: -53.280
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: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -480.529288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.529288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.529288 (E_RNA)
where:
Base-Base interactions energy: -283.709
where: short stacking energy: -125.050
Base-Backbone interact. energy: 0.206
local terms energy: -197.026735
where:
bonds (distance) C4'-P energy: -52.296
bonds (distance) P-C4' energy: -41.628
flat angles C4'-P-C4' energy: -47.050
flat angles P-C4'-P energy: -36.381
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -337.245631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.245631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.245631 (E_RNA)
where:
Base-Base interactions energy: -177.158
where: short stacking energy: -80.782
Base-Backbone interact. energy: 0.169
local terms energy: -160.256562
where:
bonds (distance) C4'-P energy: -50.221
bonds (distance) P-C4' energy: -49.521
flat angles C4'-P-C4' energy: -39.248
flat angles P-C4'-P energy: -23.715
tors. eta vs tors. theta energy: 2.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -967.632665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.632665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.632665 (E_RNA)
where:
Base-Base interactions energy: -680.123
where: short stacking energy: -304.963
Base-Backbone interact. energy: -1.158
local terms energy: -286.351415
where:
bonds (distance) C4'-P energy: -45.826
bonds (distance) P-C4' energy: -56.735
flat angles C4'-P-C4' energy: -54.777
flat angles P-C4'-P energy: -38.121
tors. eta vs tors. theta energy: -90.892
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: 2, replica: 4
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -916.841034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.841034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.841034 (E_RNA)
where:
Base-Base interactions energy: -628.618
where: short stacking energy: -267.007
Base-Backbone interact. energy: -1.265
local terms energy: -286.957807
where:
bonds (distance) C4'-P energy: -53.766
bonds (distance) P-C4' energy: -55.009
flat angles C4'-P-C4' energy: -59.139
flat angles P-C4'-P energy: -40.020
tors. eta vs tors. theta energy: -79.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -884.066482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.066482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.066482 (E_RNA)
where:
Base-Base interactions energy: -612.740
where: short stacking energy: -278.585
Base-Backbone interact. energy: -0.444
local terms energy: -270.881888
where:
bonds (distance) C4'-P energy: -46.190
bonds (distance) P-C4' energy: -49.077
flat angles C4'-P-C4' energy: -59.608
flat angles P-C4'-P energy: -36.104
tors. eta vs tors. theta energy: -79.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -868.814441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.814441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.814441 (E_RNA)
where:
Base-Base interactions energy: -599.978
where: short stacking energy: -266.784
Base-Backbone interact. energy: 0.029
local terms energy: -268.866031
where:
bonds (distance) C4'-P energy: -51.278
bonds (distance) P-C4' energy: -48.990
flat angles C4'-P-C4' energy: -53.267
flat angles P-C4'-P energy: -39.345
tors. eta vs tors. theta energy: -75.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -834.890659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.890659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.890659 (E_RNA)
where:
Base-Base interactions energy: -569.919
where: short stacking energy: -249.939
Base-Backbone interact. energy: -0.928
local terms energy: -264.043482
where:
bonds (distance) C4'-P energy: -49.663
bonds (distance) P-C4' energy: -43.204
flat angles C4'-P-C4' energy: -57.020
flat angles P-C4'-P energy: -37.359
tors. eta vs tors. theta energy: -76.797
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: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -824.951075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.951075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.951075 (E_RNA)
where:
Base-Base interactions energy: -559.325
where: short stacking energy: -243.185
Base-Backbone interact. energy: -2.039
local terms energy: -263.587660
where:
bonds (distance) C4'-P energy: -51.683
bonds (distance) P-C4' energy: -48.413
flat angles C4'-P-C4' energy: -44.864
flat angles P-C4'-P energy: -44.896
tors. eta vs tors. theta energy: -73.732
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: 7, replica: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -797.430664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.430664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.430664 (E_RNA)
where:
Base-Base interactions energy: -533.644
where: short stacking energy: -226.892
Base-Backbone interact. energy: 1.850
local terms energy: -265.636550
where:
bonds (distance) C4'-P energy: -43.490
bonds (distance) P-C4' energy: -48.718
flat angles C4'-P-C4' energy: -60.817
flat angles P-C4'-P energy: -45.200
tors. eta vs tors. theta energy: -67.411
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: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -712.773534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.773534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.773534 (E_RNA)
where:
Base-Base interactions energy: -471.424
where: short stacking energy: -202.444
Base-Backbone interact. energy: -1.516
local terms energy: -239.833755
where:
bonds (distance) C4'-P energy: -49.112
bonds (distance) P-C4' energy: -47.090
flat angles C4'-P-C4' energy: -49.837
flat angles P-C4'-P energy: -34.784
tors. eta vs tors. theta energy: -59.011
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: 221
Temperature: 1.300000
Total energy: -444.976079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.976079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.976079 (E_RNA)
where:
Base-Base interactions energy: -245.208
where: short stacking energy: -114.355
Base-Backbone interact. energy: 0.721
local terms energy: -200.489189
where:
bonds (distance) C4'-P energy: -43.814
bonds (distance) P-C4' energy: -52.180
flat angles C4'-P-C4' energy: -47.652
flat angles P-C4'-P energy: -36.942
tors. eta vs tors. theta energy: -19.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -404.612964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.612964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.612964 (E_RNA)
where:
Base-Base interactions energy: -215.785
where: short stacking energy: -95.983
Base-Backbone interact. energy: 0.235
local terms energy: -189.063181
where:
bonds (distance) C4'-P energy: -43.200
bonds (distance) P-C4' energy: -55.964
flat angles C4'-P-C4' energy: -45.783
flat angles P-C4'-P energy: -30.311
tors. eta vs tors. theta energy: -13.805
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: 9
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -950.574170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.574170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.574170 (E_RNA)
where:
Base-Base interactions energy: -664.650
where: short stacking energy: -288.933
Base-Backbone interact. energy: -1.070
local terms energy: -284.854331
where:
bonds (distance) C4'-P energy: -50.615
bonds (distance) P-C4' energy: -55.552
flat angles C4'-P-C4' energy: -53.496
flat angles P-C4'-P energy: -41.214
tors. eta vs tors. theta energy: -83.977
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: 4
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -905.730123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.730123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.730123 (E_RNA)
where:
Base-Base interactions energy: -621.261
where: short stacking energy: -265.298
Base-Backbone interact. energy: -1.853
local terms energy: -282.616204
where:
bonds (distance) C4'-P energy: -41.461
bonds (distance) P-C4' energy: -57.051
flat angles C4'-P-C4' energy: -62.410
flat angles P-C4'-P energy: -41.384
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: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -883.612665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.612665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.612665 (E_RNA)
where:
Base-Base interactions energy: -613.776
where: short stacking energy: -278.407
Base-Backbone interact. energy: -0.341
local terms energy: -269.495585
where:
bonds (distance) C4'-P energy: -46.929
bonds (distance) P-C4' energy: -56.995
flat angles C4'-P-C4' energy: -56.433
flat angles P-C4'-P energy: -37.051
tors. eta vs tors. theta energy: -72.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -872.546018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.546018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.546018 (E_RNA)
where:
Base-Base interactions energy: -601.318
where: short stacking energy: -263.198
Base-Backbone interact. energy: -0.337
local terms energy: -270.890885
where:
bonds (distance) C4'-P energy: -53.826
bonds (distance) P-C4' energy: -53.418
flat angles C4'-P-C4' energy: -49.940
flat angles P-C4'-P energy: -35.156
tors. eta vs tors. theta energy: -78.551
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: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -842.578809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.578809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.578809 (E_RNA)
where:
Base-Base interactions energy: -568.316
where: short stacking energy: -240.503
Base-Backbone interact. energy: -1.033
local terms energy: -273.230416
where:
bonds (distance) C4'-P energy: -55.188
bonds (distance) P-C4' energy: -51.534
flat angles C4'-P-C4' energy: -55.320
flat angles P-C4'-P energy: -43.799
tors. eta vs tors. theta energy: -67.390
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: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -805.503113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.503113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.503113 (E_RNA)
where:
Base-Base interactions energy: -550.478
where: short stacking energy: -232.274
Base-Backbone interact. energy: -0.922
local terms energy: -254.103162
where:
bonds (distance) C4'-P energy: -50.783
bonds (distance) P-C4' energy: -49.022
flat angles C4'-P-C4' energy: -52.363
flat angles P-C4'-P energy: -43.212
tors. eta vs tors. theta energy: -58.723
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: 6
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -744.627976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.627976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.627976 (E_RNA)
where:
Base-Base interactions energy: -502.450
where: short stacking energy: -198.536
Base-Backbone interact. energy: -0.711
local terms energy: -241.466703
where:
bonds (distance) C4'-P energy: -59.914
bonds (distance) P-C4' energy: -35.599
flat angles C4'-P-C4' energy: -52.814
flat angles P-C4'-P energy: -47.919
tors. eta vs tors. theta energy: -45.219
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: 5
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -742.621748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.621748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.621748 (E_RNA)
where:
Base-Base interactions energy: -527.781
where: short stacking energy: -217.179
Base-Backbone interact. energy: -1.215
local terms energy: -213.625466
where:
bonds (distance) C4'-P energy: -30.311
bonds (distance) P-C4' energy: -42.882
flat angles C4'-P-C4' energy: -51.340
flat angles P-C4'-P energy: -24.076
tors. eta vs tors. theta energy: -65.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -427.733914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.733914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.733914 (E_RNA)
where:
Base-Base interactions energy: -255.304
where: short stacking energy: -128.865
Base-Backbone interact. energy: -0.716
local terms energy: -171.713839
where:
bonds (distance) C4'-P energy: -41.257
bonds (distance) P-C4' energy: -38.669
flat angles C4'-P-C4' energy: -47.814
flat angles P-C4'-P energy: -26.354
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -421.270223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.270223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.270223 (E_RNA)
where:
Base-Base interactions energy: -242.762
where: short stacking energy: -110.781
Base-Backbone interact. energy: -0.115
local terms energy: -178.393470
where:
bonds (distance) C4'-P energy: -43.973
bonds (distance) P-C4' energy: -50.881
flat angles C4'-P-C4' energy: -37.682
flat angles P-C4'-P energy: -20.396
tors. eta vs tors. theta energy: -25.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -967.370339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.370339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.370339 (E_RNA)
where:
Base-Base interactions energy: -658.596
where: short stacking energy: -290.493
Base-Backbone interact. energy: -1.341
local terms energy: -307.433947
where:
bonds (distance) C4'-P energy: -55.845
bonds (distance) P-C4' energy: -61.054
flat angles C4'-P-C4' energy: -60.324
flat angles P-C4'-P energy: -43.133
tors. eta vs tors. theta energy: -87.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -906.245845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.245845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.245845 (E_RNA)
where:
Base-Base interactions energy: -630.099
where: short stacking energy: -289.647
Base-Backbone interact. energy: -0.942
local terms energy: -275.204992
where:
bonds (distance) C4'-P energy: -50.059
bonds (distance) P-C4' energy: -47.447
flat angles C4'-P-C4' energy: -57.946
flat angles P-C4'-P energy: -40.898
tors. eta vs tors. theta energy: -78.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -914.399789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.399789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.399789 (E_RNA)
where:
Base-Base interactions energy: -635.367
where: short stacking energy: -275.196
Base-Backbone interact. energy: -0.128
local terms energy: -278.904561
where:
bonds (distance) C4'-P energy: -47.657
bonds (distance) P-C4' energy: -52.240
flat angles C4'-P-C4' energy: -52.430
flat angles P-C4'-P energy: -43.796
tors. eta vs tors. theta energy: -82.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -853.728460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.728460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.728460 (E_RNA)
where:
Base-Base interactions energy: -583.801
where: short stacking energy: -254.162
Base-Backbone interact. energy: -1.291
local terms energy: -268.636809
where:
bonds (distance) C4'-P energy: -54.331
bonds (distance) P-C4' energy: -39.805
flat angles C4'-P-C4' energy: -55.327
flat angles P-C4'-P energy: -45.356
tors. eta vs tors. theta energy: -73.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -815.310287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.310287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.310287 (E_RNA)
where:
Base-Base interactions energy: -553.505
where: short stacking energy: -230.436
Base-Backbone interact. energy: -1.188
local terms energy: -260.617589
where:
bonds (distance) C4'-P energy: -44.168
bonds (distance) P-C4' energy: -46.657
flat angles C4'-P-C4' energy: -62.135
flat angles P-C4'-P energy: -38.919
tors. eta vs tors. theta energy: -68.739
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: 2
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -805.805522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.805522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.805522 (E_RNA)
where:
Base-Base interactions energy: -555.099
where: short stacking energy: -247.433
Base-Backbone interact. energy: -0.457
local terms energy: -250.249290
where:
bonds (distance) C4'-P energy: -42.248
bonds (distance) P-C4' energy: -49.600
flat angles C4'-P-C4' energy: -51.836
flat angles P-C4'-P energy: -33.865
tors. eta vs tors. theta energy: -72.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -756.511982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.511982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.511982 (E_RNA)
where:
Base-Base interactions energy: -517.790
where: short stacking energy: -216.051
Base-Backbone interact. energy: -0.423
local terms energy: -238.299493
where:
bonds (distance) C4'-P energy: -47.291
bonds (distance) P-C4' energy: -44.586
flat angles C4'-P-C4' energy: -48.955
flat angles P-C4'-P energy: -43.299
tors. eta vs tors. theta energy: -54.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -750.598810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.598810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.598810 (E_RNA)
where:
Base-Base interactions energy: -530.347
where: short stacking energy: -227.869
Base-Backbone interact. energy: 3.457
local terms energy: -223.708184
where:
bonds (distance) C4'-P energy: -41.712
bonds (distance) P-C4' energy: -44.418
flat angles C4'-P-C4' energy: -39.473
flat angles P-C4'-P energy: -33.807
tors. eta vs tors. theta energy: -64.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -429.534393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.534393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.534393 (E_RNA)
where:
Base-Base interactions energy: -244.949
where: short stacking energy: -122.178
Base-Backbone interact. energy: -1.820
local terms energy: -182.765565
where:
bonds (distance) C4'-P energy: -45.559
bonds (distance) P-C4' energy: -46.837
flat angles C4'-P-C4' energy: -43.076
flat angles P-C4'-P energy: -26.620
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -434.338317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.338317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.338317 (E_RNA)
where:
Base-Base interactions energy: -264.572
where: short stacking energy: -126.497
Base-Backbone interact. energy: 2.498
local terms energy: -172.264685
where:
bonds (distance) C4'-P energy: -38.106
bonds (distance) P-C4' energy: -44.707
flat angles C4'-P-C4' energy: -35.142
flat angles P-C4'-P energy: -34.476
tors. eta vs tors. theta energy: -19.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -982.088488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.088488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.088488 (E_RNA)
where:
Base-Base interactions energy: -686.853
where: short stacking energy: -300.774
Base-Backbone interact. energy: 0.711
local terms energy: -295.946393
where:
bonds (distance) C4'-P energy: -52.265
bonds (distance) P-C4' energy: -49.559
flat angles C4'-P-C4' energy: -59.568
flat angles P-C4'-P energy: -47.300
tors. eta vs tors. theta energy: -87.253
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: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -882.418517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.418517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.418517 (E_RNA)
where:
Base-Base interactions energy: -600.110
where: short stacking energy: -264.386
Base-Backbone interact. energy: -0.552
local terms energy: -281.756076
where:
bonds (distance) C4'-P energy: -51.943
bonds (distance) P-C4' energy: -48.980
flat angles C4'-P-C4' energy: -60.029
flat angles P-C4'-P energy: -40.774
tors. eta vs tors. theta energy: -80.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -904.340668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.340668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.340668 (E_RNA)
where:
Base-Base interactions energy: -620.372
where: short stacking energy: -260.532
Base-Backbone interact. energy: -0.339
local terms energy: -283.629448
where:
bonds (distance) C4'-P energy: -51.073
bonds (distance) P-C4' energy: -53.891
flat angles C4'-P-C4' energy: -60.695
flat angles P-C4'-P energy: -35.292
tors. eta vs tors. theta energy: -82.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -863.597793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.597793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.597793 (E_RNA)
where:
Base-Base interactions energy: -593.101
where: short stacking energy: -265.839
Base-Backbone interact. energy: -0.119
local terms energy: -270.377911
where:
bonds (distance) C4'-P energy: -49.548
bonds (distance) P-C4' energy: -38.021
flat angles C4'-P-C4' energy: -63.419
flat angles P-C4'-P energy: -38.963
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: 5, replica: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -823.831856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.831856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.831856 (E_RNA)
where:
Base-Base interactions energy: -568.703
where: short stacking energy: -245.160
Base-Backbone interact. energy: 0.852
local terms energy: -255.981761
where:
bonds (distance) C4'-P energy: -46.579
bonds (distance) P-C4' energy: -43.037
flat angles C4'-P-C4' energy: -59.461
flat angles P-C4'-P energy: -39.423
tors. eta vs tors. theta energy: -67.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -815.580341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.580341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.580341 (E_RNA)
where:
Base-Base interactions energy: -570.656
where: short stacking energy: -252.352
Base-Backbone interact. energy: -0.299
local terms energy: -244.625729
where:
bonds (distance) C4'-P energy: -44.196
bonds (distance) P-C4' energy: -44.441
flat angles C4'-P-C4' energy: -47.740
flat angles P-C4'-P energy: -37.154
tors. eta vs tors. theta energy: -71.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -793.527261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.527261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.527261 (E_RNA)
where:
Base-Base interactions energy: -539.592
where: short stacking energy: -232.416
Base-Backbone interact. energy: -0.255
local terms energy: -253.680667
where:
bonds (distance) C4'-P energy: -39.573
bonds (distance) P-C4' energy: -51.189
flat angles C4'-P-C4' energy: -57.167
flat angles P-C4'-P energy: -33.878
tors. eta vs tors. theta energy: -71.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -729.857464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.857464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.857464 (E_RNA)
where:
Base-Base interactions energy: -497.858
where: short stacking energy: -204.458
Base-Backbone interact. energy: -0.933
local terms energy: -231.066242
where:
bonds (distance) C4'-P energy: -46.737
bonds (distance) P-C4' energy: -48.892
flat angles C4'-P-C4' energy: -49.801
flat angles P-C4'-P energy: -30.394
tors. eta vs tors. theta energy: -55.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -440.958612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.958612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.958612 (E_RNA)
where:
Base-Base interactions energy: -259.123
where: short stacking energy: -127.679
Base-Backbone interact. energy: -0.198
local terms energy: -181.637781
where:
bonds (distance) C4'-P energy: -44.342
bonds (distance) P-C4' energy: -49.521
flat angles C4'-P-C4' energy: -47.629
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -26.860
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: 224
Temperature: 1.350000
Total energy: -416.196406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.196406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.196406 (E_RNA)
where:
Base-Base interactions energy: -235.329
where: short stacking energy: -114.907
Base-Backbone interact. energy: 1.187
local terms energy: -182.054092
where:
bonds (distance) C4'-P energy: -55.489
bonds (distance) P-C4' energy: -40.755
flat angles C4'-P-C4' energy: -42.921
flat angles P-C4'-P energy: -20.245
tors. eta vs tors. theta energy: -22.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -993.028187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.028187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.028187 (E_RNA)
where:
Base-Base interactions energy: -684.312
where: short stacking energy: -295.004
Base-Backbone interact. energy: -1.083
local terms energy: -307.633185
where:
bonds (distance) C4'-P energy: -56.203
bonds (distance) P-C4' energy: -56.904
flat angles C4'-P-C4' energy: -61.050
flat angles P-C4'-P energy: -41.876
tors. eta vs tors. theta energy: -91.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -913.925243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.925243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.925243 (E_RNA)
where:
Base-Base interactions energy: -641.222
where: short stacking energy: -270.467
Base-Backbone interact. energy: -2.704
local terms energy: -269.999413
where:
bonds (distance) C4'-P energy: -35.942
bonds (distance) P-C4' energy: -53.276
flat angles C4'-P-C4' energy: -57.264
flat angles P-C4'-P energy: -43.176
tors. eta vs tors. theta energy: -80.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -895.498772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.498772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.498772 (E_RNA)
where:
Base-Base interactions energy: -611.482
where: short stacking energy: -274.243
Base-Backbone interact. energy: -2.024
local terms energy: -281.992293
where:
bonds (distance) C4'-P energy: -41.615
bonds (distance) P-C4' energy: -55.492
flat angles C4'-P-C4' energy: -61.849
flat angles P-C4'-P energy: -44.955
tors. eta vs tors. theta energy: -78.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -867.273677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.273677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.273677 (E_RNA)
where:
Base-Base interactions energy: -591.840
where: short stacking energy: -264.945
Base-Backbone interact. energy: -0.227
local terms energy: -275.206449
where:
bonds (distance) C4'-P energy: -52.132
bonds (distance) P-C4' energy: -51.342
flat angles C4'-P-C4' energy: -53.530
flat angles P-C4'-P energy: -36.072
tors. eta vs tors. theta energy: -82.131
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: 225
Temperature: 1.100000
Total energy: -815.867158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.867158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.867158 (E_RNA)
where:
Base-Base interactions energy: -554.697
where: short stacking energy: -239.551
Base-Backbone interact. energy: 1.177
local terms energy: -262.346429
where:
bonds (distance) C4'-P energy: -49.217
bonds (distance) P-C4' energy: -50.203
flat angles C4'-P-C4' energy: -54.736
flat angles P-C4'-P energy: -37.769
tors. eta vs tors. theta energy: -70.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -804.485466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.485466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.485466 (E_RNA)
where:
Base-Base interactions energy: -548.972
where: short stacking energy: -234.324
Base-Backbone interact. energy: -0.753
local terms energy: -254.761353
where:
bonds (distance) C4'-P energy: -47.811
bonds (distance) P-C4' energy: -54.836
flat angles C4'-P-C4' energy: -50.461
flat angles P-C4'-P energy: -31.487
tors. eta vs tors. theta energy: -70.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -773.406406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.406406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.406406 (E_RNA)
where:
Base-Base interactions energy: -535.898
where: short stacking energy: -228.779
Base-Backbone interact. energy: -1.391
local terms energy: -236.116985
where:
bonds (distance) C4'-P energy: -47.346
bonds (distance) P-C4' energy: -45.161
flat angles C4'-P-C4' energy: -52.846
flat angles P-C4'-P energy: -35.840
tors. eta vs tors. theta energy: -54.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -716.771079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.771079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.771079 (E_RNA)
where:
Base-Base interactions energy: -495.734
where: short stacking energy: -214.924
Base-Backbone interact. energy: 2.803
local terms energy: -223.840768
where:
bonds (distance) C4'-P energy: -47.663
bonds (distance) P-C4' energy: -44.913
flat angles C4'-P-C4' energy: -47.974
flat angles P-C4'-P energy: -34.885
tors. eta vs tors. theta energy: -48.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -447.473832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.473832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.473832 (E_RNA)
where:
Base-Base interactions energy: -252.421
where: short stacking energy: -138.889
Base-Backbone interact. energy: 0.098
local terms energy: -195.151185
where:
bonds (distance) C4'-P energy: -58.512
bonds (distance) P-C4' energy: -34.668
flat angles C4'-P-C4' energy: -43.796
flat angles P-C4'-P energy: -32.974
tors. eta vs tors. theta energy: -25.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -407.815445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.815445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.815445 (E_RNA)
where:
Base-Base interactions energy: -236.533
where: short stacking energy: -120.553
Base-Backbone interact. energy: -1.026
local terms energy: -170.256414
where:
bonds (distance) C4'-P energy: -35.309
bonds (distance) P-C4' energy: -47.080
flat angles C4'-P-C4' energy: -41.153
flat angles P-C4'-P energy: -20.953
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: 1, replica: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -984.504272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.504272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.504272 (E_RNA)
where:
Base-Base interactions energy: -688.245
where: short stacking energy: -301.874
Base-Backbone interact. energy: -0.759
local terms energy: -295.500205
where:
bonds (distance) C4'-P energy: -47.146
bonds (distance) P-C4' energy: -57.159
flat angles C4'-P-C4' energy: -59.164
flat angles P-C4'-P energy: -43.172
tors. eta vs tors. theta energy: -88.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -917.361846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.361846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.361846 (E_RNA)
where:
Base-Base interactions energy: -647.287
where: short stacking energy: -273.571
Base-Backbone interact. energy: -1.459
local terms energy: -268.615409
where:
bonds (distance) C4'-P energy: -51.586
bonds (distance) P-C4' energy: -43.043
flat angles C4'-P-C4' energy: -61.703
flat angles P-C4'-P energy: -33.867
tors. eta vs tors. theta energy: -78.417
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: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -898.460411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.460411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.460411 (E_RNA)
where:
Base-Base interactions energy: -608.848
where: short stacking energy: -262.431
Base-Backbone interact. energy: -1.244
local terms energy: -288.368329
where:
bonds (distance) C4'-P energy: -55.541
bonds (distance) P-C4' energy: -53.333
flat angles C4'-P-C4' energy: -58.346
flat angles P-C4'-P energy: -41.291
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: 4, replica: 7
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -835.227163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.227163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.227163 (E_RNA)
where:
Base-Base interactions energy: -574.410
where: short stacking energy: -252.554
Base-Backbone interact. energy: -0.751
local terms energy: -260.066023
where:
bonds (distance) C4'-P energy: -51.418
bonds (distance) P-C4' energy: -42.244
flat angles C4'-P-C4' energy: -56.534
flat angles P-C4'-P energy: -39.835
tors. eta vs tors. theta energy: -70.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -844.756300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.756300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.756300 (E_RNA)
where:
Base-Base interactions energy: -586.327
where: short stacking energy: -260.299
Base-Backbone interact. energy: 3.505
local terms energy: -261.933978
where:
bonds (distance) C4'-P energy: -49.522
bonds (distance) P-C4' energy: -50.056
flat angles C4'-P-C4' energy: -56.557
flat angles P-C4'-P energy: -35.313
tors. eta vs tors. theta energy: -70.487
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: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -797.794964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.794964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.794964 (E_RNA)
where:
Base-Base interactions energy: -555.810
where: short stacking energy: -233.155
Base-Backbone interact. energy: 0.230
local terms energy: -242.215317
where:
bonds (distance) C4'-P energy: -45.629
bonds (distance) P-C4' energy: -51.245
flat angles C4'-P-C4' energy: -48.144
flat angles P-C4'-P energy: -31.165
tors. eta vs tors. theta energy: -66.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -773.632193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.632193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.632193 (E_RNA)
where:
Base-Base interactions energy: -520.044
where: short stacking energy: -217.889
Base-Backbone interact. energy: -1.011
local terms energy: -252.577511
where:
bonds (distance) C4'-P energy: -50.171
bonds (distance) P-C4' energy: -50.366
flat angles C4'-P-C4' energy: -54.762
flat angles P-C4'-P energy: -39.249
tors. eta vs tors. theta energy: -58.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -717.966989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.966989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.966989 (E_RNA)
where:
Base-Base interactions energy: -492.340
where: short stacking energy: -201.927
Base-Backbone interact. energy: 0.442
local terms energy: -226.069639
where:
bonds (distance) C4'-P energy: -44.504
bonds (distance) P-C4' energy: -45.790
flat angles C4'-P-C4' energy: -48.341
flat angles P-C4'-P energy: -33.794
tors. eta vs tors. theta energy: -53.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -418.290402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.290402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.290402 (E_RNA)
where:
Base-Base interactions energy: -235.446
where: short stacking energy: -119.499
Base-Backbone interact. energy: -0.770
local terms energy: -182.073947
where:
bonds (distance) C4'-P energy: -42.941
bonds (distance) P-C4' energy: -48.519
flat angles C4'-P-C4' energy: -40.214
flat angles P-C4'-P energy: -30.381
tors. eta vs tors. theta energy: -20.019
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: 8
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -434.728162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.728162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.728162 (E_RNA)
where:
Base-Base interactions energy: -255.686
where: short stacking energy: -122.386
Base-Backbone interact. energy: -0.497
local terms energy: -178.545809
where:
bonds (distance) C4'-P energy: -41.675
bonds (distance) P-C4' energy: -44.345
flat angles C4'-P-C4' energy: -46.109
flat angles P-C4'-P energy: -30.296
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -968.223078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.223078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.223078 (E_RNA)
where:
Base-Base interactions energy: -681.680
where: short stacking energy: -294.612
Base-Backbone interact. energy: -1.699
local terms energy: -284.844801
where:
bonds (distance) C4'-P energy: -44.948
bonds (distance) P-C4' energy: -49.380
flat angles C4'-P-C4' energy: -60.341
flat angles P-C4'-P energy: -43.512
tors. eta vs tors. theta energy: -86.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -907.369686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.369686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.369686 (E_RNA)
where:
Base-Base interactions energy: -627.932
where: short stacking energy: -272.922
Base-Backbone interact. energy: -1.151
local terms energy: -278.286769
where:
bonds (distance) C4'-P energy: -50.100
bonds (distance) P-C4' energy: -54.575
flat angles C4'-P-C4' energy: -59.415
flat angles P-C4'-P energy: -35.317
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: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -855.014059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.014059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.014059 (E_RNA)
where:
Base-Base interactions energy: -584.333
where: short stacking energy: -253.125
Base-Backbone interact. energy: -0.640
local terms energy: -270.040513
where:
bonds (distance) C4'-P energy: -48.238
bonds (distance) P-C4' energy: -57.254
flat angles C4'-P-C4' energy: -52.372
flat angles P-C4'-P energy: -40.712
tors. eta vs tors. theta energy: -71.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -859.579506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.579506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.579506 (E_RNA)
where:
Base-Base interactions energy: -595.869
where: short stacking energy: -261.675
Base-Backbone interact. energy: 0.754
local terms energy: -264.463951
where:
bonds (distance) C4'-P energy: -44.756
bonds (distance) P-C4' energy: -49.722
flat angles C4'-P-C4' energy: -61.907
flat angles P-C4'-P energy: -34.162
tors. eta vs tors. theta energy: -73.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -859.475031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.475031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.475031 (E_RNA)
where:
Base-Base interactions energy: -579.240
where: short stacking energy: -257.164
Base-Backbone interact. energy: 1.157
local terms energy: -281.392023
where:
bonds (distance) C4'-P energy: -56.582
bonds (distance) P-C4' energy: -57.106
flat angles C4'-P-C4' energy: -54.688
flat angles P-C4'-P energy: -37.726
tors. eta vs tors. theta energy: -75.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -797.496080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.496080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.496080 (E_RNA)
where:
Base-Base interactions energy: -542.593
where: short stacking energy: -233.752
Base-Backbone interact. energy: -1.038
local terms energy: -253.865360
where:
bonds (distance) C4'-P energy: -43.412
bonds (distance) P-C4' energy: -45.274
flat angles C4'-P-C4' energy: -48.522
flat angles P-C4'-P energy: -41.617
tors. eta vs tors. theta energy: -75.041
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: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -781.905151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.905151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.905151 (E_RNA)
where:
Base-Base interactions energy: -541.632
where: short stacking energy: -223.242
Base-Backbone interact. energy: -1.580
local terms energy: -238.692837
where:
bonds (distance) C4'-P energy: -48.045
bonds (distance) P-C4' energy: -45.460
flat angles C4'-P-C4' energy: -62.795
flat angles P-C4'-P energy: -26.995
tors. eta vs tors. theta energy: -55.398
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: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -722.008148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.008148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.008148 (E_RNA)
where:
Base-Base interactions energy: -491.774
where: short stacking energy: -221.328
Base-Backbone interact. energy: -0.529
local terms energy: -229.705383
where:
bonds (distance) C4'-P energy: -44.050
bonds (distance) P-C4' energy: -56.061
flat angles C4'-P-C4' energy: -47.447
flat angles P-C4'-P energy: -29.922
tors. eta vs tors. theta energy: -52.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -410.645804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.645804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.645804 (E_RNA)
where:
Base-Base interactions energy: -239.334
where: short stacking energy: -124.282
Base-Backbone interact. energy: 3.218
local terms energy: -174.529628
where:
bonds (distance) C4'-P energy: -44.962
bonds (distance) P-C4' energy: -57.738
flat angles C4'-P-C4' energy: -35.562
flat angles P-C4'-P energy: -24.259
tors. eta vs tors. theta energy: -12.008
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: 8
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -364.970673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.970673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.970673 (E_RNA)
where:
Base-Base interactions energy: -209.971
where: short stacking energy: -102.582
Base-Backbone interact. energy: -0.411
local terms energy: -154.588591
where:
bonds (distance) C4'-P energy: -37.481
bonds (distance) P-C4' energy: -42.724
flat angles C4'-P-C4' energy: -38.213
flat angles P-C4'-P energy: -21.421
tors. eta vs tors. theta energy: -14.751
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: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -962.352631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.352631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.352631 (E_RNA)
where:
Base-Base interactions energy: -667.211
where: short stacking energy: -298.142
Base-Backbone interact. energy: -0.965
local terms energy: -294.175949
where:
bonds (distance) C4'-P energy: -48.125
bonds (distance) P-C4' energy: -52.377
flat angles C4'-P-C4' energy: -57.321
flat angles P-C4'-P energy: -44.110
tors. eta vs tors. theta energy: -92.244
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: 4
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -914.190212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.190212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.190212 (E_RNA)
where:
Base-Base interactions energy: -639.110
where: short stacking energy: -271.354
Base-Backbone interact. energy: -1.381
local terms energy: -273.699813
where:
bonds (distance) C4'-P energy: -42.622
bonds (distance) P-C4' energy: -54.449
flat angles C4'-P-C4' energy: -62.328
flat angles P-C4'-P energy: -42.937
tors. eta vs tors. theta energy: -71.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -869.171557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.171557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.171557 (E_RNA)
where:
Base-Base interactions energy: -606.859
where: short stacking energy: -248.652
Base-Backbone interact. energy: -0.614
local terms energy: -261.698702
where:
bonds (distance) C4'-P energy: -47.330
bonds (distance) P-C4' energy: -53.185
flat angles C4'-P-C4' energy: -61.840
flat angles P-C4'-P energy: -30.852
tors. eta vs tors. theta energy: -68.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -826.439548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.439548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.439548 (E_RNA)
where:
Base-Base interactions energy: -579.957
where: short stacking energy: -253.775
Base-Backbone interact. energy: 0.731
local terms energy: -247.213712
where:
bonds (distance) C4'-P energy: -39.764
bonds (distance) P-C4' energy: -47.095
flat angles C4'-P-C4' energy: -54.464
flat angles P-C4'-P energy: -38.553
tors. eta vs tors. theta energy: -67.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -839.774092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.774092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.774092 (E_RNA)
where:
Base-Base interactions energy: -574.018
where: short stacking energy: -260.376
Base-Backbone interact. energy: 1.127
local terms energy: -266.882898
where:
bonds (distance) C4'-P energy: -44.092
bonds (distance) P-C4' energy: -54.151
flat angles C4'-P-C4' energy: -54.282
flat angles P-C4'-P energy: -40.421
tors. eta vs tors. theta energy: -73.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -807.413048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.413048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.413048 (E_RNA)
where:
Base-Base interactions energy: -543.844
where: short stacking energy: -231.899
Base-Backbone interact. energy: -1.440
local terms energy: -262.128877
where:
bonds (distance) C4'-P energy: -48.661
bonds (distance) P-C4' energy: -49.029
flat angles C4'-P-C4' energy: -52.749
flat angles P-C4'-P energy: -39.926
tors. eta vs tors. theta energy: -71.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -803.838730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.838730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.838730 (E_RNA)
where:
Base-Base interactions energy: -546.180
where: short stacking energy: -220.312
Base-Backbone interact. energy: -0.365
local terms energy: -257.294438
where:
bonds (distance) C4'-P energy: -49.488
bonds (distance) P-C4' energy: -42.837
flat angles C4'-P-C4' energy: -59.505
flat angles P-C4'-P energy: -38.372
tors. eta vs tors. theta energy: -67.092
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: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -719.113863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.113863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.113863 (E_RNA)
where:
Base-Base interactions energy: -489.800
where: short stacking energy: -200.903
Base-Backbone interact. energy: -0.540
local terms energy: -228.773845
where:
bonds (distance) C4'-P energy: -44.789
bonds (distance) P-C4' energy: -51.879
flat angles C4'-P-C4' energy: -52.882
flat angles P-C4'-P energy: -21.840
tors. eta vs tors. theta energy: -57.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -432.113699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.113699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.113699 (E_RNA)
where:
Base-Base interactions energy: -259.768
where: short stacking energy: -132.051
Base-Backbone interact. energy: -0.204
local terms energy: -172.142486
where:
bonds (distance) C4'-P energy: -45.298
bonds (distance) P-C4' energy: -37.272
flat angles C4'-P-C4' energy: -40.822
flat angles P-C4'-P energy: -27.974
tors. eta vs tors. theta energy: -20.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -362.468891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.468891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.468891 (E_RNA)
where:
Base-Base interactions energy: -215.720
where: short stacking energy: -109.628
Base-Backbone interact. energy: -0.360
local terms energy: -146.388676
where:
bonds (distance) C4'-P energy: -42.102
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -45.777
flat angles P-C4'-P energy: -2.301
tors. eta vs tors. theta energy: -7.898
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: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -974.467398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.467398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.467398 (E_RNA)
where:
Base-Base interactions energy: -675.221
where: short stacking energy: -295.701
Base-Backbone interact. energy: -1.492
local terms energy: -297.754431
where:
bonds (distance) C4'-P energy: -45.897
bonds (distance) P-C4' energy: -57.947
flat angles C4'-P-C4' energy: -57.917
flat angles P-C4'-P energy: -42.375
tors. eta vs tors. theta energy: -93.618
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: 4
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -916.552682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.552682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.552682 (E_RNA)
where:
Base-Base interactions energy: -646.803
where: short stacking energy: -275.283
Base-Backbone interact. energy: -1.452
local terms energy: -268.297519
where:
bonds (distance) C4'-P energy: -46.497
bonds (distance) P-C4' energy: -56.965
flat angles C4'-P-C4' energy: -53.562
flat angles P-C4'-P energy: -34.852
tors. eta vs tors. theta energy: -76.423
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: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -862.754154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.754154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.754154 (E_RNA)
where:
Base-Base interactions energy: -596.535
where: short stacking energy: -257.711
Base-Backbone interact. energy: -0.494
local terms energy: -265.725159
where:
bonds (distance) C4'-P energy: -45.838
bonds (distance) P-C4' energy: -47.775
flat angles C4'-P-C4' energy: -58.941
flat angles P-C4'-P energy: -43.532
tors. eta vs tors. theta energy: -69.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -832.920751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.920751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.920751 (E_RNA)
where:
Base-Base interactions energy: -582.497
where: short stacking energy: -248.735
Base-Backbone interact. energy: -0.346
local terms energy: -250.078134
where:
bonds (distance) C4'-P energy: -49.124
bonds (distance) P-C4' energy: -49.485
flat angles C4'-P-C4' energy: -45.512
flat angles P-C4'-P energy: -38.930
tors. eta vs tors. theta energy: -67.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -806.475934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.475934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.475934 (E_RNA)
where:
Base-Base interactions energy: -554.012
where: short stacking energy: -239.194
Base-Backbone interact. energy: -0.917
local terms energy: -251.546935
where:
bonds (distance) C4'-P energy: -54.365
bonds (distance) P-C4' energy: -38.017
flat angles C4'-P-C4' energy: -58.541
flat angles P-C4'-P energy: -35.742
tors. eta vs tors. theta energy: -64.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -811.922985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.922985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.922985 (E_RNA)
where:
Base-Base interactions energy: -556.869
where: short stacking energy: -237.639
Base-Backbone interact. energy: 0.592
local terms energy: -255.645962
where:
bonds (distance) C4'-P energy: -49.125
bonds (distance) P-C4' energy: -51.070
flat angles C4'-P-C4' energy: -51.687
flat angles P-C4'-P energy: -36.727
tors. eta vs tors. theta energy: -67.037
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: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -746.406011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.406011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.406011 (E_RNA)
where:
Base-Base interactions energy: -501.789
where: short stacking energy: -201.722
Base-Backbone interact. energy: -0.157
local terms energy: -244.460334
where:
bonds (distance) C4'-P energy: -48.564
bonds (distance) P-C4' energy: -49.492
flat angles C4'-P-C4' energy: -52.511
flat angles P-C4'-P energy: -31.823
tors. eta vs tors. theta energy: -62.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -719.536031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.536031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.536031 (E_RNA)
where:
Base-Base interactions energy: -498.325
where: short stacking energy: -215.500
Base-Backbone interact. energy: 2.858
local terms energy: -224.069418
where:
bonds (distance) C4'-P energy: -43.313
bonds (distance) P-C4' energy: -49.556
flat angles C4'-P-C4' energy: -47.993
flat angles P-C4'-P energy: -29.944
tors. eta vs tors. theta energy: -53.263
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: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -450.289372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.289372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.289372 (E_RNA)
where:
Base-Base interactions energy: -250.072
where: short stacking energy: -116.143
Base-Backbone interact. energy: -0.752
local terms energy: -199.465397
where:
bonds (distance) C4'-P energy: -46.584
bonds (distance) P-C4' energy: -45.593
flat angles C4'-P-C4' energy: -53.202
flat angles P-C4'-P energy: -30.819
tors. eta vs tors. theta energy: -23.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -434.674952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.674952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.674952 (E_RNA)
where:
Base-Base interactions energy: -268.764
where: short stacking energy: -129.215
Base-Backbone interact. energy: 1.246
local terms energy: -167.156556
where:
bonds (distance) C4'-P energy: -39.141
bonds (distance) P-C4' energy: -35.579
flat angles C4'-P-C4' energy: -42.059
flat angles P-C4'-P energy: -24.321
tors. eta vs tors. theta energy: -26.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -965.985561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.985561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.985561 (E_RNA)
where:
Base-Base interactions energy: -669.589
where: short stacking energy: -297.234
Base-Backbone interact. energy: -0.878
local terms energy: -295.518465
where:
bonds (distance) C4'-P energy: -51.830
bonds (distance) P-C4' energy: -48.838
flat angles C4'-P-C4' energy: -65.316
flat angles P-C4'-P energy: -42.639
tors. eta vs tors. theta energy: -86.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -928.547820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.547820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.547820 (E_RNA)
where:
Base-Base interactions energy: -663.557
where: short stacking energy: -278.440
Base-Backbone interact. energy: -1.616
local terms energy: -263.375039
where:
bonds (distance) C4'-P energy: -49.722
bonds (distance) P-C4' energy: -57.930
flat angles C4'-P-C4' energy: -53.495
flat angles P-C4'-P energy: -34.889
tors. eta vs tors. theta energy: -67.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -870.569206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.569206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.569206 (E_RNA)
where:
Base-Base interactions energy: -602.212
where: short stacking energy: -263.802
Base-Backbone interact. energy: -1.072
local terms energy: -267.284774
where:
bonds (distance) C4'-P energy: -53.293
bonds (distance) P-C4' energy: -47.104
flat angles C4'-P-C4' energy: -62.290
flat angles P-C4'-P energy: -34.550
tors. eta vs tors. theta energy: -70.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -858.820775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.820775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.820775 (E_RNA)
where:
Base-Base interactions energy: -584.154
where: short stacking energy: -258.998
Base-Backbone interact. energy: -1.153
local terms energy: -273.513684
where:
bonds (distance) C4'-P energy: -52.199
bonds (distance) P-C4' energy: -50.194
flat angles C4'-P-C4' energy: -52.554
flat angles P-C4'-P energy: -43.142
tors. eta vs tors. theta energy: -75.425
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: 1
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -853.225407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.225407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.225407 (E_RNA)
where:
Base-Base interactions energy: -588.745
where: short stacking energy: -256.542
Base-Backbone interact. energy: -0.525
local terms energy: -263.955415
where:
bonds (distance) C4'-P energy: -37.207
bonds (distance) P-C4' energy: -57.813
flat angles C4'-P-C4' energy: -58.526
flat angles P-C4'-P energy: -35.377
tors. eta vs tors. theta energy: -75.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -799.248504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.248504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.248504 (E_RNA)
where:
Base-Base interactions energy: -542.797
where: short stacking energy: -246.843
Base-Backbone interact. energy: -0.268
local terms energy: -256.184088
where:
bonds (distance) C4'-P energy: -39.948
bonds (distance) P-C4' energy: -50.530
flat angles C4'-P-C4' energy: -58.588
flat angles P-C4'-P energy: -33.333
tors. eta vs tors. theta energy: -73.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -775.981360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.981360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.981360 (E_RNA)
where:
Base-Base interactions energy: -519.735
where: short stacking energy: -218.414
Base-Backbone interact. energy: -0.900
local terms energy: -255.346602
where:
bonds (distance) C4'-P energy: -54.156
bonds (distance) P-C4' energy: -51.080
flat angles C4'-P-C4' energy: -50.523
flat angles P-C4'-P energy: -36.275
tors. eta vs tors. theta energy: -63.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -703.178951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.178951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.178951 (E_RNA)
where:
Base-Base interactions energy: -474.984
where: short stacking energy: -184.165
Base-Backbone interact. energy: 0.898
local terms energy: -229.092958
where:
bonds (distance) C4'-P energy: -46.339
bonds (distance) P-C4' energy: -48.111
flat angles C4'-P-C4' energy: -52.403
flat angles P-C4'-P energy: -41.045
tors. eta vs tors. theta energy: -41.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -406.954488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.954488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.954488 (E_RNA)
where:
Base-Base interactions energy: -246.355
where: short stacking energy: -120.220
Base-Backbone interact. energy: -0.019
local terms energy: -160.579963
where:
bonds (distance) C4'-P energy: -46.193
bonds (distance) P-C4' energy: -47.234
flat angles C4'-P-C4' energy: -34.750
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -19.264
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: 230
Temperature: 1.350000
Total energy: -479.379889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.379889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.379889 (E_RNA)
where:
Base-Base interactions energy: -300.746
where: short stacking energy: -143.977
Base-Backbone interact. energy: -1.262
local terms energy: -177.372213
where:
bonds (distance) C4'-P energy: -38.573
bonds (distance) P-C4' energy: -48.848
flat angles C4'-P-C4' energy: -41.432
flat angles P-C4'-P energy: -22.126
tors. eta vs tors. theta energy: -26.394
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: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -972.437211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.437211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.437211 (E_RNA)
where:
Base-Base interactions energy: -673.711
where: short stacking energy: -287.227
Base-Backbone interact. energy: -2.084
local terms energy: -296.642912
where:
bonds (distance) C4'-P energy: -55.534
bonds (distance) P-C4' energy: -49.805
flat angles C4'-P-C4' energy: -60.823
flat angles P-C4'-P energy: -43.866
tors. eta vs tors. theta energy: -86.615
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: 2, replica: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -915.442614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.442614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.442614 (E_RNA)
where:
Base-Base interactions energy: -636.259
where: short stacking energy: -260.540
Base-Backbone interact. energy: -1.796
local terms energy: -277.387855
where:
bonds (distance) C4'-P energy: -47.229
bonds (distance) P-C4' energy: -54.837
flat angles C4'-P-C4' energy: -62.431
flat angles P-C4'-P energy: -39.462
tors. eta vs tors. theta energy: -73.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -875.782112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.782112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.782112 (E_RNA)
where:
Base-Base interactions energy: -598.641
where: short stacking energy: -266.012
Base-Backbone interact. energy: -1.072
local terms energy: -276.069630
where:
bonds (distance) C4'-P energy: -49.270
bonds (distance) P-C4' energy: -48.058
flat angles C4'-P-C4' energy: -56.514
flat angles P-C4'-P energy: -43.939
tors. eta vs tors. theta energy: -78.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -835.713708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.713708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.713708 (E_RNA)
where:
Base-Base interactions energy: -575.475
where: short stacking energy: -246.863
Base-Backbone interact. energy: 0.424
local terms energy: -260.662265
where:
bonds (distance) C4'-P energy: -47.551
bonds (distance) P-C4' energy: -49.542
flat angles C4'-P-C4' energy: -62.143
flat angles P-C4'-P energy: -35.861
tors. eta vs tors. theta energy: -65.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -863.754928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.754928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.754928 (E_RNA)
where:
Base-Base interactions energy: -596.454
where: short stacking energy: -260.075
Base-Backbone interact. energy: -0.437
local terms energy: -266.863449
where:
bonds (distance) C4'-P energy: -40.063
bonds (distance) P-C4' energy: -54.631
flat angles C4'-P-C4' energy: -57.701
flat angles P-C4'-P energy: -36.456
tors. eta vs tors. theta energy: -78.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -811.420998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.420998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.420998 (E_RNA)
where:
Base-Base interactions energy: -556.344
where: short stacking energy: -243.180
Base-Backbone interact. energy: -0.651
local terms energy: -254.425988
where:
bonds (distance) C4'-P energy: -46.117
bonds (distance) P-C4' energy: -53.919
flat angles C4'-P-C4' energy: -58.353
flat angles P-C4'-P energy: -30.467
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: 7, replica: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -784.096568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.096568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.096568 (E_RNA)
where:
Base-Base interactions energy: -540.777
where: short stacking energy: -220.445
Base-Backbone interact. energy: 2.051
local terms energy: -245.370623
where:
bonds (distance) C4'-P energy: -45.358
bonds (distance) P-C4' energy: -49.111
flat angles C4'-P-C4' energy: -50.224
flat angles P-C4'-P energy: -34.934
tors. eta vs tors. theta energy: -65.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -699.353995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.353995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.353995 (E_RNA)
where:
Base-Base interactions energy: -470.817
where: short stacking energy: -188.561
Base-Backbone interact. energy: -1.439
local terms energy: -227.098628
where:
bonds (distance) C4'-P energy: -45.610
bonds (distance) P-C4' energy: -49.268
flat angles C4'-P-C4' energy: -47.346
flat angles P-C4'-P energy: -32.254
tors. eta vs tors. theta energy: -52.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -413.528380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.528380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.528380 (E_RNA)
where:
Base-Base interactions energy: -238.988
where: short stacking energy: -109.717
Base-Backbone interact. energy: -1.184
local terms energy: -173.357134
where:
bonds (distance) C4'-P energy: -44.324
bonds (distance) P-C4' energy: -58.916
flat angles C4'-P-C4' energy: -41.115
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -19.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -485.180046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.180046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.180046 (E_RNA)
where:
Base-Base interactions energy: -306.682
where: short stacking energy: -136.500
Base-Backbone interact. energy: -0.412
local terms energy: -178.086177
where:
bonds (distance) C4'-P energy: -41.782
bonds (distance) P-C4' energy: -36.787
flat angles C4'-P-C4' energy: -45.034
flat angles P-C4'-P energy: -27.175
tors. eta vs tors. theta energy: -27.308
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: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -953.400949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.400949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.400949 (E_RNA)
where:
Base-Base interactions energy: -656.715
where: short stacking energy: -285.622
Base-Backbone interact. energy: 0.534
local terms energy: -297.220087
where:
bonds (distance) C4'-P energy: -48.494
bonds (distance) P-C4' energy: -50.694
flat angles C4'-P-C4' energy: -56.447
flat angles P-C4'-P energy: -47.744
tors. eta vs tors. theta energy: -93.841
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: 2, replica: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -925.506382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.506382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.506382 (E_RNA)
where:
Base-Base interactions energy: -640.460
where: short stacking energy: -272.385
Base-Backbone interact. energy: 2.861
local terms energy: -287.907804
where:
bonds (distance) C4'-P energy: -56.540
bonds (distance) P-C4' energy: -49.211
flat angles C4'-P-C4' energy: -59.278
flat angles P-C4'-P energy: -42.230
tors. eta vs tors. theta energy: -80.648
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: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -872.540056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.540056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.540056 (E_RNA)
where:
Base-Base interactions energy: -589.105
where: short stacking energy: -270.000
Base-Backbone interact. energy: -1.512
local terms energy: -281.923061
where:
bonds (distance) C4'-P energy: -53.168
bonds (distance) P-C4' energy: -58.228
flat angles C4'-P-C4' energy: -58.842
flat angles P-C4'-P energy: -36.288
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: 4, replica: 1
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -855.828558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.828558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.828558 (E_RNA)
where:
Base-Base interactions energy: -589.893
where: short stacking energy: -255.691
Base-Backbone interact. energy: -0.341
local terms energy: -265.595191
where:
bonds (distance) C4'-P energy: -51.113
bonds (distance) P-C4' energy: -50.000
flat angles C4'-P-C4' energy: -56.110
flat angles P-C4'-P energy: -37.484
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: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -858.992673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.992673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.992673 (E_RNA)
where:
Base-Base interactions energy: -579.515
where: short stacking energy: -248.161
Base-Backbone interact. energy: -1.085
local terms energy: -278.393416
where:
bonds (distance) C4'-P energy: -53.298
bonds (distance) P-C4' energy: -47.945
flat angles C4'-P-C4' energy: -60.434
flat angles P-C4'-P energy: -45.237
tors. eta vs tors. theta energy: -71.479
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: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -793.616785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.616785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.616785 (E_RNA)
where:
Base-Base interactions energy: -535.308
where: short stacking energy: -223.362
Base-Backbone interact. energy: -1.289
local terms energy: -257.019872
where:
bonds (distance) C4'-P energy: -53.679
bonds (distance) P-C4' energy: -58.413
flat angles C4'-P-C4' energy: -51.742
flat angles P-C4'-P energy: -32.997
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: 7, replica: 5
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -752.541319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.541319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.541319 (E_RNA)
where:
Base-Base interactions energy: -525.154
where: short stacking energy: -219.198
Base-Backbone interact. energy: -0.659
local terms energy: -226.727849
where:
bonds (distance) C4'-P energy: -37.573
bonds (distance) P-C4' energy: -39.480
flat angles C4'-P-C4' energy: -62.842
flat angles P-C4'-P energy: -25.917
tors. eta vs tors. theta energy: -60.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -685.774584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.774584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.774584 (E_RNA)
where:
Base-Base interactions energy: -470.654
where: short stacking energy: -197.144
Base-Backbone interact. energy: 1.333
local terms energy: -216.453158
where:
bonds (distance) C4'-P energy: -48.422
bonds (distance) P-C4' energy: -37.510
flat angles C4'-P-C4' energy: -48.141
flat angles P-C4'-P energy: -31.912
tors. eta vs tors. theta energy: -50.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -491.595773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.595773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.595773 (E_RNA)
where:
Base-Base interactions energy: -309.295
where: short stacking energy: -136.308
Base-Backbone interact. energy: 0.491
local terms energy: -182.791244
where:
bonds (distance) C4'-P energy: -30.934
bonds (distance) P-C4' energy: -50.579
flat angles C4'-P-C4' energy: -52.219
flat angles P-C4'-P energy: -27.053
tors. eta vs tors. theta energy: -22.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -401.237640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.237640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.237640 (E_RNA)
where:
Base-Base interactions energy: -234.646
where: short stacking energy: -123.231
Base-Backbone interact. energy: 3.040
local terms energy: -169.632603
where:
bonds (distance) C4'-P energy: -33.155
bonds (distance) P-C4' energy: -45.281
flat angles C4'-P-C4' energy: -42.549
flat angles P-C4'-P energy: -27.156
tors. eta vs tors. theta energy: -21.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -953.738479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.738479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.738479 (E_RNA)
where:
Base-Base interactions energy: -655.049
where: short stacking energy: -276.018
Base-Backbone interact. energy: -0.994
local terms energy: -297.695775
where:
bonds (distance) C4'-P energy: -50.780
bonds (distance) P-C4' energy: -53.782
flat angles C4'-P-C4' energy: -62.507
flat angles P-C4'-P energy: -46.977
tors. eta vs tors. theta energy: -83.650
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: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -917.338131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.338131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.338131 (E_RNA)
where:
Base-Base interactions energy: -656.955
where: short stacking energy: -271.448
Base-Backbone interact. energy: -1.425
local terms energy: -258.958126
where:
bonds (distance) C4'-P energy: -51.292
bonds (distance) P-C4' energy: -46.529
flat angles C4'-P-C4' energy: -54.464
flat angles P-C4'-P energy: -28.123
tors. eta vs tors. theta energy: -78.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -873.256855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.256855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.256855 (E_RNA)
where:
Base-Base interactions energy: -599.880
where: short stacking energy: -259.947
Base-Backbone interact. energy: -0.549
local terms energy: -272.827949
where:
bonds (distance) C4'-P energy: -48.202
bonds (distance) P-C4' energy: -51.609
flat angles C4'-P-C4' energy: -52.727
flat angles P-C4'-P energy: -44.245
tors. eta vs tors. theta energy: -76.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -840.251789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.251789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.251789 (E_RNA)
where:
Base-Base interactions energy: -590.308
where: short stacking energy: -244.401
Base-Backbone interact. energy: 0.050
local terms energy: -249.993715
where:
bonds (distance) C4'-P energy: -43.676
bonds (distance) P-C4' energy: -49.604
flat angles C4'-P-C4' energy: -58.445
flat angles P-C4'-P energy: -33.050
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: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -851.291611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.291611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.291611 (E_RNA)
where:
Base-Base interactions energy: -585.016
where: short stacking energy: -251.671
Base-Backbone interact. energy: 0.535
local terms energy: -266.810641
where:
bonds (distance) C4'-P energy: -49.768
bonds (distance) P-C4' energy: -52.936
flat angles C4'-P-C4' energy: -53.401
flat angles P-C4'-P energy: -33.772
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: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -750.305722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.305722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.305722 (E_RNA)
where:
Base-Base interactions energy: -506.956
where: short stacking energy: -235.673
Base-Backbone interact. energy: -0.960
local terms energy: -242.390119
where:
bonds (distance) C4'-P energy: -43.449
bonds (distance) P-C4' energy: -53.761
flat angles C4'-P-C4' energy: -47.312
flat angles P-C4'-P energy: -37.723
tors. eta vs tors. theta energy: -60.145
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: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -786.467693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.467693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.467693 (E_RNA)
where:
Base-Base interactions energy: -533.538
where: short stacking energy: -220.972
Base-Backbone interact. energy: -0.018
local terms energy: -252.912153
where:
bonds (distance) C4'-P energy: -49.936
bonds (distance) P-C4' energy: -51.805
flat angles C4'-P-C4' energy: -51.333
flat angles P-C4'-P energy: -32.247
tors. eta vs tors. theta energy: -67.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -690.285196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.285196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.285196 (E_RNA)
where:
Base-Base interactions energy: -466.997
where: short stacking energy: -194.321
Base-Backbone interact. energy: -1.097
local terms energy: -222.190789
where:
bonds (distance) C4'-P energy: -38.792
bonds (distance) P-C4' energy: -49.797
flat angles C4'-P-C4' energy: -54.138
flat angles P-C4'-P energy: -23.596
tors. eta vs tors. theta energy: -55.867
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: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -481.425781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.425781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.425781 (E_RNA)
where:
Base-Base interactions energy: -305.111
where: short stacking energy: -142.281
Base-Backbone interact. energy: 0.383
local terms energy: -176.697810
where:
bonds (distance) C4'-P energy: -40.883
bonds (distance) P-C4' energy: -37.210
flat angles C4'-P-C4' energy: -45.652
flat angles P-C4'-P energy: -33.041
tors. eta vs tors. theta energy: -19.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -389.921100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.921100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.921100 (E_RNA)
where:
Base-Base interactions energy: -228.150
where: short stacking energy: -87.923
Base-Backbone interact. energy: -0.032
local terms energy: -161.739096
where:
bonds (distance) C4'-P energy: -44.481
bonds (distance) P-C4' energy: -41.896
flat angles C4'-P-C4' energy: -39.330
flat angles P-C4'-P energy: -29.628
tors. eta vs tors. theta energy: -6.403
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: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -968.214565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.214565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.214565 (E_RNA)
where:
Base-Base interactions energy: -670.527
where: short stacking energy: -286.340
Base-Backbone interact. energy: 1.965
local terms energy: -299.652052
where:
bonds (distance) C4'-P energy: -55.587
bonds (distance) P-C4' energy: -51.151
flat angles C4'-P-C4' energy: -61.762
flat angles P-C4'-P energy: -45.134
tors. eta vs tors. theta energy: -86.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -905.511323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.511323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.511323 (E_RNA)
where:
Base-Base interactions energy: -625.059
where: short stacking energy: -257.901
Base-Backbone interact. energy: -0.913
local terms energy: -279.539356
where:
bonds (distance) C4'-P energy: -51.229
bonds (distance) P-C4' energy: -48.557
flat angles C4'-P-C4' energy: -58.150
flat angles P-C4'-P energy: -39.756
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: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -857.912678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.912678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.912678 (E_RNA)
where:
Base-Base interactions energy: -589.532
where: short stacking energy: -264.244
Base-Backbone interact. energy: -1.939
local terms energy: -266.441294
where:
bonds (distance) C4'-P energy: -45.229
bonds (distance) P-C4' energy: -46.837
flat angles C4'-P-C4' energy: -60.492
flat angles P-C4'-P energy: -35.719
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: 4, replica: 1
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -840.003666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.003666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.003666 (E_RNA)
where:
Base-Base interactions energy: -585.933
where: short stacking energy: -241.242
Base-Backbone interact. energy: -1.268
local terms energy: -252.803041
where:
bonds (distance) C4'-P energy: -55.002
bonds (distance) P-C4' energy: -48.279
flat angles C4'-P-C4' energy: -54.509
flat angles P-C4'-P energy: -34.838
tors. eta vs tors. theta energy: -60.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -841.731316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.731316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.731316 (E_RNA)
where:
Base-Base interactions energy: -579.009
where: short stacking energy: -262.564
Base-Backbone interact. energy: 0.218
local terms energy: -262.940488
where:
bonds (distance) C4'-P energy: -52.205
bonds (distance) P-C4' energy: -47.573
flat angles C4'-P-C4' energy: -53.920
flat angles P-C4'-P energy: -32.320
tors. eta vs tors. theta energy: -76.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -791.361463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.361463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.361463 (E_RNA)
where:
Base-Base interactions energy: -540.243
where: short stacking energy: -232.203
Base-Backbone interact. energy: -0.256
local terms energy: -250.862485
where:
bonds (distance) C4'-P energy: -41.725
bonds (distance) P-C4' energy: -47.709
flat angles C4'-P-C4' energy: -52.565
flat angles P-C4'-P energy: -42.010
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: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -739.685383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.685383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.685383 (E_RNA)
where:
Base-Base interactions energy: -508.508
where: short stacking energy: -215.853
Base-Backbone interact. energy: -1.588
local terms energy: -229.590182
where:
bonds (distance) C4'-P energy: -43.119
bonds (distance) P-C4' energy: -44.944
flat angles C4'-P-C4' energy: -53.300
flat angles P-C4'-P energy: -30.631
tors. eta vs tors. theta energy: -57.597
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: 3
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -748.386160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.386160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.386160 (E_RNA)
where:
Base-Base interactions energy: -504.269
where: short stacking energy: -202.607
Base-Backbone interact. energy: -0.177
local terms energy: -243.940412
where:
bonds (distance) C4'-P energy: -35.451
bonds (distance) P-C4' energy: -43.988
flat angles C4'-P-C4' energy: -55.791
flat angles P-C4'-P energy: -43.191
tors. eta vs tors. theta energy: -65.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -441.038107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.038107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.038107 (E_RNA)
where:
Base-Base interactions energy: -252.558
where: short stacking energy: -126.979
Base-Backbone interact. energy: 1.402
local terms energy: -189.881783
where:
bonds (distance) C4'-P energy: -42.461
bonds (distance) P-C4' energy: -40.209
flat angles C4'-P-C4' energy: -54.282
flat angles P-C4'-P energy: -23.542
tors. eta vs tors. theta energy: -29.388
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: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -417.199563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.199563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.199563 (E_RNA)
where:
Base-Base interactions energy: -228.629
where: short stacking energy: -118.920
Base-Backbone interact. energy: 0.012
local terms energy: -188.582365
where:
bonds (distance) C4'-P energy: -42.281
bonds (distance) P-C4' energy: -56.924
flat angles C4'-P-C4' energy: -38.297
flat angles P-C4'-P energy: -28.639
tors. eta vs tors. theta energy: -22.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -954.409602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.409602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.409602 (E_RNA)
where:
Base-Base interactions energy: -674.885
where: short stacking energy: -290.783
Base-Backbone interact. energy: -0.537
local terms energy: -278.987364
where:
bonds (distance) C4'-P energy: -48.387
bonds (distance) P-C4' energy: -54.159
flat angles C4'-P-C4' energy: -56.595
flat angles P-C4'-P energy: -37.740
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: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -922.753913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.753913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.753913 (E_RNA)
where:
Base-Base interactions energy: -649.175
where: short stacking energy: -271.402
Base-Backbone interact. energy: -1.002
local terms energy: -272.576387
where:
bonds (distance) C4'-P energy: -48.343
bonds (distance) P-C4' energy: -36.492
flat angles C4'-P-C4' energy: -58.752
flat angles P-C4'-P energy: -44.619
tors. eta vs tors. theta energy: -84.370
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: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -876.208462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.208462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.208462 (E_RNA)
where:
Base-Base interactions energy: -587.529
where: short stacking energy: -277.953
Base-Backbone interact. energy: -0.906
local terms energy: -287.772668
where:
bonds (distance) C4'-P energy: -49.695
bonds (distance) P-C4' energy: -47.899
flat angles C4'-P-C4' energy: -63.106
flat angles P-C4'-P energy: -42.853
tors. eta vs tors. theta energy: -84.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -857.194609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.194609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.194609 (E_RNA)
where:
Base-Base interactions energy: -591.525
where: short stacking energy: -258.960
Base-Backbone interact. energy: 0.378
local terms energy: -266.047296
where:
bonds (distance) C4'-P energy: -43.763
bonds (distance) P-C4' energy: -48.795
flat angles C4'-P-C4' energy: -61.486
flat angles P-C4'-P energy: -37.097
tors. eta vs tors. theta energy: -74.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -865.235198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.235198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.235198 (E_RNA)
where:
Base-Base interactions energy: -614.625
where: short stacking energy: -275.984
Base-Backbone interact. energy: -0.328
local terms energy: -250.282304
where:
bonds (distance) C4'-P energy: -46.965
bonds (distance) P-C4' energy: -45.365
flat angles C4'-P-C4' energy: -55.251
flat angles P-C4'-P energy: -31.307
tors. eta vs tors. theta energy: -71.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -780.268521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.268521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.268521 (E_RNA)
where:
Base-Base interactions energy: -527.680
where: short stacking energy: -213.000
Base-Backbone interact. energy: -1.300
local terms energy: -251.288456
where:
bonds (distance) C4'-P energy: -52.163
bonds (distance) P-C4' energy: -47.044
flat angles C4'-P-C4' energy: -51.440
flat angles P-C4'-P energy: -42.094
tors. eta vs tors. theta energy: -58.547
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: 235
Temperature: 1.200000
Total energy: -746.672128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.672128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.672128 (E_RNA)
where:
Base-Base interactions energy: -511.976
where: short stacking energy: -221.476
Base-Backbone interact. energy: 2.517
local terms energy: -237.212691
where:
bonds (distance) C4'-P energy: -43.897
bonds (distance) P-C4' energy: -47.064
flat angles C4'-P-C4' energy: -52.194
flat angles P-C4'-P energy: -32.702
tors. eta vs tors. theta energy: -61.356
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: 8, replica: 3
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -714.783527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.783527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.783527 (E_RNA)
where:
Base-Base interactions energy: -482.498
where: short stacking energy: -211.089
Base-Backbone interact. energy: -0.493
local terms energy: -231.792318
where:
bonds (distance) C4'-P energy: -51.855
bonds (distance) P-C4' energy: -46.849
flat angles C4'-P-C4' energy: -56.022
flat angles P-C4'-P energy: -21.831
tors. eta vs tors. theta energy: -55.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -430.572025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.572025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.572025 (E_RNA)
where:
Base-Base interactions energy: -253.984
where: short stacking energy: -112.401
Base-Backbone interact. energy: -1.320
local terms energy: -175.267607
where:
bonds (distance) C4'-P energy: -51.921
bonds (distance) P-C4' energy: -48.817
flat angles C4'-P-C4' energy: -36.108
flat angles P-C4'-P energy: -26.334
tors. eta vs tors. theta energy: -12.088
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: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -441.646253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.646253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.646253 (E_RNA)
where:
Base-Base interactions energy: -262.667
where: short stacking energy: -135.001
Base-Backbone interact. energy: -0.132
local terms energy: -178.847272
where:
bonds (distance) C4'-P energy: -44.206
bonds (distance) P-C4' energy: -40.900
flat angles C4'-P-C4' energy: -51.971
flat angles P-C4'-P energy: -23.817
tors. eta vs tors. theta energy: -17.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -950.014273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.014273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.014273 (E_RNA)
where:
Base-Base interactions energy: -663.720
where: short stacking energy: -287.861
Base-Backbone interact. energy: -0.951
local terms energy: -285.343265
where:
bonds (distance) C4'-P energy: -48.854
bonds (distance) P-C4' energy: -49.071
flat angles C4'-P-C4' energy: -63.496
flat angles P-C4'-P energy: -39.713
tors. eta vs tors. theta energy: -84.209
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: 2, replica: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -929.913781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.913781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.913781 (E_RNA)
where:
Base-Base interactions energy: -638.547
where: short stacking energy: -266.425
Base-Backbone interact. energy: 1.330
local terms energy: -292.696617
where:
bonds (distance) C4'-P energy: -54.684
bonds (distance) P-C4' energy: -56.213
flat angles C4'-P-C4' energy: -60.132
flat angles P-C4'-P energy: -37.567
tors. eta vs tors. theta energy: -84.101
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: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -877.581176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.581176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.581176 (E_RNA)
where:
Base-Base interactions energy: -598.376
where: short stacking energy: -254.374
Base-Backbone interact. energy: -0.619
local terms energy: -278.585681
where:
bonds (distance) C4'-P energy: -52.799
bonds (distance) P-C4' energy: -43.766
flat angles C4'-P-C4' energy: -59.712
flat angles P-C4'-P energy: -48.097
tors. eta vs tors. theta energy: -74.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -841.867106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.867106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.867106 (E_RNA)
where:
Base-Base interactions energy: -589.167
where: short stacking energy: -242.716
Base-Backbone interact. energy: 0.509
local terms energy: -253.208371
where:
bonds (distance) C4'-P energy: -49.366
bonds (distance) P-C4' energy: -45.010
flat angles C4'-P-C4' energy: -52.108
flat angles P-C4'-P energy: -42.939
tors. eta vs tors. theta energy: -63.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -848.381276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.381276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.381276 (E_RNA)
where:
Base-Base interactions energy: -582.900
where: short stacking energy: -250.130
Base-Backbone interact. energy: -0.596
local terms energy: -264.884912
where:
bonds (distance) C4'-P energy: -46.618
bonds (distance) P-C4' energy: -53.241
flat angles C4'-P-C4' energy: -54.549
flat angles P-C4'-P energy: -38.494
tors. eta vs tors. theta energy: -71.983
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: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -791.085790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.085790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.085790 (E_RNA)
where:
Base-Base interactions energy: -540.397
where: short stacking energy: -230.119
Base-Backbone interact. energy: 0.629
local terms energy: -251.317573
where:
bonds (distance) C4'-P energy: -47.956
bonds (distance) P-C4' energy: -51.665
flat angles C4'-P-C4' energy: -47.745
flat angles P-C4'-P energy: -32.507
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: 7, replica: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -720.315840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.315840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.315840 (E_RNA)
where:
Base-Base interactions energy: -500.385
where: short stacking energy: -200.527
Base-Backbone interact. energy: -0.168
local terms energy: -219.762776
where:
bonds (distance) C4'-P energy: -48.995
bonds (distance) P-C4' energy: -51.602
flat angles C4'-P-C4' energy: -40.915
flat angles P-C4'-P energy: -29.629
tors. eta vs tors. theta energy: -48.622
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: 3
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -720.476945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.476945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.476945 (E_RNA)
where:
Base-Base interactions energy: -491.019
where: short stacking energy: -201.608
Base-Backbone interact. energy: -0.632
local terms energy: -228.826074
where:
bonds (distance) C4'-P energy: -44.483
bonds (distance) P-C4' energy: -44.601
flat angles C4'-P-C4' energy: -47.318
flat angles P-C4'-P energy: -34.488
tors. eta vs tors. theta energy: -57.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -482.835664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.835664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.835664 (E_RNA)
where:
Base-Base interactions energy: -296.147
where: short stacking energy: -134.826
Base-Backbone interact. energy: 1.160
local terms energy: -187.848868
where:
bonds (distance) C4'-P energy: -37.488
bonds (distance) P-C4' energy: -43.803
flat angles C4'-P-C4' energy: -51.150
flat angles P-C4'-P energy: -23.092
tors. eta vs tors. theta energy: -32.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -417.982430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.982430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.982430 (E_RNA)
where:
Base-Base interactions energy: -229.172
where: short stacking energy: -103.400
Base-Backbone interact. energy: -2.513
local terms energy: -186.297411
where:
bonds (distance) C4'-P energy: -42.072
bonds (distance) P-C4' energy: -42.722
flat angles C4'-P-C4' energy: -46.980
flat angles P-C4'-P energy: -30.303
tors. eta vs tors. theta energy: -24.219
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: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -948.706707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.706707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.706707 (E_RNA)
where:
Base-Base interactions energy: -648.034
where: short stacking energy: -275.235
Base-Backbone interact. energy: -0.729
local terms energy: -299.943048
where:
bonds (distance) C4'-P energy: -52.313
bonds (distance) P-C4' energy: -62.314
flat angles C4'-P-C4' energy: -61.666
flat angles P-C4'-P energy: -40.913
tors. eta vs tors. theta energy: -82.737
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: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -931.256010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.256010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.256010 (E_RNA)
where:
Base-Base interactions energy: -650.657
where: short stacking energy: -267.241
Base-Backbone interact. energy: 0.730
local terms energy: -281.329032
where:
bonds (distance) C4'-P energy: -48.555
bonds (distance) P-C4' energy: -47.414
flat angles C4'-P-C4' energy: -62.185
flat angles P-C4'-P energy: -42.848
tors. eta vs tors. theta energy: -80.327
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: 3, replica: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -895.548872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.548872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.548872 (E_RNA)
where:
Base-Base interactions energy: -609.529
where: short stacking energy: -272.581
Base-Backbone interact. energy: -1.302
local terms energy: -284.717979
where:
bonds (distance) C4'-P energy: -56.074
bonds (distance) P-C4' energy: -54.150
flat angles C4'-P-C4' energy: -54.466
flat angles P-C4'-P energy: -38.450
tors. eta vs tors. theta energy: -81.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -861.913292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.913292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.913292 (E_RNA)
where:
Base-Base interactions energy: -604.459
where: short stacking energy: -255.053
Base-Backbone interact. energy: -0.844
local terms energy: -256.610897
where:
bonds (distance) C4'-P energy: -36.907
bonds (distance) P-C4' energy: -53.423
flat angles C4'-P-C4' energy: -54.680
flat angles P-C4'-P energy: -39.983
tors. eta vs tors. theta energy: -71.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -820.341753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.341753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.341753 (E_RNA)
where:
Base-Base interactions energy: -563.132
where: short stacking energy: -235.934
Base-Backbone interact. energy: -1.166
local terms energy: -256.043415
where:
bonds (distance) C4'-P energy: -47.813
bonds (distance) P-C4' energy: -46.149
flat angles C4'-P-C4' energy: -57.643
flat angles P-C4'-P energy: -40.721
tors. eta vs tors. theta energy: -63.716
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: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -767.809702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.809702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.809702 (E_RNA)
where:
Base-Base interactions energy: -527.894
where: short stacking energy: -204.306
Base-Backbone interact. energy: -0.125
local terms energy: -239.790093
where:
bonds (distance) C4'-P energy: -40.098
bonds (distance) P-C4' energy: -49.074
flat angles C4'-P-C4' energy: -52.754
flat angles P-C4'-P energy: -37.852
tors. eta vs tors. theta energy: -60.012
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: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -722.185595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.185595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.185595 (E_RNA)
where:
Base-Base interactions energy: -503.922
where: short stacking energy: -223.853
Base-Backbone interact. energy: -0.245
local terms energy: -218.018725
where:
bonds (distance) C4'-P energy: -47.201
bonds (distance) P-C4' energy: -48.736
flat angles C4'-P-C4' energy: -41.078
flat angles P-C4'-P energy: -24.870
tors. eta vs tors. theta energy: -56.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -732.381481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.381481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.381481 (E_RNA)
where:
Base-Base interactions energy: -507.560
where: short stacking energy: -219.500
Base-Backbone interact. energy: 3.117
local terms energy: -227.937920
where:
bonds (distance) C4'-P energy: -36.458
bonds (distance) P-C4' energy: -42.850
flat angles C4'-P-C4' energy: -52.262
flat angles P-C4'-P energy: -35.303
tors. eta vs tors. theta energy: -61.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -485.797222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.797222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.797222 (E_RNA)
where:
Base-Base interactions energy: -298.340
where: short stacking energy: -151.367
Base-Backbone interact. energy: 0.934
local terms energy: -188.390905
where:
bonds (distance) C4'-P energy: -41.052
bonds (distance) P-C4' energy: -52.582
flat angles C4'-P-C4' energy: -32.061
flat angles P-C4'-P energy: -29.823
tors. eta vs tors. theta energy: -32.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -455.952996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.952996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.952996 (E_RNA)
where:
Base-Base interactions energy: -284.123
where: short stacking energy: -130.214
Base-Backbone interact. energy: 2.332
local terms energy: -174.161934
where:
bonds (distance) C4'-P energy: -39.904
bonds (distance) P-C4' energy: -46.770
flat angles C4'-P-C4' energy: -34.871
flat angles P-C4'-P energy: -34.456
tors. eta vs tors. theta energy: -18.161
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: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -949.474135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.474135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.474135 (E_RNA)
where:
Base-Base interactions energy: -659.772
where: short stacking energy: -275.170
Base-Backbone interact. energy: -0.790
local terms energy: -288.911843
where:
bonds (distance) C4'-P energy: -50.372
bonds (distance) P-C4' energy: -53.506
flat angles C4'-P-C4' energy: -58.582
flat angles P-C4'-P energy: -43.734
tors. eta vs tors. theta energy: -82.718
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: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -931.277615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.277615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.277615 (E_RNA)
where:
Base-Base interactions energy: -643.627
where: short stacking energy: -270.371
Base-Backbone interact. energy: -1.724
local terms energy: -285.926141
where:
bonds (distance) C4'-P energy: -55.333
bonds (distance) P-C4' energy: -60.757
flat angles C4'-P-C4' energy: -62.963
flat angles P-C4'-P energy: -31.776
tors. eta vs tors. theta energy: -75.098
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: 238
Temperature: 1.000000
Total energy: -904.824353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.824353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.824353 (E_RNA)
where:
Base-Base interactions energy: -614.791
where: short stacking energy: -271.521
Base-Backbone interact. energy: -0.113
local terms energy: -289.920624
where:
bonds (distance) C4'-P energy: -51.701
bonds (distance) P-C4' energy: -53.031
flat angles C4'-P-C4' energy: -61.948
flat angles P-C4'-P energy: -45.298
tors. eta vs tors. theta energy: -77.942
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: 4, replica: 1
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -835.262307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.262307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.262307 (E_RNA)
where:
Base-Base interactions energy: -583.951
where: short stacking energy: -250.724
Base-Backbone interact. energy: -0.448
local terms energy: -250.863187
where:
bonds (distance) C4'-P energy: -52.668
bonds (distance) P-C4' energy: -46.598
flat angles C4'-P-C4' energy: -46.023
flat angles P-C4'-P energy: -39.563
tors. eta vs tors. theta energy: -66.011
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: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -809.666228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.666228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.666228 (E_RNA)
where:
Base-Base interactions energy: -569.881
where: short stacking energy: -237.467
Base-Backbone interact. energy: -0.542
local terms energy: -239.243820
where:
bonds (distance) C4'-P energy: -41.328
bonds (distance) P-C4' energy: -45.735
flat angles C4'-P-C4' energy: -49.056
flat angles P-C4'-P energy: -34.326
tors. eta vs tors. theta energy: -68.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -790.553030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.553030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.553030 (E_RNA)
where:
Base-Base interactions energy: -545.256
where: short stacking energy: -232.683
Base-Backbone interact. energy: -1.113
local terms energy: -244.183678
where:
bonds (distance) C4'-P energy: -46.707
bonds (distance) P-C4' energy: -54.009
flat angles C4'-P-C4' energy: -46.093
flat angles P-C4'-P energy: -34.112
tors. eta vs tors. theta energy: -63.261
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: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -728.325388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.325388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.325388 (E_RNA)
where:
Base-Base interactions energy: -505.971
where: short stacking energy: -217.244
Base-Backbone interact. energy: -1.098
local terms energy: -221.256531
where:
bonds (distance) C4'-P energy: -39.451
bonds (distance) P-C4' energy: -44.951
flat angles C4'-P-C4' energy: -50.875
flat angles P-C4'-P energy: -33.248
tors. eta vs tors. theta energy: -52.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -692.941209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.941209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.941209 (E_RNA)
where:
Base-Base interactions energy: -460.011
where: short stacking energy: -201.227
Base-Backbone interact. energy: -1.482
local terms energy: -231.448296
where:
bonds (distance) C4'-P energy: -43.995
bonds (distance) P-C4' energy: -49.087
flat angles C4'-P-C4' energy: -43.711
flat angles P-C4'-P energy: -36.124
tors. eta vs tors. theta energy: -58.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -460.784353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.784353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.784353 (E_RNA)
where:
Base-Base interactions energy: -272.222
where: short stacking energy: -129.877
Base-Backbone interact. energy: -1.567
local terms energy: -186.995138
where:
bonds (distance) C4'-P energy: -31.515
bonds (distance) P-C4' energy: -40.850
flat angles C4'-P-C4' energy: -52.683
flat angles P-C4'-P energy: -36.712
tors. eta vs tors. theta energy: -25.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -418.818582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.818582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.818582 (E_RNA)
where:
Base-Base interactions energy: -243.334
where: short stacking energy: -108.892
Base-Backbone interact. energy: -0.707
local terms energy: -174.777952
where:
bonds (distance) C4'-P energy: -46.166
bonds (distance) P-C4' energy: -43.734
flat angles C4'-P-C4' energy: -37.892
flat angles P-C4'-P energy: -28.770
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -946.508517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.508517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.508517 (E_RNA)
where:
Base-Base interactions energy: -662.451
where: short stacking energy: -276.340
Base-Backbone interact. energy: -1.562
local terms energy: -282.495005
where:
bonds (distance) C4'-P energy: -47.749
bonds (distance) P-C4' energy: -56.140
flat angles C4'-P-C4' energy: -65.992
flat angles P-C4'-P energy: -36.562
tors. eta vs tors. theta energy: -76.052
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: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -914.804024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.804024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.804024 (E_RNA)
where:
Base-Base interactions energy: -628.661
where: short stacking energy: -269.911
Base-Backbone interact. energy: 0.157
local terms energy: -286.299416
where:
bonds (distance) C4'-P energy: -52.538
bonds (distance) P-C4' energy: -50.086
flat angles C4'-P-C4' energy: -58.513
flat angles P-C4'-P energy: -42.887
tors. eta vs tors. theta energy: -82.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -910.667527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.667527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.667527 (E_RNA)
where:
Base-Base interactions energy: -629.413
where: short stacking energy: -263.531
Base-Backbone interact. energy: 2.475
local terms energy: -283.729156
where:
bonds (distance) C4'-P energy: -52.927
bonds (distance) P-C4' energy: -50.441
flat angles C4'-P-C4' energy: -56.838
flat angles P-C4'-P energy: -45.827
tors. eta vs tors. theta energy: -77.695
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: 4, replica: 1
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -853.914318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.914318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.914318 (E_RNA)
where:
Base-Base interactions energy: -587.168
where: short stacking energy: -246.453
Base-Backbone interact. energy: 0.336
local terms energy: -267.082001
where:
bonds (distance) C4'-P energy: -54.703
bonds (distance) P-C4' energy: -51.394
flat angles C4'-P-C4' energy: -52.886
flat angles P-C4'-P energy: -37.371
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: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -829.054136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.054136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.054136 (E_RNA)
where:
Base-Base interactions energy: -568.744
where: short stacking energy: -241.595
Base-Backbone interact. energy: -0.555
local terms energy: -259.755283
where:
bonds (distance) C4'-P energy: -56.872
bonds (distance) P-C4' energy: -47.449
flat angles C4'-P-C4' energy: -51.289
flat angles P-C4'-P energy: -38.124
tors. eta vs tors. theta energy: -66.021
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: 6, replica: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -780.362690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.362690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.362690 (E_RNA)
where:
Base-Base interactions energy: -539.070
where: short stacking energy: -225.960
Base-Backbone interact. energy: -1.862
local terms energy: -239.430460
where:
bonds (distance) C4'-P energy: -37.454
bonds (distance) P-C4' energy: -53.501
flat angles C4'-P-C4' energy: -55.105
flat angles P-C4'-P energy: -37.145
tors. eta vs tors. theta energy: -56.226
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: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -730.112015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.112015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.112015 (E_RNA)
where:
Base-Base interactions energy: -492.279
where: short stacking energy: -221.937
Base-Backbone interact. energy: -0.795
local terms energy: -237.037849
where:
bonds (distance) C4'-P energy: -47.003
bonds (distance) P-C4' energy: -53.162
flat angles C4'-P-C4' energy: -55.866
flat angles P-C4'-P energy: -23.106
tors. eta vs tors. theta energy: -57.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -692.590120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.590120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.590120 (E_RNA)
where:
Base-Base interactions energy: -469.059
where: short stacking energy: -193.174
Base-Backbone interact. energy: -0.145
local terms energy: -223.385621
where:
bonds (distance) C4'-P energy: -48.072
bonds (distance) P-C4' energy: -49.963
flat angles C4'-P-C4' energy: -52.400
flat angles P-C4'-P energy: -30.939
tors. eta vs tors. theta energy: -42.011
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: 239
Temperature: 1.300000
Total energy: -491.492814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.492814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.492814 (E_RNA)
where:
Base-Base interactions energy: -304.587
where: short stacking energy: -124.354
Base-Backbone interact. energy: -2.283
local terms energy: -184.622810
where:
bonds (distance) C4'-P energy: -38.365
bonds (distance) P-C4' energy: -49.404
flat angles C4'-P-C4' energy: -39.341
flat angles P-C4'-P energy: -28.036
tors. eta vs tors. theta energy: -29.478
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: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -446.520844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.520844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.520844 (E_RNA)
where:
Base-Base interactions energy: -272.034
where: short stacking energy: -117.616
Base-Backbone interact. energy: -0.944
local terms energy: -173.543198
where:
bonds (distance) C4'-P energy: -47.707
bonds (distance) P-C4' energy: -37.051
flat angles C4'-P-C4' energy: -42.497
flat angles P-C4'-P energy: -32.730
tors. eta vs tors. theta energy: -13.558
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: 1, replica: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -930.901147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.901147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.901147 (E_RNA)
where:
Base-Base interactions energy: -642.699
where: short stacking energy: -280.549
Base-Backbone interact. energy: -1.762
local terms energy: -286.439876
where:
bonds (distance) C4'-P energy: -57.694
bonds (distance) P-C4' energy: -44.019
flat angles C4'-P-C4' energy: -56.488
flat angles P-C4'-P energy: -45.027
tors. eta vs tors. theta energy: -83.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -960.547217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.547217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.547217 (E_RNA)
where:
Base-Base interactions energy: -663.258
where: short stacking energy: -287.181
Base-Backbone interact. energy: -1.469
local terms energy: -295.819798
where:
bonds (distance) C4'-P energy: -56.800
bonds (distance) P-C4' energy: -56.609
flat angles C4'-P-C4' energy: -60.005
flat angles P-C4'-P energy: -42.404
tors. eta vs tors. theta energy: -80.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -903.891081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.891081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.891081 (E_RNA)
where:
Base-Base interactions energy: -632.492
where: short stacking energy: -278.845
Base-Backbone interact. energy: 0.692
local terms energy: -272.091124
where:
bonds (distance) C4'-P energy: -43.134
bonds (distance) P-C4' energy: -50.495
flat angles C4'-P-C4' energy: -53.249
flat angles P-C4'-P energy: -45.522
tors. eta vs tors. theta energy: -79.691
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: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -843.475319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.475319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.475319 (E_RNA)
where:
Base-Base interactions energy: -591.130
where: short stacking energy: -254.532
Base-Backbone interact. energy: -0.428
local terms energy: -251.917339
where:
bonds (distance) C4'-P energy: -51.248
bonds (distance) P-C4' energy: -51.994
flat angles C4'-P-C4' energy: -40.569
flat angles P-C4'-P energy: -35.901
tors. eta vs tors. theta energy: -72.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -830.655544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.655544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.655544 (E_RNA)
where:
Base-Base interactions energy: -574.469
where: short stacking energy: -257.474
Base-Backbone interact. energy: 0.716
local terms energy: -256.902261
where:
bonds (distance) C4'-P energy: -47.331
bonds (distance) P-C4' energy: -49.220
flat angles C4'-P-C4' energy: -51.195
flat angles P-C4'-P energy: -35.623
tors. eta vs tors. theta energy: -73.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -806.079212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.079212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.079212 (E_RNA)
where:
Base-Base interactions energy: -554.298
where: short stacking energy: -230.717
Base-Backbone interact. energy: -0.798
local terms energy: -250.983207
where:
bonds (distance) C4'-P energy: -47.524
bonds (distance) P-C4' energy: -48.310
flat angles C4'-P-C4' energy: -59.249
flat angles P-C4'-P energy: -29.118
tors. eta vs tors. theta energy: -66.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -742.844696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.844696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.844696 (E_RNA)
where:
Base-Base interactions energy: -515.427
where: short stacking energy: -209.276
Base-Backbone interact. energy: -0.883
local terms energy: -226.534553
where:
bonds (distance) C4'-P energy: -45.640
bonds (distance) P-C4' energy: -44.147
flat angles C4'-P-C4' energy: -48.090
flat angles P-C4'-P energy: -33.244
tors. eta vs tors. theta energy: -55.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -723.555127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.555127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.555127 (E_RNA)
where:
Base-Base interactions energy: -506.156
where: short stacking energy: -217.813
Base-Backbone interact. energy: 0.082
local terms energy: -217.481512
where:
bonds (distance) C4'-P energy: -44.455
bonds (distance) P-C4' energy: -37.302
flat angles C4'-P-C4' energy: -47.171
flat angles P-C4'-P energy: -27.051
tors. eta vs tors. theta energy: -61.502
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: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -483.212329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.212329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.212329 (E_RNA)
where:
Base-Base interactions energy: -293.390
where: short stacking energy: -139.260
Base-Backbone interact. energy: -0.266
local terms energy: -189.555962
where:
bonds (distance) C4'-P energy: -36.795
bonds (distance) P-C4' energy: -48.885
flat angles C4'-P-C4' energy: -43.647
flat angles P-C4'-P energy: -28.631
tors. eta vs tors. theta energy: -31.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -444.142091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.142091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.142091 (E_RNA)
where:
Base-Base interactions energy: -256.351
where: short stacking energy: -124.832
Base-Backbone interact. energy: 0.441
local terms energy: -188.231240
where:
bonds (distance) C4'-P energy: -43.973
bonds (distance) P-C4' energy: -53.795
flat angles C4'-P-C4' energy: -43.906
flat angles P-C4'-P energy: -27.914
tors. eta vs tors. theta energy: -18.643
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: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -934.968402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.968402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.968402 (E_RNA)
where:
Base-Base interactions energy: -649.797
where: short stacking energy: -286.482
Base-Backbone interact. energy: -1.034
local terms energy: -284.137230
where:
bonds (distance) C4'-P energy: -51.498
bonds (distance) P-C4' energy: -52.724
flat angles C4'-P-C4' energy: -61.434
flat angles P-C4'-P energy: -39.681
tors. eta vs tors. theta energy: -78.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -945.711216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.711216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.711216 (E_RNA)
where:
Base-Base interactions energy: -662.146
where: short stacking energy: -273.237
Base-Backbone interact. energy: -1.292
local terms energy: -282.273267
where:
bonds (distance) C4'-P energy: -47.397
bonds (distance) P-C4' energy: -53.961
flat angles C4'-P-C4' energy: -56.395
flat angles P-C4'-P energy: -43.373
tors. eta vs tors. theta energy: -81.147
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: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -927.189828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.189828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.189828 (E_RNA)
where:
Base-Base interactions energy: -653.976
where: short stacking energy: -271.290
Base-Backbone interact. energy: 5.512
local terms energy: -278.725460
where:
bonds (distance) C4'-P energy: -52.439
bonds (distance) P-C4' energy: -51.918
flat angles C4'-P-C4' energy: -56.753
flat angles P-C4'-P energy: -36.478
tors. eta vs tors. theta energy: -81.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -819.019710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.019710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.019710 (E_RNA)
where:
Base-Base interactions energy: -563.379
where: short stacking energy: -242.672
Base-Backbone interact. energy: -0.010
local terms energy: -255.630342
where:
bonds (distance) C4'-P energy: -46.345
bonds (distance) P-C4' energy: -47.962
flat angles C4'-P-C4' energy: -53.535
flat angles P-C4'-P energy: -32.241
tors. eta vs tors. theta energy: -75.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -841.270695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.270695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.270695 (E_RNA)
where:
Base-Base interactions energy: -582.651
where: short stacking energy: -238.120
Base-Backbone interact. energy: 0.980
local terms energy: -259.599931
where:
bonds (distance) C4'-P energy: -44.408
bonds (distance) P-C4' energy: -49.733
flat angles C4'-P-C4' energy: -55.583
flat angles P-C4'-P energy: -37.662
tors. eta vs tors. theta energy: -72.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -817.447537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.447537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.447537 (E_RNA)
where:
Base-Base interactions energy: -586.079
where: short stacking energy: -236.698
Base-Backbone interact. energy: 1.553
local terms energy: -232.921396
where:
bonds (distance) C4'-P energy: -40.755
bonds (distance) P-C4' energy: -38.663
flat angles C4'-P-C4' energy: -56.926
flat angles P-C4'-P energy: -26.929
tors. eta vs tors. theta energy: -69.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -726.391028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.391028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.391028 (E_RNA)
where:
Base-Base interactions energy: -498.109
where: short stacking energy: -214.463
Base-Backbone interact. energy: -1.206
local terms energy: -227.076415
where:
bonds (distance) C4'-P energy: -40.772
bonds (distance) P-C4' energy: -43.818
flat angles C4'-P-C4' energy: -47.213
flat angles P-C4'-P energy: -35.026
tors. eta vs tors. theta energy: -60.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -732.141207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.141207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.141207 (E_RNA)
where:
Base-Base interactions energy: -492.150
where: short stacking energy: -194.450
Base-Backbone interact. energy: 4.222
local terms energy: -244.212753
where:
bonds (distance) C4'-P energy: -54.539
bonds (distance) P-C4' energy: -50.948
flat angles C4'-P-C4' energy: -52.459
flat angles P-C4'-P energy: -33.661
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: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -539.941653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.941653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.941653 (E_RNA)
where:
Base-Base interactions energy: -342.574
where: short stacking energy: -176.283
Base-Backbone interact. energy: -0.784
local terms energy: -196.583410
where:
bonds (distance) C4'-P energy: -44.200
bonds (distance) P-C4' energy: -39.872
flat angles C4'-P-C4' energy: -46.171
flat angles P-C4'-P energy: -29.549
tors. eta vs tors. theta energy: -36.790
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: 241
Temperature: 1.350000
Total energy: -393.374068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.374068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.374068 (E_RNA)
where:
Base-Base interactions energy: -235.252
where: short stacking energy: -113.024
Base-Backbone interact. energy: 1.685
local terms energy: -159.807607
where:
bonds (distance) C4'-P energy: -45.053
bonds (distance) P-C4' energy: -44.825
flat angles C4'-P-C4' energy: -34.556
flat angles P-C4'-P energy: -24.730
tors. eta vs tors. theta energy: -10.643
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: 2
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -951.646281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.646281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.646281 (E_RNA)
where:
Base-Base interactions energy: -653.157
where: short stacking energy: -292.423
Base-Backbone interact. energy: -0.417
local terms energy: -298.072035
where:
bonds (distance) C4'-P energy: -54.120
bonds (distance) P-C4' energy: -58.109
flat angles C4'-P-C4' energy: -59.200
flat angles P-C4'-P energy: -40.106
tors. eta vs tors. theta energy: -86.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -939.446192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.446192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.446192 (E_RNA)
where:
Base-Base interactions energy: -645.557
where: short stacking energy: -292.498
Base-Backbone interact. energy: -1.411
local terms energy: -292.478364
where:
bonds (distance) C4'-P energy: -46.409
bonds (distance) P-C4' energy: -51.271
flat angles C4'-P-C4' energy: -60.233
flat angles P-C4'-P energy: -45.412
tors. eta vs tors. theta energy: -89.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -883.012577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.012577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.012577 (E_RNA)
where:
Base-Base interactions energy: -627.563
where: short stacking energy: -247.330
Base-Backbone interact. energy: -0.898
local terms energy: -254.551183
where:
bonds (distance) C4'-P energy: -40.218
bonds (distance) P-C4' energy: -52.564
flat angles C4'-P-C4' energy: -55.521
flat angles P-C4'-P energy: -35.982
tors. eta vs tors. theta energy: -70.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -843.586919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.586919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.586919 (E_RNA)
where:
Base-Base interactions energy: -583.781
where: short stacking energy: -252.275
Base-Backbone interact. energy: 0.186
local terms energy: -259.992210
where:
bonds (distance) C4'-P energy: -44.891
bonds (distance) P-C4' energy: -49.867
flat angles C4'-P-C4' energy: -57.510
flat angles P-C4'-P energy: -31.217
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: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -816.119011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.119011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.119011 (E_RNA)
where:
Base-Base interactions energy: -554.224
where: short stacking energy: -227.885
Base-Backbone interact. energy: -0.817
local terms energy: -261.078096
where:
bonds (distance) C4'-P energy: -45.589
bonds (distance) P-C4' energy: -53.371
flat angles C4'-P-C4' energy: -52.968
flat angles P-C4'-P energy: -41.957
tors. eta vs tors. theta energy: -67.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -794.755511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.755511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.755511 (E_RNA)
where:
Base-Base interactions energy: -547.668
where: short stacking energy: -224.609
Base-Backbone interact. energy: -0.960
local terms energy: -246.127880
where:
bonds (distance) C4'-P energy: -43.376
bonds (distance) P-C4' energy: -57.109
flat angles C4'-P-C4' energy: -52.046
flat angles P-C4'-P energy: -33.289
tors. eta vs tors. theta energy: -60.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -759.016960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.016960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.016960 (E_RNA)
where:
Base-Base interactions energy: -514.317
where: short stacking energy: -214.302
Base-Backbone interact. energy: 0.154
local terms energy: -244.854015
where:
bonds (distance) C4'-P energy: -45.455
bonds (distance) P-C4' energy: -51.388
flat angles C4'-P-C4' energy: -53.806
flat angles P-C4'-P energy: -27.396
tors. eta vs tors. theta energy: -66.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -727.339389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.339389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.339389 (E_RNA)
where:
Base-Base interactions energy: -510.059
where: short stacking energy: -214.222
Base-Backbone interact. energy: 2.822
local terms energy: -220.101898
where:
bonds (distance) C4'-P energy: -40.574
bonds (distance) P-C4' energy: -46.408
flat angles C4'-P-C4' energy: -45.842
flat angles P-C4'-P energy: -31.565
tors. eta vs tors. theta energy: -55.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -540.657637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.657637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.657637 (E_RNA)
where:
Base-Base interactions energy: -349.197
where: short stacking energy: -173.114
Base-Backbone interact. energy: 1.408
local terms energy: -192.869277
where:
bonds (distance) C4'-P energy: -40.877
bonds (distance) P-C4' energy: -49.289
flat angles C4'-P-C4' energy: -48.244
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -37.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -408.925128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.925128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.925128 (E_RNA)
where:
Base-Base interactions energy: -219.497
where: short stacking energy: -121.169
Base-Backbone interact. energy: 0.955
local terms energy: -190.382599
where:
bonds (distance) C4'-P energy: -40.281
bonds (distance) P-C4' energy: -51.386
flat angles C4'-P-C4' energy: -37.070
flat angles P-C4'-P energy: -32.857
tors. eta vs tors. theta energy: -28.789
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: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -930.712285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.712285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.712285 (E_RNA)
where:
Base-Base interactions energy: -636.110
where: short stacking energy: -287.018
Base-Backbone interact. energy: -1.272
local terms energy: -293.330462
where:
bonds (distance) C4'-P energy: -57.254
bonds (distance) P-C4' energy: -53.385
flat angles C4'-P-C4' energy: -58.438
flat angles P-C4'-P energy: -41.229
tors. eta vs tors. theta energy: -83.024
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: 9
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -964.577256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.577256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.577256 (E_RNA)
where:
Base-Base interactions energy: -682.179
where: short stacking energy: -288.740
Base-Backbone interact. energy: -0.292
local terms energy: -282.106150
where:
bonds (distance) C4'-P energy: -35.227
bonds (distance) P-C4' energy: -51.464
flat angles C4'-P-C4' energy: -59.466
flat angles P-C4'-P energy: -47.440
tors. eta vs tors. theta energy: -88.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -908.259479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.259479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.259479 (E_RNA)
where:
Base-Base interactions energy: -646.354
where: short stacking energy: -250.210
Base-Backbone interact. energy: -2.684
local terms energy: -259.221310
where:
bonds (distance) C4'-P energy: -47.919
bonds (distance) P-C4' energy: -45.011
flat angles C4'-P-C4' energy: -54.794
flat angles P-C4'-P energy: -33.716
tors. eta vs tors. theta energy: -77.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -866.912719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.912719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.912719 (E_RNA)
where:
Base-Base interactions energy: -601.750
where: short stacking energy: -258.394
Base-Backbone interact. energy: -0.968
local terms energy: -264.194994
where:
bonds (distance) C4'-P energy: -51.110
bonds (distance) P-C4' energy: -50.430
flat angles C4'-P-C4' energy: -58.438
flat angles P-C4'-P energy: -35.148
tors. eta vs tors. theta energy: -69.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -834.306452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.306452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.306452 (E_RNA)
where:
Base-Base interactions energy: -572.338
where: short stacking energy: -231.805
Base-Backbone interact. energy: -1.761
local terms energy: -260.208228
where:
bonds (distance) C4'-P energy: -46.810
bonds (distance) P-C4' energy: -53.516
flat angles C4'-P-C4' energy: -53.067
flat angles P-C4'-P energy: -42.921
tors. eta vs tors. theta energy: -63.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -798.583910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.583910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.583910 (E_RNA)
where:
Base-Base interactions energy: -552.166
where: short stacking energy: -239.733
Base-Backbone interact. energy: -0.693
local terms energy: -245.725094
where:
bonds (distance) C4'-P energy: -41.138
bonds (distance) P-C4' energy: -44.322
flat angles C4'-P-C4' energy: -57.417
flat angles P-C4'-P energy: -35.815
tors. eta vs tors. theta energy: -67.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -751.768226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.768226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.768226 (E_RNA)
where:
Base-Base interactions energy: -503.787
where: short stacking energy: -217.594
Base-Backbone interact. energy: -0.692
local terms energy: -247.288881
where:
bonds (distance) C4'-P energy: -47.504
bonds (distance) P-C4' energy: -57.387
flat angles C4'-P-C4' energy: -50.281
flat angles P-C4'-P energy: -36.451
tors. eta vs tors. theta energy: -55.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -734.687532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.687532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.687532 (E_RNA)
where:
Base-Base interactions energy: -494.140
where: short stacking energy: -203.702
Base-Backbone interact. energy: -0.597
local terms energy: -239.951288
where:
bonds (distance) C4'-P energy: -54.966
bonds (distance) P-C4' energy: -42.138
flat angles C4'-P-C4' energy: -52.023
flat angles P-C4'-P energy: -36.346
tors. eta vs tors. theta energy: -54.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -520.900972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.900972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.900972 (E_RNA)
where:
Base-Base interactions energy: -331.370
where: short stacking energy: -152.793
Base-Backbone interact. energy: -1.300
local terms energy: -188.230930
where:
bonds (distance) C4'-P energy: -41.180
bonds (distance) P-C4' energy: -41.281
flat angles C4'-P-C4' energy: -46.742
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -41.307
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: 243
Temperature: 1.350000
Total energy: -430.336707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.336707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.336707 (E_RNA)
where:
Base-Base interactions energy: -246.969
where: short stacking energy: -121.880
Base-Backbone interact. energy: 0.515
local terms energy: -183.883311
where:
bonds (distance) C4'-P energy: -48.739
bonds (distance) P-C4' energy: -53.425
flat angles C4'-P-C4' energy: -40.539
flat angles P-C4'-P energy: -26.786
tors. eta vs tors. theta energy: -14.394
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: 1, replica: 9
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -969.716938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.716938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.716938 (E_RNA)
where:
Base-Base interactions energy: -672.564
where: short stacking energy: -295.160
Base-Backbone interact. energy: -0.886
local terms energy: -296.266986
where:
bonds (distance) C4'-P energy: -50.807
bonds (distance) P-C4' energy: -53.029
flat angles C4'-P-C4' energy: -62.802
flat angles P-C4'-P energy: -39.941
tors. eta vs tors. theta energy: -89.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -935.867588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.867588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.867588 (E_RNA)
where:
Base-Base interactions energy: -655.007
where: short stacking energy: -279.123
Base-Backbone interact. energy: -1.143
local terms energy: -279.717606
where:
bonds (distance) C4'-P energy: -53.898
bonds (distance) P-C4' energy: -47.946
flat angles C4'-P-C4' energy: -59.872
flat angles P-C4'-P energy: -40.428
tors. eta vs tors. theta energy: -77.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -912.518315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.518315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.518315 (E_RNA)
where:
Base-Base interactions energy: -632.018
where: short stacking energy: -264.263
Base-Backbone interact. energy: -1.203
local terms energy: -279.297704
where:
bonds (distance) C4'-P energy: -46.177
bonds (distance) P-C4' energy: -52.067
flat angles C4'-P-C4' energy: -57.990
flat angles P-C4'-P energy: -44.477
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: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -852.841942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.841942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.841942 (E_RNA)
where:
Base-Base interactions energy: -587.967
where: short stacking energy: -258.075
Base-Backbone interact. energy: -0.980
local terms energy: -263.895000
where:
bonds (distance) C4'-P energy: -40.045
bonds (distance) P-C4' energy: -60.686
flat angles C4'-P-C4' energy: -53.376
flat angles P-C4'-P energy: -39.269
tors. eta vs tors. theta energy: -70.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -843.432075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.432075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.432075 (E_RNA)
where:
Base-Base interactions energy: -581.499
where: short stacking energy: -242.479
Base-Backbone interact. energy: -2.034
local terms energy: -259.899058
where:
bonds (distance) C4'-P energy: -43.407
bonds (distance) P-C4' energy: -52.455
flat angles C4'-P-C4' energy: -50.408
flat angles P-C4'-P energy: -43.061
tors. eta vs tors. theta energy: -70.569
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: 5
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -794.723022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.723022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.723022 (E_RNA)
where:
Base-Base interactions energy: -542.443
where: short stacking energy: -224.426
Base-Backbone interact. energy: 0.073
local terms energy: -252.353330
where:
bonds (distance) C4'-P energy: -47.313
bonds (distance) P-C4' energy: -51.387
flat angles C4'-P-C4' energy: -51.939
flat angles P-C4'-P energy: -41.775
tors. eta vs tors. theta energy: -59.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -748.429308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.429308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.429308 (E_RNA)
where:
Base-Base interactions energy: -517.255
where: short stacking energy: -218.185
Base-Backbone interact. energy: 1.421
local terms energy: -232.594653
where:
bonds (distance) C4'-P energy: -40.710
bonds (distance) P-C4' energy: -50.095
flat angles C4'-P-C4' energy: -58.006
flat angles P-C4'-P energy: -31.125
tors. eta vs tors. theta energy: -52.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -716.554229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.554229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.554229 (E_RNA)
where:
Base-Base interactions energy: -508.405
where: short stacking energy: -211.364
Base-Backbone interact. energy: -0.288
local terms energy: -207.860838
where:
bonds (distance) C4'-P energy: -24.937
bonds (distance) P-C4' energy: -52.339
flat angles C4'-P-C4' energy: -46.891
flat angles P-C4'-P energy: -18.593
tors. eta vs tors. theta energy: -65.101
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: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -534.251093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.251093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.251093 (E_RNA)
where:
Base-Base interactions energy: -325.657
where: short stacking energy: -153.141
Base-Backbone interact. energy: -0.416
local terms energy: -208.178579
where:
bonds (distance) C4'-P energy: -48.933
bonds (distance) P-C4' energy: -44.766
flat angles C4'-P-C4' energy: -41.417
flat angles P-C4'-P energy: -34.043
tors. eta vs tors. theta energy: -39.019
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: 244
Temperature: 1.350000
Total energy: -401.733286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.733286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.733286 (E_RNA)
where:
Base-Base interactions energy: -226.176
where: short stacking energy: -109.246
Base-Backbone interact. energy: 2.146
local terms energy: -177.703463
where:
bonds (distance) C4'-P energy: -37.302
bonds (distance) P-C4' energy: -61.411
flat angles C4'-P-C4' energy: -32.998
flat angles P-C4'-P energy: -26.131
tors. eta vs tors. theta energy: -19.862
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: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -974.220499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.220499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.220499 (E_RNA)
where:
Base-Base interactions energy: -678.156
where: short stacking energy: -290.597
Base-Backbone interact. energy: -0.876
local terms energy: -295.188184
where:
bonds (distance) C4'-P energy: -47.851
bonds (distance) P-C4' energy: -55.338
flat angles C4'-P-C4' energy: -61.523
flat angles P-C4'-P energy: -42.535
tors. eta vs tors. theta energy: -87.941
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: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -915.920557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.920557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.920557 (E_RNA)
where:
Base-Base interactions energy: -636.686
where: short stacking energy: -249.121
Base-Backbone interact. energy: -1.097
local terms energy: -278.137547
where:
bonds (distance) C4'-P energy: -51.398
bonds (distance) P-C4' energy: -55.744
flat angles C4'-P-C4' energy: -56.066
flat angles P-C4'-P energy: -40.480
tors. eta vs tors. theta energy: -74.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -926.091178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.091178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.091178 (E_RNA)
where:
Base-Base interactions energy: -652.559
where: short stacking energy: -272.686
Base-Backbone interact. energy: 1.695
local terms energy: -275.227286
where:
bonds (distance) C4'-P energy: -55.154
bonds (distance) P-C4' energy: -44.855
flat angles C4'-P-C4' energy: -56.942
flat angles P-C4'-P energy: -33.613
tors. eta vs tors. theta energy: -84.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -838.071031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.071031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.071031 (E_RNA)
where:
Base-Base interactions energy: -574.601
where: short stacking energy: -250.254
Base-Backbone interact. energy: -0.234
local terms energy: -263.236329
where:
bonds (distance) C4'-P energy: -50.450
bonds (distance) P-C4' energy: -41.629
flat angles C4'-P-C4' energy: -59.791
flat angles P-C4'-P energy: -42.374
tors. eta vs tors. theta energy: -68.993
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: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -845.684134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.684134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.684134 (E_RNA)
where:
Base-Base interactions energy: -575.362
where: short stacking energy: -248.164
Base-Backbone interact. energy: -0.346
local terms energy: -269.975878
where:
bonds (distance) C4'-P energy: -46.363
bonds (distance) P-C4' energy: -52.114
flat angles C4'-P-C4' energy: -56.376
flat angles P-C4'-P energy: -42.392
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: 6, replica: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -803.741197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.741197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.741197 (E_RNA)
where:
Base-Base interactions energy: -544.707
where: short stacking energy: -237.007
Base-Backbone interact. energy: -0.390
local terms energy: -258.644059
where:
bonds (distance) C4'-P energy: -49.059
bonds (distance) P-C4' energy: -58.156
flat angles C4'-P-C4' energy: -48.216
flat angles P-C4'-P energy: -35.775
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: 7, replica: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -760.044187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.044187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.044187 (E_RNA)
where:
Base-Base interactions energy: -520.095
where: short stacking energy: -236.552
Base-Backbone interact. energy: 2.589
local terms energy: -242.538060
where:
bonds (distance) C4'-P energy: -49.168
bonds (distance) P-C4' energy: -45.697
flat angles C4'-P-C4' energy: -48.752
flat angles P-C4'-P energy: -31.241
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: 8, replica: 3
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -735.712334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.712334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.712334 (E_RNA)
where:
Base-Base interactions energy: -503.778
where: short stacking energy: -220.063
Base-Backbone interact. energy: 0.846
local terms energy: -232.779758
where:
bonds (distance) C4'-P energy: -44.200
bonds (distance) P-C4' energy: -38.764
flat angles C4'-P-C4' energy: -59.749
flat angles P-C4'-P energy: -36.881
tors. eta vs tors. theta energy: -53.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -511.901564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.901564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.901564 (E_RNA)
where:
Base-Base interactions energy: -341.944
where: short stacking energy: -139.557
Base-Backbone interact. energy: -1.716
local terms energy: -168.241646
where:
bonds (distance) C4'-P energy: -37.607
bonds (distance) P-C4' energy: -33.099
flat angles C4'-P-C4' energy: -45.151
flat angles P-C4'-P energy: -22.719
tors. eta vs tors. theta energy: -29.666
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: 245
Temperature: 1.350000
Total energy: -483.652597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.652597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.652597 (E_RNA)
where:
Base-Base interactions energy: -294.140
where: short stacking energy: -126.904
Base-Backbone interact. energy: -1.487
local terms energy: -188.026443
where:
bonds (distance) C4'-P energy: -39.907
bonds (distance) P-C4' energy: -46.601
flat angles C4'-P-C4' energy: -47.572
flat angles P-C4'-P energy: -26.198
tors. eta vs tors. theta energy: -27.748
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: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -953.933486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.933486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.933486 (E_RNA)
where:
Base-Base interactions energy: -656.510
where: short stacking energy: -290.913
Base-Backbone interact. energy: 0.806
local terms energy: -298.229110
where:
bonds (distance) C4'-P energy: -53.263
bonds (distance) P-C4' energy: -54.685
flat angles C4'-P-C4' energy: -61.453
flat angles P-C4'-P energy: -42.710
tors. eta vs tors. theta energy: -86.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -927.834106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.834106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.834106 (E_RNA)
where:
Base-Base interactions energy: -636.676
where: short stacking energy: -275.244
Base-Backbone interact. energy: -1.532
local terms energy: -289.626222
where:
bonds (distance) C4'-P energy: -52.883
bonds (distance) P-C4' energy: -55.433
flat angles C4'-P-C4' energy: -61.625
flat angles P-C4'-P energy: -42.802
tors. eta vs tors. theta energy: -76.883
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: 3, replica: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -932.186864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.186864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.186864 (E_RNA)
where:
Base-Base interactions energy: -658.884
where: short stacking energy: -283.300
Base-Backbone interact. energy: -0.954
local terms energy: -272.349134
where:
bonds (distance) C4'-P energy: -45.975
bonds (distance) P-C4' energy: -47.794
flat angles C4'-P-C4' energy: -55.782
flat angles P-C4'-P energy: -38.158
tors. eta vs tors. theta energy: -84.641
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: 1
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -854.599442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.599442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.599442 (E_RNA)
where:
Base-Base interactions energy: -581.637
where: short stacking energy: -258.539
Base-Backbone interact. energy: 0.925
local terms energy: -273.887298
where:
bonds (distance) C4'-P energy: -48.854
bonds (distance) P-C4' energy: -57.052
flat angles C4'-P-C4' energy: -59.574
flat angles P-C4'-P energy: -29.691
tors. eta vs tors. theta energy: -78.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -826.584173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.584173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.584173 (E_RNA)
where:
Base-Base interactions energy: -561.274
where: short stacking energy: -246.547
Base-Backbone interact. energy: -1.150
local terms energy: -264.160654
where:
bonds (distance) C4'-P energy: -52.525
bonds (distance) P-C4' energy: -43.042
flat angles C4'-P-C4' energy: -59.260
flat angles P-C4'-P energy: -32.610
tors. eta vs tors. theta energy: -76.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -803.790691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.790691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.790691 (E_RNA)
where:
Base-Base interactions energy: -553.325
where: short stacking energy: -238.803
Base-Backbone interact. energy: -0.605
local terms energy: -249.860435
where:
bonds (distance) C4'-P energy: -44.387
bonds (distance) P-C4' energy: -52.836
flat angles C4'-P-C4' energy: -53.696
flat angles P-C4'-P energy: -30.755
tors. eta vs tors. theta energy: -68.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -765.317016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.317016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.317016 (E_RNA)
where:
Base-Base interactions energy: -514.058
where: short stacking energy: -225.916
Base-Backbone interact. energy: -1.269
local terms energy: -249.989542
where:
bonds (distance) C4'-P energy: -44.786
bonds (distance) P-C4' energy: -49.973
flat angles C4'-P-C4' energy: -55.786
flat angles P-C4'-P energy: -40.884
tors. eta vs tors. theta energy: -58.561
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: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -728.987793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.987793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.987793 (E_RNA)
where:
Base-Base interactions energy: -511.268
where: short stacking energy: -215.540
Base-Backbone interact. energy: -0.175
local terms energy: -217.544789
where:
bonds (distance) C4'-P energy: -34.659
bonds (distance) P-C4' energy: -42.053
flat angles C4'-P-C4' energy: -47.623
flat angles P-C4'-P energy: -32.491
tors. eta vs tors. theta energy: -60.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -510.630744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.630744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.630744 (E_RNA)
where:
Base-Base interactions energy: -308.435
where: short stacking energy: -135.878
Base-Backbone interact. energy: -1.113
local terms energy: -201.083097
where:
bonds (distance) C4'-P energy: -50.318
bonds (distance) P-C4' energy: -46.349
flat angles C4'-P-C4' energy: -44.563
flat angles P-C4'-P energy: -35.335
tors. eta vs tors. theta energy: -24.518
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: 10, replica: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -426.433812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.433812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.433812 (E_RNA)
where:
Base-Base interactions energy: -274.463
where: short stacking energy: -126.551
Base-Backbone interact. energy: -0.040
local terms energy: -151.930645
where:
bonds (distance) C4'-P energy: -42.110
bonds (distance) P-C4' energy: -37.894
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -31.531
tors. eta vs tors. theta energy: -23.761
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: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -978.846923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.846923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.846923 (E_RNA)
where:
Base-Base interactions energy: -680.931
where: short stacking energy: -304.446
Base-Backbone interact. energy: -0.777
local terms energy: -297.138631
where:
bonds (distance) C4'-P energy: -49.549
bonds (distance) P-C4' energy: -51.467
flat angles C4'-P-C4' energy: -62.162
flat angles P-C4'-P energy: -44.955
tors. eta vs tors. theta energy: -89.006
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: 2, replica: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -945.540676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.540676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.540676 (E_RNA)
where:
Base-Base interactions energy: -667.172
where: short stacking energy: -275.623
Base-Backbone interact. energy: -1.133
local terms energy: -277.235782
where:
bonds (distance) C4'-P energy: -51.070
bonds (distance) P-C4' energy: -49.305
flat angles C4'-P-C4' energy: -63.914
flat angles P-C4'-P energy: -36.188
tors. eta vs tors. theta energy: -76.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -901.197739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.197739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.197739 (E_RNA)
where:
Base-Base interactions energy: -642.737
where: short stacking energy: -245.829
Base-Backbone interact. energy: -1.616
local terms energy: -256.844792
where:
bonds (distance) C4'-P energy: -48.287
bonds (distance) P-C4' energy: -49.915
flat angles C4'-P-C4' energy: -55.855
flat angles P-C4'-P energy: -38.454
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: 4, replica: 7
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -857.027189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.027189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.027189 (E_RNA)
where:
Base-Base interactions energy: -586.691
where: short stacking energy: -261.256
Base-Backbone interact. energy: -1.054
local terms energy: -269.282119
where:
bonds (distance) C4'-P energy: -48.945
bonds (distance) P-C4' energy: -50.336
flat angles C4'-P-C4' energy: -58.100
flat angles P-C4'-P energy: -40.629
tors. eta vs tors. theta energy: -71.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -828.088628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.088628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.088628 (E_RNA)
where:
Base-Base interactions energy: -572.299
where: short stacking energy: -240.214
Base-Backbone interact. energy: -0.254
local terms energy: -255.535778
where:
bonds (distance) C4'-P energy: -45.048
bonds (distance) P-C4' energy: -48.758
flat angles C4'-P-C4' energy: -48.686
flat angles P-C4'-P energy: -38.052
tors. eta vs tors. theta energy: -74.992
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: 247
Temperature: 1.150000
Total energy: -808.876934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.876934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.876934 (E_RNA)
where:
Base-Base interactions energy: -563.468
where: short stacking energy: -230.558
Base-Backbone interact. energy: -1.606
local terms energy: -243.802314
where:
bonds (distance) C4'-P energy: -35.838
bonds (distance) P-C4' energy: -52.884
flat angles C4'-P-C4' energy: -52.250
flat angles P-C4'-P energy: -39.165
tors. eta vs tors. theta energy: -63.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -753.406649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.406649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.406649 (E_RNA)
where:
Base-Base interactions energy: -512.511
where: short stacking energy: -215.628
Base-Backbone interact. energy: -0.176
local terms energy: -240.719397
where:
bonds (distance) C4'-P energy: -43.660
bonds (distance) P-C4' energy: -51.868
flat angles C4'-P-C4' energy: -52.559
flat angles P-C4'-P energy: -37.439
tors. eta vs tors. theta energy: -55.193
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: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -744.908188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.908188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.908188 (E_RNA)
where:
Base-Base interactions energy: -503.281
where: short stacking energy: -208.078
Base-Backbone interact. energy: -1.967
local terms energy: -239.660368
where:
bonds (distance) C4'-P energy: -51.230
bonds (distance) P-C4' energy: -46.592
flat angles C4'-P-C4' energy: -54.797
flat angles P-C4'-P energy: -33.379
tors. eta vs tors. theta energy: -53.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -485.210129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.210129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.210129 (E_RNA)
where:
Base-Base interactions energy: -298.528
where: short stacking energy: -124.278
Base-Backbone interact. energy: -0.579
local terms energy: -186.102395
where:
bonds (distance) C4'-P energy: -41.120
bonds (distance) P-C4' energy: -52.742
flat angles C4'-P-C4' energy: -50.674
flat angles P-C4'-P energy: -21.518
tors. eta vs tors. theta energy: -20.048
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: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -407.820369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.820369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.820369 (E_RNA)
where:
Base-Base interactions energy: -230.909
where: short stacking energy: -116.829
Base-Backbone interact. energy: 2.463
local terms energy: -179.373937
where:
bonds (distance) C4'-P energy: -46.589
bonds (distance) P-C4' energy: -47.386
flat angles C4'-P-C4' energy: -37.291
flat angles P-C4'-P energy: -25.686
tors. eta vs tors. theta energy: -22.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -974.265570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.265570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.265570 (E_RNA)
where:
Base-Base interactions energy: -672.380
where: short stacking energy: -298.072
Base-Backbone interact. energy: -0.399
local terms energy: -301.485919
where:
bonds (distance) C4'-P energy: -51.303
bonds (distance) P-C4' energy: -50.239
flat angles C4'-P-C4' energy: -61.992
flat angles P-C4'-P energy: -44.750
tors. eta vs tors. theta energy: -93.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -952.835849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.835849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.835849 (E_RNA)
where:
Base-Base interactions energy: -662.666
where: short stacking energy: -290.742
Base-Backbone interact. energy: -0.905
local terms energy: -289.265076
where:
bonds (distance) C4'-P energy: -52.724
bonds (distance) P-C4' energy: -46.425
flat angles C4'-P-C4' energy: -60.709
flat angles P-C4'-P energy: -38.616
tors. eta vs tors. theta energy: -90.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -908.477377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.477377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.477377 (E_RNA)
where:
Base-Base interactions energy: -641.478
where: short stacking energy: -254.376
Base-Backbone interact. energy: -0.014
local terms energy: -266.985522
where:
bonds (distance) C4'-P energy: -51.701
bonds (distance) P-C4' energy: -36.934
flat angles C4'-P-C4' energy: -59.639
flat angles P-C4'-P energy: -41.439
tors. eta vs tors. theta energy: -77.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -855.187303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.187303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.187303 (E_RNA)
where:
Base-Base interactions energy: -598.932
where: short stacking energy: -259.386
Base-Backbone interact. energy: 0.264
local terms energy: -256.519742
where:
bonds (distance) C4'-P energy: -46.519
bonds (distance) P-C4' energy: -44.800
flat angles C4'-P-C4' energy: -52.561
flat angles P-C4'-P energy: -33.950
tors. eta vs tors. theta energy: -78.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -811.284062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.284062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.284062 (E_RNA)
where:
Base-Base interactions energy: -556.155
where: short stacking energy: -245.936
Base-Backbone interact. energy: -0.115
local terms energy: -255.014176
where:
bonds (distance) C4'-P energy: -43.822
bonds (distance) P-C4' energy: -42.329
flat angles C4'-P-C4' energy: -57.656
flat angles P-C4'-P energy: -42.043
tors. eta vs tors. theta energy: -69.164
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: 6, replica: 5
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -814.512635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.512635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.512635 (E_RNA)
where:
Base-Base interactions energy: -564.963
where: short stacking energy: -240.139
Base-Backbone interact. energy: 1.205
local terms energy: -250.754501
where:
bonds (distance) C4'-P energy: -41.936
bonds (distance) P-C4' energy: -43.248
flat angles C4'-P-C4' energy: -57.716
flat angles P-C4'-P energy: -37.663
tors. eta vs tors. theta energy: -70.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -768.227925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.227925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.227925 (E_RNA)
where:
Base-Base interactions energy: -504.355
where: short stacking energy: -214.578
Base-Backbone interact. energy: -1.117
local terms energy: -262.755837
where:
bonds (distance) C4'-P energy: -55.100
bonds (distance) P-C4' energy: -51.651
flat angles C4'-P-C4' energy: -56.122
flat angles P-C4'-P energy: -36.639
tors. eta vs tors. theta energy: -63.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -749.176553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.176553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.176553 (E_RNA)
where:
Base-Base interactions energy: -516.013
where: short stacking energy: -208.708
Base-Backbone interact. energy: -1.288
local terms energy: -231.874748
where:
bonds (distance) C4'-P energy: -49.781
bonds (distance) P-C4' energy: -39.243
flat angles C4'-P-C4' energy: -51.433
flat angles P-C4'-P energy: -37.662
tors. eta vs tors. theta energy: -53.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -489.612792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.612792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.612792 (E_RNA)
where:
Base-Base interactions energy: -297.756
where: short stacking energy: -140.572
Base-Backbone interact. energy: -0.742
local terms energy: -191.114545
where:
bonds (distance) C4'-P energy: -46.176
bonds (distance) P-C4' energy: -48.919
flat angles C4'-P-C4' energy: -40.207
flat angles P-C4'-P energy: -28.984
tors. eta vs tors. theta energy: -26.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -437.082134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.082134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.082134 (E_RNA)
where:
Base-Base interactions energy: -262.568
where: short stacking energy: -133.406
Base-Backbone interact. energy: -0.505
local terms energy: -174.008313
where:
bonds (distance) C4'-P energy: -46.696
bonds (distance) P-C4' energy: -29.522
flat angles C4'-P-C4' energy: -47.237
flat angles P-C4'-P energy: -22.443
tors. eta vs tors. theta energy: -28.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -978.166916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.166916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.166916 (E_RNA)
where:
Base-Base interactions energy: -670.158
where: short stacking energy: -296.651
Base-Backbone interact. energy: 0.123
local terms energy: -308.131634
where:
bonds (distance) C4'-P energy: -49.846
bonds (distance) P-C4' energy: -56.249
flat angles C4'-P-C4' energy: -63.717
flat angles P-C4'-P energy: -44.747
tors. eta vs tors. theta energy: -93.573
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: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -921.276628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.276628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.276628 (E_RNA)
where:
Base-Base interactions energy: -634.150
where: short stacking energy: -261.979
Base-Backbone interact. energy: -1.364
local terms energy: -285.762641
where:
bonds (distance) C4'-P energy: -53.185
bonds (distance) P-C4' energy: -57.444
flat angles C4'-P-C4' energy: -57.924
flat angles P-C4'-P energy: -43.117
tors. eta vs tors. theta energy: -74.093
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: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -917.130763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.130763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.130763 (E_RNA)
where:
Base-Base interactions energy: -625.367
where: short stacking energy: -277.640
Base-Backbone interact. energy: -0.944
local terms energy: -290.820095
where:
bonds (distance) C4'-P energy: -46.661
bonds (distance) P-C4' energy: -53.204
flat angles C4'-P-C4' energy: -60.623
flat angles P-C4'-P energy: -43.115
tors. eta vs tors. theta energy: -87.217
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: 4, replica: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -862.719837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.719837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.719837 (E_RNA)
where:
Base-Base interactions energy: -597.633
where: short stacking energy: -265.065
Base-Backbone interact. energy: 2.232
local terms energy: -267.318728
where:
bonds (distance) C4'-P energy: -45.567
bonds (distance) P-C4' energy: -56.024
flat angles C4'-P-C4' energy: -55.411
flat angles P-C4'-P energy: -35.482
tors. eta vs tors. theta energy: -74.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -830.702266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.702266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.702266 (E_RNA)
where:
Base-Base interactions energy: -575.782
where: short stacking energy: -253.860
Base-Backbone interact. energy: -1.039
local terms energy: -253.881154
where:
bonds (distance) C4'-P energy: -47.897
bonds (distance) P-C4' energy: -42.561
flat angles C4'-P-C4' energy: -58.078
flat angles P-C4'-P energy: -31.090
tors. eta vs tors. theta energy: -74.255
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: 249
Temperature: 1.150000
Total energy: -811.538400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.538400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.538400 (E_RNA)
where:
Base-Base interactions energy: -554.550
where: short stacking energy: -236.453
Base-Backbone interact. energy: -0.634
local terms energy: -256.354251
where:
bonds (distance) C4'-P energy: -48.029
bonds (distance) P-C4' energy: -49.975
flat angles C4'-P-C4' energy: -52.517
flat angles P-C4'-P energy: -28.314
tors. eta vs tors. theta energy: -77.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -764.247329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.247329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.247329 (E_RNA)
where:
Base-Base interactions energy: -517.306
where: short stacking energy: -215.297
Base-Backbone interact. energy: 1.131
local terms energy: -248.072869
where:
bonds (distance) C4'-P energy: -40.969
bonds (distance) P-C4' energy: -49.103
flat angles C4'-P-C4' energy: -54.561
flat angles P-C4'-P energy: -36.254
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: 8, replica: 3
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -736.213921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.213921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.213921 (E_RNA)
where:
Base-Base interactions energy: -507.532
where: short stacking energy: -222.387
Base-Backbone interact. energy: 0.593
local terms energy: -229.275244
where:
bonds (distance) C4'-P energy: -41.415
bonds (distance) P-C4' energy: -50.060
flat angles C4'-P-C4' energy: -46.658
flat angles P-C4'-P energy: -30.972
tors. eta vs tors. theta energy: -60.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -460.636427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.636427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.636427 (E_RNA)
where:
Base-Base interactions energy: -275.213
where: short stacking energy: -126.656
Base-Backbone interact. energy: -1.337
local terms energy: -184.086266
where:
bonds (distance) C4'-P energy: -44.201
bonds (distance) P-C4' energy: -52.919
flat angles C4'-P-C4' energy: -46.220
flat angles P-C4'-P energy: -26.479
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -435.113631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.113631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.113631 (E_RNA)
where:
Base-Base interactions energy: -251.528
where: short stacking energy: -123.404
Base-Backbone interact. energy: -0.624
local terms energy: -182.961651
where:
bonds (distance) C4'-P energy: -46.218
bonds (distance) P-C4' energy: -53.127
flat angles C4'-P-C4' energy: -30.244
flat angles P-C4'-P energy: -31.062
tors. eta vs tors. theta energy: -22.310
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: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -980.546264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.546264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.546264 (E_RNA)
where:
Base-Base interactions energy: -683.944
where: short stacking energy: -296.616
Base-Backbone interact. energy: -0.760
local terms energy: -295.841874
where:
bonds (distance) C4'-P energy: -49.521
bonds (distance) P-C4' energy: -47.600
flat angles C4'-P-C4' energy: -62.980
flat angles P-C4'-P energy: -46.701
tors. eta vs tors. theta energy: -89.040
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: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -935.282965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.282965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.282965 (E_RNA)
where:
Base-Base interactions energy: -654.121
where: short stacking energy: -283.709
Base-Backbone interact. energy: -0.681
local terms energy: -280.480663
where:
bonds (distance) C4'-P energy: -45.431
bonds (distance) P-C4' energy: -54.616
flat angles C4'-P-C4' energy: -68.462
flat angles P-C4'-P energy: -34.426
tors. eta vs tors. theta energy: -77.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -923.483761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.483761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.483761 (E_RNA)
where:
Base-Base interactions energy: -632.094
where: short stacking energy: -284.844
Base-Backbone interact. energy: -0.698
local terms energy: -290.692237
where:
bonds (distance) C4'-P energy: -45.497
bonds (distance) P-C4' energy: -57.819
flat angles C4'-P-C4' energy: -63.108
flat angles P-C4'-P energy: -44.272
tors. eta vs tors. theta energy: -79.996
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: 4, replica: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -858.926746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.926746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.926746 (E_RNA)
where:
Base-Base interactions energy: -603.854
where: short stacking energy: -253.234
Base-Backbone interact. energy: -1.499
local terms energy: -253.574194
where:
bonds (distance) C4'-P energy: -40.528
bonds (distance) P-C4' energy: -47.543
flat angles C4'-P-C4' energy: -53.907
flat angles P-C4'-P energy: -37.386
tors. eta vs tors. theta energy: -74.211
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: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -816.814089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.814089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.814089 (E_RNA)
where:
Base-Base interactions energy: -566.000
where: short stacking energy: -255.484
Base-Backbone interact. energy: -0.387
local terms energy: -250.427294
where:
bonds (distance) C4'-P energy: -44.725
bonds (distance) P-C4' energy: -46.857
flat angles C4'-P-C4' energy: -46.923
flat angles P-C4'-P energy: -35.895
tors. eta vs tors. theta energy: -76.028
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: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -793.820043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.820043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.820043 (E_RNA)
where:
Base-Base interactions energy: -554.647
where: short stacking energy: -225.358
Base-Backbone interact. energy: -1.083
local terms energy: -238.090062
where:
bonds (distance) C4'-P energy: -42.562
bonds (distance) P-C4' energy: -57.191
flat angles C4'-P-C4' energy: -50.348
flat angles P-C4'-P energy: -25.092
tors. eta vs tors. theta energy: -62.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -780.013667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.013667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.013667 (E_RNA)
where:
Base-Base interactions energy: -533.909
where: short stacking energy: -242.784
Base-Backbone interact. energy: 0.058
local terms energy: -246.162596
where:
bonds (distance) C4'-P energy: -42.134
bonds (distance) P-C4' energy: -45.406
flat angles C4'-P-C4' energy: -55.699
flat angles P-C4'-P energy: -32.409
tors. eta vs tors. theta energy: -70.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -716.217164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.217164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.217164 (E_RNA)
where:
Base-Base interactions energy: -485.912
where: short stacking energy: -194.377
Base-Backbone interact. energy: -0.561
local terms energy: -229.744024
where:
bonds (distance) C4'-P energy: -43.095
bonds (distance) P-C4' energy: -39.581
flat angles C4'-P-C4' energy: -53.321
flat angles P-C4'-P energy: -46.012
tors. eta vs tors. theta energy: -47.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -462.237559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.237559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.237559 (E_RNA)
where:
Base-Base interactions energy: -284.148
where: short stacking energy: -133.667
Base-Backbone interact. energy: 0.662
local terms energy: -178.751681
where:
bonds (distance) C4'-P energy: -30.825
bonds (distance) P-C4' energy: -47.169
flat angles C4'-P-C4' energy: -48.137
flat angles P-C4'-P energy: -31.559
tors. eta vs tors. theta energy: -21.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -473.755352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.755352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.755352 (E_RNA)
where:
Base-Base interactions energy: -300.971
where: short stacking energy: -148.480
Base-Backbone interact. energy: -1.262
local terms energy: -171.522036
where:
bonds (distance) C4'-P energy: -35.576
bonds (distance) P-C4' energy: -36.134
flat angles C4'-P-C4' energy: -50.751
flat angles P-C4'-P energy: -22.547
tors. eta vs tors. theta energy: -26.515
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: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -976.896842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.896842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.896842 (E_RNA)
where:
Base-Base interactions energy: -670.952
where: short stacking energy: -299.433
Base-Backbone interact. energy: 0.318
local terms energy: -306.262721
where:
bonds (distance) C4'-P energy: -51.982
bonds (distance) P-C4' energy: -57.145
flat angles C4'-P-C4' energy: -63.526
flat angles P-C4'-P energy: -42.578
tors. eta vs tors. theta energy: -91.033
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: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -927.446351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.446351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.446351 (E_RNA)
where:
Base-Base interactions energy: -645.252
where: short stacking energy: -270.528
Base-Backbone interact. energy: -1.715
local terms energy: -280.478501
where:
bonds (distance) C4'-P energy: -51.813
bonds (distance) P-C4' energy: -58.683
flat angles C4'-P-C4' energy: -55.485
flat angles P-C4'-P energy: -39.407
tors. eta vs tors. theta energy: -75.090
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: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -894.828102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.828102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.828102 (E_RNA)
where:
Base-Base interactions energy: -617.851
where: short stacking energy: -256.268
Base-Backbone interact. energy: 0.957
local terms energy: -277.934201
where:
bonds (distance) C4'-P energy: -49.227
bonds (distance) P-C4' energy: -54.134
flat angles C4'-P-C4' energy: -58.797
flat angles P-C4'-P energy: -40.367
tors. eta vs tors. theta energy: -75.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -860.934179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.934179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.934179 (E_RNA)
where:
Base-Base interactions energy: -585.874
where: short stacking energy: -241.697
Base-Backbone interact. energy: -0.793
local terms energy: -274.266436
where:
bonds (distance) C4'-P energy: -53.787
bonds (distance) P-C4' energy: -49.816
flat angles C4'-P-C4' energy: -59.318
flat angles P-C4'-P energy: -44.453
tors. eta vs tors. theta energy: -66.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -813.791970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.791970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.791970 (E_RNA)
where:
Base-Base interactions energy: -559.742
where: short stacking energy: -245.623
Base-Backbone interact. energy: 0.372
local terms energy: -254.422226
where:
bonds (distance) C4'-P energy: -45.101
bonds (distance) P-C4' energy: -53.859
flat angles C4'-P-C4' energy: -44.477
flat angles P-C4'-P energy: -35.423
tors. eta vs tors. theta energy: -75.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -801.637840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.637840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.637840 (E_RNA)
where:
Base-Base interactions energy: -560.989
where: short stacking energy: -246.797
Base-Backbone interact. energy: -0.683
local terms energy: -239.965842
where:
bonds (distance) C4'-P energy: -45.758
bonds (distance) P-C4' energy: -52.665
flat angles C4'-P-C4' energy: -41.158
flat angles P-C4'-P energy: -30.904
tors. eta vs tors. theta energy: -69.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -773.525680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.525680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.525680 (E_RNA)
where:
Base-Base interactions energy: -541.490
where: short stacking energy: -242.264
Base-Backbone interact. energy: -0.778
local terms energy: -231.257734
where:
bonds (distance) C4'-P energy: -43.770
bonds (distance) P-C4' energy: -42.869
flat angles C4'-P-C4' energy: -56.355
flat angles P-C4'-P energy: -22.310
tors. eta vs tors. theta energy: -65.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -710.421898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.421898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.421898 (E_RNA)
where:
Base-Base interactions energy: -494.581
where: short stacking energy: -203.931
Base-Backbone interact. energy: 0.731
local terms energy: -216.571405
where:
bonds (distance) C4'-P energy: -40.616
bonds (distance) P-C4' energy: -37.994
flat angles C4'-P-C4' energy: -49.745
flat angles P-C4'-P energy: -33.493
tors. eta vs tors. theta energy: -54.724
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: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -492.920310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.920310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.920310 (E_RNA)
where:
Base-Base interactions energy: -317.480
where: short stacking energy: -147.235
Base-Backbone interact. energy: -0.516
local terms energy: -174.924400
where:
bonds (distance) C4'-P energy: -38.637
bonds (distance) P-C4' energy: -42.034
flat angles C4'-P-C4' energy: -38.159
flat angles P-C4'-P energy: -22.318
tors. eta vs tors. theta energy: -33.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -432.764405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.764405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.764405 (E_RNA)
where:
Base-Base interactions energy: -257.813
where: short stacking energy: -122.112
Base-Backbone interact. energy: -0.726
local terms energy: -174.225419
where:
bonds (distance) C4'-P energy: -39.595
bonds (distance) P-C4' energy: -51.467
flat angles C4'-P-C4' energy: -44.261
flat angles P-C4'-P energy: -27.319
tors. eta vs tors. theta energy: -11.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -971.762646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.762646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.762646 (E_RNA)
where:
Base-Base interactions energy: -671.774
where: short stacking energy: -293.477
Base-Backbone interact. energy: -0.281
local terms energy: -299.708319
where:
bonds (distance) C4'-P energy: -58.429
bonds (distance) P-C4' energy: -57.098
flat angles C4'-P-C4' energy: -60.778
flat angles P-C4'-P energy: -37.889
tors. eta vs tors. theta energy: -85.514
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: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -930.345229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.345229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.345229 (E_RNA)
where:
Base-Base interactions energy: -665.020
where: short stacking energy: -259.121
Base-Backbone interact. energy: -1.741
local terms energy: -263.584326
where:
bonds (distance) C4'-P energy: -51.168
bonds (distance) P-C4' energy: -55.866
flat angles C4'-P-C4' energy: -52.157
flat angles P-C4'-P energy: -34.531
tors. eta vs tors. theta energy: -69.862
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: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -885.820502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.820502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.820502 (E_RNA)
where:
Base-Base interactions energy: -625.304
where: short stacking energy: -261.406
Base-Backbone interact. energy: -0.504
local terms energy: -260.012896
where:
bonds (distance) C4'-P energy: -59.102
bonds (distance) P-C4' energy: -38.290
flat angles C4'-P-C4' energy: -48.960
flat angles P-C4'-P energy: -35.762
tors. eta vs tors. theta energy: -77.899
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: 4, replica: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -855.206212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.206212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.206212 (E_RNA)
where:
Base-Base interactions energy: -590.757
where: short stacking energy: -258.264
Base-Backbone interact. energy: -0.824
local terms energy: -263.625079
where:
bonds (distance) C4'-P energy: -51.761
bonds (distance) P-C4' energy: -47.917
flat angles C4'-P-C4' energy: -55.655
flat angles P-C4'-P energy: -38.012
tors. eta vs tors. theta energy: -70.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -827.474781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.474781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.474781 (E_RNA)
where:
Base-Base interactions energy: -590.846
where: short stacking energy: -248.969
Base-Backbone interact. energy: 0.576
local terms energy: -237.204846
where:
bonds (distance) C4'-P energy: -46.120
bonds (distance) P-C4' energy: -38.298
flat angles C4'-P-C4' energy: -54.608
flat angles P-C4'-P energy: -27.745
tors. eta vs tors. theta energy: -70.434
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: 6, replica: 5
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -785.980985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.980985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.980985 (E_RNA)
where:
Base-Base interactions energy: -539.651
where: short stacking energy: -232.229
Base-Backbone interact. energy: -0.609
local terms energy: -245.720765
where:
bonds (distance) C4'-P energy: -40.924
bonds (distance) P-C4' energy: -49.133
flat angles C4'-P-C4' energy: -52.481
flat angles P-C4'-P energy: -34.038
tors. eta vs tors. theta energy: -69.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -761.110370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.110370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.110370 (E_RNA)
where:
Base-Base interactions energy: -538.210
where: short stacking energy: -218.758
Base-Backbone interact. energy: 0.636
local terms energy: -223.537002
where:
bonds (distance) C4'-P energy: -46.963
bonds (distance) P-C4' energy: -44.815
flat angles C4'-P-C4' energy: -45.035
flat angles P-C4'-P energy: -24.638
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: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -694.722107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.722107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.722107 (E_RNA)
where:
Base-Base interactions energy: -492.330
where: short stacking energy: -195.839
Base-Backbone interact. energy: -0.784
local terms energy: -201.607965
where:
bonds (distance) C4'-P energy: -34.680
bonds (distance) P-C4' energy: -43.618
flat angles C4'-P-C4' energy: -38.712
flat angles P-C4'-P energy: -36.655
tors. eta vs tors. theta energy: -47.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -457.994431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.994431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.994431 (E_RNA)
where:
Base-Base interactions energy: -284.701
where: short stacking energy: -136.860
Base-Backbone interact. energy: -0.854
local terms energy: -172.439208
where:
bonds (distance) C4'-P energy: -45.725
bonds (distance) P-C4' energy: -47.334
flat angles C4'-P-C4' energy: -41.398
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -24.578
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: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -469.251223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.251223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.251223 (E_RNA)
where:
Base-Base interactions energy: -286.234
where: short stacking energy: -129.923
Base-Backbone interact. energy: -0.453
local terms energy: -182.563489
where:
bonds (distance) C4'-P energy: -36.879
bonds (distance) P-C4' energy: -43.177
flat angles C4'-P-C4' energy: -46.700
flat angles P-C4'-P energy: -31.393
tors. eta vs tors. theta energy: -24.414
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: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -975.016699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.016699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.016699 (E_RNA)
where:
Base-Base interactions energy: -680.781
where: short stacking energy: -290.073
Base-Backbone interact. energy: -1.699
local terms energy: -292.536104
where:
bonds (distance) C4'-P energy: -46.502
bonds (distance) P-C4' energy: -56.084
flat angles C4'-P-C4' energy: -62.214
flat angles P-C4'-P energy: -42.749
tors. eta vs tors. theta energy: -84.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -914.726972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.726972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.726972 (E_RNA)
where:
Base-Base interactions energy: -637.678
where: short stacking energy: -260.651
Base-Backbone interact. energy: -0.064
local terms energy: -276.985482
where:
bonds (distance) C4'-P energy: -53.859
bonds (distance) P-C4' energy: -51.193
flat angles C4'-P-C4' energy: -57.512
flat angles P-C4'-P energy: -44.789
tors. eta vs tors. theta energy: -69.633
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: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -883.997745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.997745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.997745 (E_RNA)
where:
Base-Base interactions energy: -611.400
where: short stacking energy: -244.549
Base-Backbone interact. energy: -0.208
local terms energy: -272.390165
where:
bonds (distance) C4'-P energy: -41.903
bonds (distance) P-C4' energy: -51.490
flat angles C4'-P-C4' energy: -58.945
flat angles P-C4'-P energy: -44.754
tors. eta vs tors. theta energy: -75.299
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: 1
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -848.730499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.730499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.730499 (E_RNA)
where:
Base-Base interactions energy: -591.257
where: short stacking energy: -254.096
Base-Backbone interact. energy: 2.274
local terms energy: -259.747680
where:
bonds (distance) C4'-P energy: -48.911
bonds (distance) P-C4' energy: -55.658
flat angles C4'-P-C4' energy: -47.661
flat angles P-C4'-P energy: -35.160
tors. eta vs tors. theta energy: -72.357
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: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -837.793533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.793533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.793533 (E_RNA)
where:
Base-Base interactions energy: -568.545
where: short stacking energy: -240.688
Base-Backbone interact. energy: -0.575
local terms energy: -268.674332
where:
bonds (distance) C4'-P energy: -51.367
bonds (distance) P-C4' energy: -51.053
flat angles C4'-P-C4' energy: -53.658
flat angles P-C4'-P energy: -40.414
tors. eta vs tors. theta energy: -72.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -804.382937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.382937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.382937 (E_RNA)
where:
Base-Base interactions energy: -563.011
where: short stacking energy: -240.149
Base-Backbone interact. energy: -0.130
local terms energy: -241.242069
where:
bonds (distance) C4'-P energy: -32.316
bonds (distance) P-C4' energy: -44.232
flat angles C4'-P-C4' energy: -57.711
flat angles P-C4'-P energy: -37.872
tors. eta vs tors. theta energy: -69.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -744.747346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.747346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.747346 (E_RNA)
where:
Base-Base interactions energy: -517.390
where: short stacking energy: -219.999
Base-Backbone interact. energy: -2.448
local terms energy: -224.909223
where:
bonds (distance) C4'-P energy: -46.067
bonds (distance) P-C4' energy: -46.170
flat angles C4'-P-C4' energy: -47.074
flat angles P-C4'-P energy: -27.480
tors. eta vs tors. theta energy: -58.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -723.175135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.175135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.175135 (E_RNA)
where:
Base-Base interactions energy: -498.147
where: short stacking energy: -211.871
Base-Backbone interact. energy: -0.443
local terms energy: -224.585703
where:
bonds (distance) C4'-P energy: -45.745
bonds (distance) P-C4' energy: -52.431
flat angles C4'-P-C4' energy: -47.351
flat angles P-C4'-P energy: -25.364
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: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -485.287851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.287851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.287851 (E_RNA)
where:
Base-Base interactions energy: -301.463
where: short stacking energy: -146.773
Base-Backbone interact. energy: -0.983
local terms energy: -182.841701
where:
bonds (distance) C4'-P energy: -44.344
bonds (distance) P-C4' energy: -50.917
flat angles C4'-P-C4' energy: -36.949
flat angles P-C4'-P energy: -23.226
tors. eta vs tors. theta energy: -27.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -442.389130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.389130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.389130 (E_RNA)
where:
Base-Base interactions energy: -298.251
where: short stacking energy: -134.831
Base-Backbone interact. energy: -0.600
local terms energy: -143.538074
where:
bonds (distance) C4'-P energy: -29.358
bonds (distance) P-C4' energy: -41.588
flat angles C4'-P-C4' energy: -29.843
flat angles P-C4'-P energy: -17.838
tors. eta vs tors. theta energy: -24.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -970.865050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.865050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.865050 (E_RNA)
where:
Base-Base interactions energy: -665.718
where: short stacking energy: -301.339
Base-Backbone interact. energy: -0.952
local terms energy: -304.195182
where:
bonds (distance) C4'-P energy: -53.901
bonds (distance) P-C4' energy: -50.785
flat angles C4'-P-C4' energy: -57.528
flat angles P-C4'-P energy: -50.409
tors. eta vs tors. theta energy: -91.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -912.221957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.221957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.221957 (E_RNA)
where:
Base-Base interactions energy: -625.695
where: short stacking energy: -246.140
Base-Backbone interact. energy: 0.115
local terms energy: -286.641626
where:
bonds (distance) C4'-P energy: -53.840
bonds (distance) P-C4' energy: -56.611
flat angles C4'-P-C4' energy: -61.020
flat angles P-C4'-P energy: -44.293
tors. eta vs tors. theta energy: -70.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -922.040124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.040124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.040124 (E_RNA)
where:
Base-Base interactions energy: -654.530
where: short stacking energy: -265.921
Base-Backbone interact. energy: 1.999
local terms energy: -269.509358
where:
bonds (distance) C4'-P energy: -46.004
bonds (distance) P-C4' energy: -56.783
flat angles C4'-P-C4' energy: -54.744
flat angles P-C4'-P energy: -35.940
tors. eta vs tors. theta energy: -76.038
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: 1
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -867.200962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.200962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.200962 (E_RNA)
where:
Base-Base interactions energy: -600.800
where: short stacking energy: -258.174
Base-Backbone interact. energy: 2.076
local terms energy: -268.476405
where:
bonds (distance) C4'-P energy: -49.341
bonds (distance) P-C4' energy: -46.547
flat angles C4'-P-C4' energy: -59.528
flat angles P-C4'-P energy: -41.423
tors. eta vs tors. theta energy: -71.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -827.396315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.396315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.396315 (E_RNA)
where:
Base-Base interactions energy: -572.695
where: short stacking energy: -250.880
Base-Backbone interact. energy: -0.425
local terms energy: -254.276393
where:
bonds (distance) C4'-P energy: -46.118
bonds (distance) P-C4' energy: -47.719
flat angles C4'-P-C4' energy: -52.917
flat angles P-C4'-P energy: -34.365
tors. eta vs tors. theta energy: -73.157
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: 254
Temperature: 1.150000
Total energy: -779.436225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.436225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.436225 (E_RNA)
where:
Base-Base interactions energy: -539.726
where: short stacking energy: -226.588
Base-Backbone interact. energy: -1.449
local terms energy: -238.260977
where:
bonds (distance) C4'-P energy: -47.354
bonds (distance) P-C4' energy: -47.667
flat angles C4'-P-C4' energy: -55.627
flat angles P-C4'-P energy: -30.338
tors. eta vs tors. theta energy: -57.274
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: 7, replica: 3
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -752.717290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.717290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.717290 (E_RNA)
where:
Base-Base interactions energy: -516.823
where: short stacking energy: -226.866
Base-Backbone interact. energy: -0.119
local terms energy: -235.775542
where:
bonds (distance) C4'-P energy: -46.627
bonds (distance) P-C4' energy: -48.132
flat angles C4'-P-C4' energy: -48.346
flat angles P-C4'-P energy: -28.027
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: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -725.625415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.625415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.625415 (E_RNA)
where:
Base-Base interactions energy: -495.525
where: short stacking energy: -215.514
Base-Backbone interact. energy: 3.097
local terms energy: -233.197446
where:
bonds (distance) C4'-P energy: -39.335
bonds (distance) P-C4' energy: -46.470
flat angles C4'-P-C4' energy: -49.783
flat angles P-C4'-P energy: -38.084
tors. eta vs tors. theta energy: -59.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -421.278003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.278003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.278003 (E_RNA)
where:
Base-Base interactions energy: -232.315
where: short stacking energy: -116.462
Base-Backbone interact. energy: -1.479
local terms energy: -187.484075
where:
bonds (distance) C4'-P energy: -41.335
bonds (distance) P-C4' energy: -47.931
flat angles C4'-P-C4' energy: -37.292
flat angles P-C4'-P energy: -37.717
tors. eta vs tors. theta energy: -23.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -533.646411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.646411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.646411 (E_RNA)
where:
Base-Base interactions energy: -355.012
where: short stacking energy: -145.432
Base-Backbone interact. energy: -0.612
local terms energy: -178.022745
where:
bonds (distance) C4'-P energy: -28.506
bonds (distance) P-C4' energy: -52.105
flat angles C4'-P-C4' energy: -34.879
flat angles P-C4'-P energy: -32.234
tors. eta vs tors. theta energy: -30.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -964.665182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.665182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.665182 (E_RNA)
where:
Base-Base interactions energy: -675.876
where: short stacking energy: -293.604
Base-Backbone interact. energy: -0.685
local terms energy: -288.104768
where:
bonds (distance) C4'-P energy: -50.999
bonds (distance) P-C4' energy: -46.855
flat angles C4'-P-C4' energy: -61.461
flat angles P-C4'-P energy: -42.606
tors. eta vs tors. theta energy: -86.183
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: 2, replica: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -919.377747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.377747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.377747 (E_RNA)
where:
Base-Base interactions energy: -628.030
where: short stacking energy: -270.933
Base-Backbone interact. energy: -1.105
local terms energy: -290.243131
where:
bonds (distance) C4'-P energy: -52.125
bonds (distance) P-C4' energy: -60.029
flat angles C4'-P-C4' energy: -59.561
flat angles P-C4'-P energy: -35.857
tors. eta vs tors. theta energy: -82.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -911.101037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.101037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.101037 (E_RNA)
where:
Base-Base interactions energy: -634.795
where: short stacking energy: -262.349
Base-Backbone interact. energy: -0.943
local terms energy: -275.362494
where:
bonds (distance) C4'-P energy: -50.197
bonds (distance) P-C4' energy: -52.837
flat angles C4'-P-C4' energy: -57.678
flat angles P-C4'-P energy: -39.163
tors. eta vs tors. theta energy: -75.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -850.626532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.626532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.626532 (E_RNA)
where:
Base-Base interactions energy: -593.687
where: short stacking energy: -248.183
Base-Backbone interact. energy: -0.525
local terms energy: -256.414626
where:
bonds (distance) C4'-P energy: -44.549
bonds (distance) P-C4' energy: -49.791
flat angles C4'-P-C4' energy: -56.393
flat angles P-C4'-P energy: -34.762
tors. eta vs tors. theta energy: -70.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -810.090971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.090971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.090971 (E_RNA)
where:
Base-Base interactions energy: -573.343
where: short stacking energy: -237.785
Base-Backbone interact. energy: -1.300
local terms energy: -235.447612
where:
bonds (distance) C4'-P energy: -48.222
bonds (distance) P-C4' energy: -37.217
flat angles C4'-P-C4' energy: -57.105
flat angles P-C4'-P energy: -33.424
tors. eta vs tors. theta energy: -59.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -757.200175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.200175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.200175 (E_RNA)
where:
Base-Base interactions energy: -511.829
where: short stacking energy: -218.194
Base-Backbone interact. energy: 0.256
local terms energy: -245.627286
where:
bonds (distance) C4'-P energy: -50.088
bonds (distance) P-C4' energy: -50.645
flat angles C4'-P-C4' energy: -51.272
flat angles P-C4'-P energy: -34.215
tors. eta vs tors. theta energy: -59.407
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: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -720.980014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.980014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.980014 (E_RNA)
where:
Base-Base interactions energy: -500.991
where: short stacking energy: -201.533
Base-Backbone interact. energy: -0.843
local terms energy: -219.145847
where:
bonds (distance) C4'-P energy: -46.601
bonds (distance) P-C4' energy: -45.215
flat angles C4'-P-C4' energy: -46.283
flat angles P-C4'-P energy: -27.553
tors. eta vs tors. theta energy: -53.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -767.696611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.696611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.696611 (E_RNA)
where:
Base-Base interactions energy: -520.254
where: short stacking energy: -223.656
Base-Backbone interact. energy: 0.694
local terms energy: -248.136212
where:
bonds (distance) C4'-P energy: -37.534
bonds (distance) P-C4' energy: -53.022
flat angles C4'-P-C4' energy: -55.526
flat angles P-C4'-P energy: -35.940
tors. eta vs tors. theta energy: -66.114
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: 8
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -439.570487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.570487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.570487 (E_RNA)
where:
Base-Base interactions energy: -257.903
where: short stacking energy: -119.930
Base-Backbone interact. energy: -0.809
local terms energy: -180.858393
where:
bonds (distance) C4'-P energy: -48.158
bonds (distance) P-C4' energy: -45.817
flat angles C4'-P-C4' energy: -37.015
flat angles P-C4'-P energy: -24.737
tors. eta vs tors. theta energy: -25.132
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: 255
Temperature: 1.350000
Total energy: -533.572498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.572498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.572498 (E_RNA)
where:
Base-Base interactions energy: -342.884
where: short stacking energy: -141.232
Base-Backbone interact. energy: -0.031
local terms energy: -190.657133
where:
bonds (distance) C4'-P energy: -48.660
bonds (distance) P-C4' energy: -47.865
flat angles C4'-P-C4' energy: -42.280
flat angles P-C4'-P energy: -33.044
tors. eta vs tors. theta energy: -18.808
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: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -950.432344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.432344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.432344 (E_RNA)
where:
Base-Base interactions energy: -661.665
where: short stacking energy: -284.525
Base-Backbone interact. energy: -0.924
local terms energy: -287.843197
where:
bonds (distance) C4'-P energy: -49.165
bonds (distance) P-C4' energy: -51.464
flat angles C4'-P-C4' energy: -62.389
flat angles P-C4'-P energy: -41.028
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: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -938.783125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.783125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.783125 (E_RNA)
where:
Base-Base interactions energy: -654.054
where: short stacking energy: -274.536
Base-Backbone interact. energy: -1.379
local terms energy: -283.350413
where:
bonds (distance) C4'-P energy: -46.417
bonds (distance) P-C4' energy: -54.625
flat angles C4'-P-C4' energy: -64.023
flat angles P-C4'-P energy: -39.842
tors. eta vs tors. theta energy: -78.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -912.583982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.583982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.583982 (E_RNA)
where:
Base-Base interactions energy: -642.181
where: short stacking energy: -263.826
Base-Backbone interact. energy: -0.226
local terms energy: -270.177236
where:
bonds (distance) C4'-P energy: -47.131
bonds (distance) P-C4' energy: -47.176
flat angles C4'-P-C4' energy: -61.264
flat angles P-C4'-P energy: -40.847
tors. eta vs tors. theta energy: -73.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -851.171748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.171748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.171748 (E_RNA)
where:
Base-Base interactions energy: -587.777
where: short stacking energy: -246.572
Base-Backbone interact. energy: -1.079
local terms energy: -262.315174
where:
bonds (distance) C4'-P energy: -52.702
bonds (distance) P-C4' energy: -46.602
flat angles C4'-P-C4' energy: -63.283
flat angles P-C4'-P energy: -34.475
tors. eta vs tors. theta energy: -65.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -796.620681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.620681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.620681 (E_RNA)
where:
Base-Base interactions energy: -549.774
where: short stacking energy: -223.906
Base-Backbone interact. energy: -0.499
local terms energy: -246.348098
where:
bonds (distance) C4'-P energy: -43.776
bonds (distance) P-C4' energy: -50.408
flat angles C4'-P-C4' energy: -48.810
flat angles P-C4'-P energy: -40.134
tors. eta vs tors. theta energy: -63.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -794.803722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.803722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.803722 (E_RNA)
where:
Base-Base interactions energy: -547.883
where: short stacking energy: -242.988
Base-Backbone interact. energy: -0.763
local terms energy: -246.157389
where:
bonds (distance) C4'-P energy: -46.318
bonds (distance) P-C4' energy: -45.088
flat angles C4'-P-C4' energy: -52.712
flat angles P-C4'-P energy: -36.058
tors. eta vs tors. theta energy: -65.981
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: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -776.292122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.292122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.292122 (E_RNA)
where:
Base-Base interactions energy: -536.213
where: short stacking energy: -233.317
Base-Backbone interact. energy: -0.975
local terms energy: -239.104374
where:
bonds (distance) C4'-P energy: -42.266
bonds (distance) P-C4' energy: -47.241
flat angles C4'-P-C4' energy: -51.823
flat angles P-C4'-P energy: -30.239
tors. eta vs tors. theta energy: -67.535
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: 256
Temperature: 1.250000
Total energy: -699.134917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.134917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.134917 (E_RNA)
where:
Base-Base interactions energy: -478.174
where: short stacking energy: -210.295
Base-Backbone interact. energy: -0.647
local terms energy: -220.313654
where:
bonds (distance) C4'-P energy: -46.384
bonds (distance) P-C4' energy: -46.185
flat angles C4'-P-C4' energy: -44.434
flat angles P-C4'-P energy: -27.334
tors. eta vs tors. theta energy: -55.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -562.277133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.277133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.277133 (E_RNA)
where:
Base-Base interactions energy: -366.940
where: short stacking energy: -167.425
Base-Backbone interact. energy: -0.519
local terms energy: -194.818421
where:
bonds (distance) C4'-P energy: -41.602
bonds (distance) P-C4' energy: -42.059
flat angles C4'-P-C4' energy: -40.745
flat angles P-C4'-P energy: -31.481
tors. eta vs tors. theta energy: -38.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -425.202792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.202792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.202792 (E_RNA)
where:
Base-Base interactions energy: -252.218
where: short stacking energy: -131.628
Base-Backbone interact. energy: 0.230
local terms energy: -173.214046
where:
bonds (distance) C4'-P energy: -34.819
bonds (distance) P-C4' energy: -41.513
flat angles C4'-P-C4' energy: -47.807
flat angles P-C4'-P energy: -24.348
tors. eta vs tors. theta energy: -24.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -975.207317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.207317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.207317 (E_RNA)
where:
Base-Base interactions energy: -670.790
where: short stacking energy: -292.730
Base-Backbone interact. energy: -1.025
local terms energy: -303.393011
where:
bonds (distance) C4'-P energy: -55.343
bonds (distance) P-C4' energy: -57.191
flat angles C4'-P-C4' energy: -58.080
flat angles P-C4'-P energy: -44.971
tors. eta vs tors. theta energy: -87.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -957.833844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.833844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.833844 (E_RNA)
where:
Base-Base interactions energy: -660.583
where: short stacking energy: -284.089
Base-Backbone interact. energy: -1.503
local terms energy: -295.747575
where:
bonds (distance) C4'-P energy: -59.446
bonds (distance) P-C4' energy: -50.465
flat angles C4'-P-C4' energy: -59.523
flat angles P-C4'-P energy: -42.905
tors. eta vs tors. theta energy: -83.409
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: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -894.244187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.244187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.244187 (E_RNA)
where:
Base-Base interactions energy: -637.869
where: short stacking energy: -257.648
Base-Backbone interact. energy: 1.700
local terms energy: -258.075849
where:
bonds (distance) C4'-P energy: -47.562
bonds (distance) P-C4' energy: -46.374
flat angles C4'-P-C4' energy: -54.041
flat angles P-C4'-P energy: -41.483
tors. eta vs tors. theta energy: -68.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -885.594742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.594742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.594742 (E_RNA)
where:
Base-Base interactions energy: -611.343
where: short stacking energy: -262.775
Base-Backbone interact. energy: -1.601
local terms energy: -272.650725
where:
bonds (distance) C4'-P energy: -49.992
bonds (distance) P-C4' energy: -53.586
flat angles C4'-P-C4' energy: -57.660
flat angles P-C4'-P energy: -33.151
tors. eta vs tors. theta energy: -78.261
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: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -811.205355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.205355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.205355 (E_RNA)
where:
Base-Base interactions energy: -554.564
where: short stacking energy: -237.931
Base-Backbone interact. energy: -0.296
local terms energy: -256.345065
where:
bonds (distance) C4'-P energy: -55.767
bonds (distance) P-C4' energy: -43.598
flat angles C4'-P-C4' energy: -45.287
flat angles P-C4'-P energy: -43.840
tors. eta vs tors. theta energy: -67.854
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: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -794.885091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.885091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.885091 (E_RNA)
where:
Base-Base interactions energy: -550.636
where: short stacking energy: -233.572
Base-Backbone interact. energy: -2.383
local terms energy: -241.866408
where:
bonds (distance) C4'-P energy: -49.935
bonds (distance) P-C4' energy: -38.774
flat angles C4'-P-C4' energy: -56.557
flat angles P-C4'-P energy: -34.512
tors. eta vs tors. theta energy: -62.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -760.423383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.423383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.423383 (E_RNA)
where:
Base-Base interactions energy: -512.007
where: short stacking energy: -221.284
Base-Backbone interact. energy: -0.460
local terms energy: -247.956097
where:
bonds (distance) C4'-P energy: -47.395
bonds (distance) P-C4' energy: -46.084
flat angles C4'-P-C4' energy: -51.715
flat angles P-C4'-P energy: -33.239
tors. eta vs tors. theta energy: -69.523
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: 257
Temperature: 1.250000
Total energy: -686.473157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.473157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.473157 (E_RNA)
where:
Base-Base interactions energy: -494.499
where: short stacking energy: -205.889
Base-Backbone interact. energy: -1.433
local terms energy: -190.542006
where:
bonds (distance) C4'-P energy: -33.591
bonds (distance) P-C4' energy: -50.923
flat angles C4'-P-C4' energy: -34.063
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -64.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -594.779327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.779327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.779327 (E_RNA)
where:
Base-Base interactions energy: -391.362
where: short stacking energy: -176.880
Base-Backbone interact. energy: -0.976
local terms energy: -202.441139
where:
bonds (distance) C4'-P energy: -45.893
bonds (distance) P-C4' energy: -32.306
flat angles C4'-P-C4' energy: -48.193
flat angles P-C4'-P energy: -27.803
tors. eta vs tors. theta energy: -48.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -461.613820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.613820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.613820 (E_RNA)
where:
Base-Base interactions energy: -271.612
where: short stacking energy: -129.065
Base-Backbone interact. energy: -0.125
local terms energy: -189.877204
where:
bonds (distance) C4'-P energy: -38.293
bonds (distance) P-C4' energy: -47.317
flat angles C4'-P-C4' energy: -43.660
flat angles P-C4'-P energy: -31.402
tors. eta vs tors. theta energy: -29.204
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: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -964.963326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.963326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.963326 (E_RNA)
where:
Base-Base interactions energy: -671.141
where: short stacking energy: -278.710
Base-Backbone interact. energy: 0.448
local terms energy: -294.270285
where:
bonds (distance) C4'-P energy: -48.542
bonds (distance) P-C4' energy: -54.225
flat angles C4'-P-C4' energy: -60.506
flat angles P-C4'-P energy: -44.498
tors. eta vs tors. theta energy: -86.499
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: 258
Temperature: 0.950000
Total energy: -948.982334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.982334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.982334 (E_RNA)
where:
Base-Base interactions energy: -652.095
where: short stacking energy: -274.465
Base-Backbone interact. energy: -1.268
local terms energy: -295.619230
where:
bonds (distance) C4'-P energy: -50.575
bonds (distance) P-C4' energy: -55.835
flat angles C4'-P-C4' energy: -59.727
flat angles P-C4'-P energy: -46.896
tors. eta vs tors. theta energy: -82.585
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: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -891.890417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.890417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.890417 (E_RNA)
where:
Base-Base interactions energy: -628.374
where: short stacking energy: -270.522
Base-Backbone interact. energy: -1.060
local terms energy: -262.456616
where:
bonds (distance) C4'-P energy: -54.384
bonds (distance) P-C4' energy: -41.908
flat angles C4'-P-C4' energy: -56.127
flat angles P-C4'-P energy: -34.251
tors. eta vs tors. theta energy: -75.786
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: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -884.849991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.849991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.849991 (E_RNA)
where:
Base-Base interactions energy: -626.581
where: short stacking energy: -252.944
Base-Backbone interact. energy: -1.587
local terms energy: -256.682022
where:
bonds (distance) C4'-P energy: -37.541
bonds (distance) P-C4' energy: -52.968
flat angles C4'-P-C4' energy: -51.941
flat angles P-C4'-P energy: -43.787
tors. eta vs tors. theta energy: -70.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -824.232176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.232176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.232176 (E_RNA)
where:
Base-Base interactions energy: -584.885
where: short stacking energy: -252.397
Base-Backbone interact. energy: -1.691
local terms energy: -237.656057
where:
bonds (distance) C4'-P energy: -43.446
bonds (distance) P-C4' energy: -34.517
flat angles C4'-P-C4' energy: -54.792
flat angles P-C4'-P energy: -36.715
tors. eta vs tors. theta energy: -68.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -785.215122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.215122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.215122 (E_RNA)
where:
Base-Base interactions energy: -534.777
where: short stacking energy: -234.438
Base-Backbone interact. energy: -0.053
local terms energy: -250.384866
where:
bonds (distance) C4'-P energy: -42.477
bonds (distance) P-C4' energy: -49.095
flat angles C4'-P-C4' energy: -57.095
flat angles P-C4'-P energy: -31.385
tors. eta vs tors. theta energy: -70.333
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: 258
Temperature: 1.200000
Total energy: -695.535142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.535142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.535142 (E_RNA)
where:
Base-Base interactions energy: -477.662
where: short stacking energy: -211.934
Base-Backbone interact. energy: 1.501
local terms energy: -219.373896
where:
bonds (distance) C4'-P energy: -50.237
bonds (distance) P-C4' energy: -45.858
flat angles C4'-P-C4' energy: -41.952
flat angles P-C4'-P energy: -24.831
tors. eta vs tors. theta energy: -56.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -722.700601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.700601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.700601 (E_RNA)
where:
Base-Base interactions energy: -495.135
where: short stacking energy: -210.620
Base-Backbone interact. energy: -1.214
local terms energy: -226.351228
where:
bonds (distance) C4'-P energy: -37.621
bonds (distance) P-C4' energy: -46.678
flat angles C4'-P-C4' energy: -56.146
flat angles P-C4'-P energy: -29.908
tors. eta vs tors. theta energy: -55.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -535.678216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.678216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.678216 (E_RNA)
where:
Base-Base interactions energy: -353.088
where: short stacking energy: -149.744
Base-Backbone interact. energy: -1.497
local terms energy: -181.094008
where:
bonds (distance) C4'-P energy: -35.988
bonds (distance) P-C4' energy: -43.292
flat angles C4'-P-C4' energy: -49.967
flat angles P-C4'-P energy: -22.406
tors. eta vs tors. theta energy: -29.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -418.901799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.901799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.901799 (E_RNA)
where:
Base-Base interactions energy: -245.144
where: short stacking energy: -110.017
Base-Backbone interact. energy: 3.856
local terms energy: -177.614190
where:
bonds (distance) C4'-P energy: -42.720
bonds (distance) P-C4' energy: -50.256
flat angles C4'-P-C4' energy: -52.842
flat angles P-C4'-P energy: -25.571
tors. eta vs tors. theta energy: -6.225
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: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -966.304463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.304463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.304463 (E_RNA)
where:
Base-Base interactions energy: -669.883
where: short stacking energy: -284.050
Base-Backbone interact. energy: -0.343
local terms energy: -296.078463
where:
bonds (distance) C4'-P energy: -51.334
bonds (distance) P-C4' energy: -49.919
flat angles C4'-P-C4' energy: -60.464
flat angles P-C4'-P energy: -43.154
tors. eta vs tors. theta energy: -91.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -963.044926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.044926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.044926 (E_RNA)
where:
Base-Base interactions energy: -666.856
where: short stacking energy: -291.380
Base-Backbone interact. energy: -0.863
local terms energy: -295.325938
where:
bonds (distance) C4'-P energy: -50.537
bonds (distance) P-C4' energy: -54.437
flat angles C4'-P-C4' energy: -60.645
flat angles P-C4'-P energy: -42.593
tors. eta vs tors. theta energy: -87.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -917.818741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.818741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.818741 (E_RNA)
where:
Base-Base interactions energy: -636.378
where: short stacking energy: -266.415
Base-Backbone interact. energy: -0.359
local terms energy: -281.082139
where:
bonds (distance) C4'-P energy: -46.239
bonds (distance) P-C4' energy: -53.936
flat angles C4'-P-C4' energy: -52.855
flat angles P-C4'-P energy: -46.754
tors. eta vs tors. theta energy: -81.299
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: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -862.607382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.607382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.607382 (E_RNA)
where:
Base-Base interactions energy: -596.539
where: short stacking energy: -242.364
Base-Backbone interact. energy: -1.885
local terms energy: -264.183422
where:
bonds (distance) C4'-P energy: -53.717
bonds (distance) P-C4' energy: -48.795
flat angles C4'-P-C4' energy: -53.752
flat angles P-C4'-P energy: -40.046
tors. eta vs tors. theta energy: -67.873
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: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -813.991542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.991542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.991542 (E_RNA)
where:
Base-Base interactions energy: -559.552
where: short stacking energy: -229.624
Base-Backbone interact. energy: -1.218
local terms energy: -253.221823
where:
bonds (distance) C4'-P energy: -45.779
bonds (distance) P-C4' energy: -48.332
flat angles C4'-P-C4' energy: -60.149
flat angles P-C4'-P energy: -35.701
tors. eta vs tors. theta energy: -63.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -772.734131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.734131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.734131 (E_RNA)
where:
Base-Base interactions energy: -514.495
where: short stacking energy: -224.359
Base-Backbone interact. energy: -0.576
local terms energy: -257.663058
where:
bonds (distance) C4'-P energy: -48.768
bonds (distance) P-C4' energy: -59.618
flat angles C4'-P-C4' energy: -51.734
flat angles P-C4'-P energy: -35.954
tors. eta vs tors. theta energy: -61.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -679.239415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.239415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.239415 (E_RNA)
where:
Base-Base interactions energy: -451.677
where: short stacking energy: -189.451
Base-Backbone interact. energy: -1.057
local terms energy: -226.505672
where:
bonds (distance) C4'-P energy: -45.054
bonds (distance) P-C4' energy: -52.149
flat angles C4'-P-C4' energy: -48.723
flat angles P-C4'-P energy: -31.232
tors. eta vs tors. theta energy: -49.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -716.210066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.210066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.210066 (E_RNA)
where:
Base-Base interactions energy: -481.667
where: short stacking energy: -192.078
Base-Backbone interact. energy: -0.565
local terms energy: -233.978212
where:
bonds (distance) C4'-P energy: -41.183
bonds (distance) P-C4' energy: -44.763
flat angles C4'-P-C4' energy: -54.008
flat angles P-C4'-P energy: -41.096
tors. eta vs tors. theta energy: -52.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -554.788094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.788094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.788094 (E_RNA)
where:
Base-Base interactions energy: -341.244
where: short stacking energy: -140.261
Base-Backbone interact. energy: 0.125
local terms energy: -213.668629
where:
bonds (distance) C4'-P energy: -37.364
bonds (distance) P-C4' energy: -45.969
flat angles C4'-P-C4' energy: -54.269
flat angles P-C4'-P energy: -27.176
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: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -360.800785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.800785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.800785 (E_RNA)
where:
Base-Base interactions energy: -214.813
where: short stacking energy: -104.785
Base-Backbone interact. energy: -0.716
local terms energy: -145.271405
where:
bonds (distance) C4'-P energy: -40.722
bonds (distance) P-C4' energy: -55.110
flat angles C4'-P-C4' energy: -30.286
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -11.285
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: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -972.716981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.716981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.716981 (E_RNA)
where:
Base-Base interactions energy: -659.108
where: short stacking energy: -282.298
Base-Backbone interact. energy: 0.287
local terms energy: -313.895424
where:
bonds (distance) C4'-P energy: -57.979
bonds (distance) P-C4' energy: -57.732
flat angles C4'-P-C4' energy: -58.630
flat angles P-C4'-P energy: -47.643
tors. eta vs tors. theta energy: -91.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -962.184326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.184326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.184326 (E_RNA)
where:
Base-Base interactions energy: -663.298
where: short stacking energy: -305.142
Base-Backbone interact. energy: 0.330
local terms energy: -299.216595
where:
bonds (distance) C4'-P energy: -51.054
bonds (distance) P-C4' energy: -56.798
flat angles C4'-P-C4' energy: -61.938
flat angles P-C4'-P energy: -42.379
tors. eta vs tors. theta energy: -87.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -894.877144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.877144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.877144 (E_RNA)
where:
Base-Base interactions energy: -623.326
where: short stacking energy: -277.104
Base-Backbone interact. energy: -0.433
local terms energy: -271.118130
where:
bonds (distance) C4'-P energy: -51.385
bonds (distance) P-C4' energy: -45.099
flat angles C4'-P-C4' energy: -55.721
flat angles P-C4'-P energy: -38.941
tors. eta vs tors. theta energy: -79.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -881.385386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.385386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.385386 (E_RNA)
where:
Base-Base interactions energy: -614.332
where: short stacking energy: -256.615
Base-Backbone interact. energy: -0.665
local terms energy: -266.388404
where:
bonds (distance) C4'-P energy: -51.325
bonds (distance) P-C4' energy: -41.952
flat angles C4'-P-C4' energy: -58.526
flat angles P-C4'-P energy: -41.658
tors. eta vs tors. theta energy: -72.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -817.174932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.174932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.174932 (E_RNA)
where:
Base-Base interactions energy: -564.641
where: short stacking energy: -230.311
Base-Backbone interact. energy: -0.510
local terms energy: -252.023943
where:
bonds (distance) C4'-P energy: -46.096
bonds (distance) P-C4' energy: -53.617
flat angles C4'-P-C4' energy: -52.126
flat angles P-C4'-P energy: -41.927
tors. eta vs tors. theta energy: -58.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -772.599684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.599684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.599684 (E_RNA)
where:
Base-Base interactions energy: -522.272
where: short stacking energy: -231.543
Base-Backbone interact. energy: -0.339
local terms energy: -249.989183
where:
bonds (distance) C4'-P energy: -36.152
bonds (distance) P-C4' energy: -45.321
flat angles C4'-P-C4' energy: -60.767
flat angles P-C4'-P energy: -39.917
tors. eta vs tors. theta energy: -67.833
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: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -757.045317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.045317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.045317 (E_RNA)
where:
Base-Base interactions energy: -517.928
where: short stacking energy: -214.989
Base-Backbone interact. energy: 0.280
local terms energy: -239.398026
where:
bonds (distance) C4'-P energy: -48.557
bonds (distance) P-C4' energy: -47.494
flat angles C4'-P-C4' energy: -52.691
flat angles P-C4'-P energy: -37.434
tors. eta vs tors. theta energy: -53.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -705.740396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.740396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.740396 (E_RNA)
where:
Base-Base interactions energy: -479.632
where: short stacking energy: -188.160
Base-Backbone interact. energy: -1.032
local terms energy: -225.076628
where:
bonds (distance) C4'-P energy: -43.787
bonds (distance) P-C4' energy: -49.428
flat angles C4'-P-C4' energy: -53.676
flat angles P-C4'-P energy: -31.341
tors. eta vs tors. theta energy: -46.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -592.252808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.252808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.252808 (E_RNA)
where:
Base-Base interactions energy: -385.127
where: short stacking energy: -164.982
Base-Backbone interact. energy: -0.387
local terms energy: -206.738236
where:
bonds (distance) C4'-P energy: -42.506
bonds (distance) P-C4' energy: -44.865
flat angles C4'-P-C4' energy: -46.090
flat angles P-C4'-P energy: -35.284
tors. eta vs tors. theta energy: -37.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -350.899187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.899187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.899187 (E_RNA)
where:
Base-Base interactions energy: -198.942
where: short stacking energy: -77.660
Base-Backbone interact. energy: -0.138
local terms energy: -151.819028
where:
bonds (distance) C4'-P energy: -38.350
bonds (distance) P-C4' energy: -44.307
flat angles C4'-P-C4' energy: -49.149
flat angles P-C4'-P energy: -23.886
tors. eta vs tors. theta energy: 3.873
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: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -970.586634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.586634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.586634 (E_RNA)
where:
Base-Base interactions energy: -683.489
where: short stacking energy: -293.312
Base-Backbone interact. energy: -0.843
local terms energy: -286.254890
where:
bonds (distance) C4'-P energy: -50.753
bonds (distance) P-C4' energy: -52.606
flat angles C4'-P-C4' energy: -60.728
flat angles P-C4'-P energy: -34.571
tors. eta vs tors. theta energy: -87.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -942.818095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.818095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.818095 (E_RNA)
where:
Base-Base interactions energy: -662.498
where: short stacking energy: -292.892
Base-Backbone interact. energy: 1.250
local terms energy: -281.569911
where:
bonds (distance) C4'-P energy: -48.956
bonds (distance) P-C4' energy: -47.041
flat angles C4'-P-C4' energy: -60.313
flat angles P-C4'-P energy: -38.193
tors. eta vs tors. theta energy: -87.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -906.106987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.106987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.106987 (E_RNA)
where:
Base-Base interactions energy: -636.506
where: short stacking energy: -277.361
Base-Backbone interact. energy: -0.488
local terms energy: -269.112421
where:
bonds (distance) C4'-P energy: -41.039
bonds (distance) P-C4' energy: -47.508
flat angles C4'-P-C4' energy: -60.764
flat angles P-C4'-P energy: -39.676
tors. eta vs tors. theta energy: -80.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -891.557482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.557482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.557482 (E_RNA)
where:
Base-Base interactions energy: -626.956
where: short stacking energy: -260.769
Base-Backbone interact. energy: -3.575
local terms energy: -261.026503
where:
bonds (distance) C4'-P energy: -42.122
bonds (distance) P-C4' energy: -39.764
flat angles C4'-P-C4' energy: -65.020
flat angles P-C4'-P energy: -39.097
tors. eta vs tors. theta energy: -75.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -845.140837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.140837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.140837 (E_RNA)
where:
Base-Base interactions energy: -581.414
where: short stacking energy: -246.210
Base-Backbone interact. energy: -0.619
local terms energy: -263.107725
where:
bonds (distance) C4'-P energy: -55.819
bonds (distance) P-C4' energy: -49.159
flat angles C4'-P-C4' energy: -57.182
flat angles P-C4'-P energy: -32.008
tors. eta vs tors. theta energy: -68.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -794.374722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.374722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.374722 (E_RNA)
where:
Base-Base interactions energy: -530.556
where: short stacking energy: -238.668
Base-Backbone interact. energy: 0.181
local terms energy: -263.999687
where:
bonds (distance) C4'-P energy: -43.685
bonds (distance) P-C4' energy: -54.321
flat angles C4'-P-C4' energy: -55.770
flat angles P-C4'-P energy: -39.083
tors. eta vs tors. theta energy: -71.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -753.375719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.375719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.375719 (E_RNA)
where:
Base-Base interactions energy: -528.541
where: short stacking energy: -215.925
Base-Backbone interact. energy: 1.669
local terms energy: -226.503652
where:
bonds (distance) C4'-P energy: -41.174
bonds (distance) P-C4' energy: -38.952
flat angles C4'-P-C4' energy: -51.532
flat angles P-C4'-P energy: -30.672
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: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -724.885320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.885320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.885320 (E_RNA)
where:
Base-Base interactions energy: -492.233
where: short stacking energy: -199.517
Base-Backbone interact. energy: -0.998
local terms energy: -231.654394
where:
bonds (distance) C4'-P energy: -49.975
bonds (distance) P-C4' energy: -43.959
flat angles C4'-P-C4' energy: -51.431
flat angles P-C4'-P energy: -33.545
tors. eta vs tors. theta energy: -52.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -547.624791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.624791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.624791 (E_RNA)
where:
Base-Base interactions energy: -343.867
where: short stacking energy: -147.939
Base-Backbone interact. energy: 2.453
local terms energy: -206.211112
where:
bonds (distance) C4'-P energy: -47.604
bonds (distance) P-C4' energy: -49.971
flat angles C4'-P-C4' energy: -48.315
flat angles P-C4'-P energy: -31.412
tors. eta vs tors. theta energy: -28.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -377.675747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.675747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.675747 (E_RNA)
where:
Base-Base interactions energy: -230.978
where: short stacking energy: -104.625
Base-Backbone interact. energy: -0.307
local terms energy: -146.390930
where:
bonds (distance) C4'-P energy: -38.441
bonds (distance) P-C4' energy: -40.783
flat angles C4'-P-C4' energy: -36.786
flat angles P-C4'-P energy: -22.637
tors. eta vs tors. theta energy: -7.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -961.954066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.954066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.954066 (E_RNA)
where:
Base-Base interactions energy: -664.648
where: short stacking energy: -292.385
Base-Backbone interact. energy: -0.561
local terms energy: -296.744299
where:
bonds (distance) C4'-P energy: -55.035
bonds (distance) P-C4' energy: -52.331
flat angles C4'-P-C4' energy: -57.958
flat angles P-C4'-P energy: -44.020
tors. eta vs tors. theta energy: -87.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -943.495124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.495124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.495124 (E_RNA)
where:
Base-Base interactions energy: -657.307
where: short stacking energy: -274.630
Base-Backbone interact. energy: -1.010
local terms energy: -285.178424
where:
bonds (distance) C4'-P energy: -57.096
bonds (distance) P-C4' energy: -49.606
flat angles C4'-P-C4' energy: -58.221
flat angles P-C4'-P energy: -41.301
tors. eta vs tors. theta energy: -78.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -920.933869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.933869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.933869 (E_RNA)
where:
Base-Base interactions energy: -651.044
where: short stacking energy: -282.684
Base-Backbone interact. energy: -2.774
local terms energy: -267.116110
where:
bonds (distance) C4'-P energy: -44.826
bonds (distance) P-C4' energy: -47.635
flat angles C4'-P-C4' energy: -52.566
flat angles P-C4'-P energy: -40.643
tors. eta vs tors. theta energy: -81.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -869.188425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.188425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.188425 (E_RNA)
where:
Base-Base interactions energy: -611.702
where: short stacking energy: -254.572
Base-Backbone interact. energy: 1.968
local terms energy: -259.454496
where:
bonds (distance) C4'-P energy: -52.445
bonds (distance) P-C4' energy: -46.593
flat angles C4'-P-C4' energy: -52.145
flat angles P-C4'-P energy: -35.063
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: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -858.715923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.715923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.715923 (E_RNA)
where:
Base-Base interactions energy: -583.349
where: short stacking energy: -238.770
Base-Backbone interact. energy: -0.618
local terms energy: -274.749011
where:
bonds (distance) C4'-P energy: -47.655
bonds (distance) P-C4' energy: -55.026
flat angles C4'-P-C4' energy: -59.526
flat angles P-C4'-P energy: -41.850
tors. eta vs tors. theta energy: -70.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -797.136093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.136093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.136093 (E_RNA)
where:
Base-Base interactions energy: -545.262
where: short stacking energy: -229.623
Base-Backbone interact. energy: -0.676
local terms energy: -251.198143
where:
bonds (distance) C4'-P energy: -45.826
bonds (distance) P-C4' energy: -50.626
flat angles C4'-P-C4' energy: -53.990
flat angles P-C4'-P energy: -33.647
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: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -760.533840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.533840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.533840 (E_RNA)
where:
Base-Base interactions energy: -534.701
where: short stacking energy: -213.099
Base-Backbone interact. energy: 0.865
local terms energy: -226.697114
where:
bonds (distance) C4'-P energy: -48.042
bonds (distance) P-C4' energy: -50.552
flat angles C4'-P-C4' energy: -49.065
flat angles P-C4'-P energy: -32.525
tors. eta vs tors. theta energy: -46.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -762.739988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.739988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.739988 (E_RNA)
where:
Base-Base interactions energy: -509.963
where: short stacking energy: -223.250
Base-Backbone interact. energy: -0.074
local terms energy: -252.703218
where:
bonds (distance) C4'-P energy: -46.248
bonds (distance) P-C4' energy: -33.671
flat angles C4'-P-C4' energy: -57.022
flat angles P-C4'-P energy: -45.180
tors. eta vs tors. theta energy: -70.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -587.772387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.772387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.772387 (E_RNA)
where:
Base-Base interactions energy: -379.936
where: short stacking energy: -152.440
Base-Backbone interact. energy: 0.358
local terms energy: -208.194508
where:
bonds (distance) C4'-P energy: -43.434
bonds (distance) P-C4' energy: -57.552
flat angles C4'-P-C4' energy: -52.194
flat angles P-C4'-P energy: -24.141
tors. eta vs tors. theta energy: -30.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -322.516802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.516802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.516802 (E_RNA)
where:
Base-Base interactions energy: -174.473
where: short stacking energy: -92.272
Base-Backbone interact. energy: 1.144
local terms energy: -149.187979
where:
bonds (distance) C4'-P energy: -39.401
bonds (distance) P-C4' energy: -48.518
flat angles C4'-P-C4' energy: -45.311
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -6.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -975.115414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.115414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.115414 (E_RNA)
where:
Base-Base interactions energy: -681.835
where: short stacking energy: -305.512
Base-Backbone interact. energy: -1.312
local terms energy: -291.968015
where:
bonds (distance) C4'-P energy: -53.243
bonds (distance) P-C4' energy: -51.850
flat angles C4'-P-C4' energy: -57.350
flat angles P-C4'-P energy: -38.001
tors. eta vs tors. theta energy: -91.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -918.590599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.590599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.590599 (E_RNA)
where:
Base-Base interactions energy: -643.391
where: short stacking energy: -278.740
Base-Backbone interact. energy: -1.247
local terms energy: -273.952549
where:
bonds (distance) C4'-P energy: -44.241
bonds (distance) P-C4' energy: -52.473
flat angles C4'-P-C4' energy: -53.712
flat angles P-C4'-P energy: -42.818
tors. eta vs tors. theta energy: -80.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -918.584409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.584409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.584409 (E_RNA)
where:
Base-Base interactions energy: -635.690
where: short stacking energy: -276.752
Base-Backbone interact. energy: -0.606
local terms energy: -282.288329
where:
bonds (distance) C4'-P energy: -49.419
bonds (distance) P-C4' energy: -48.067
flat angles C4'-P-C4' energy: -60.282
flat angles P-C4'-P energy: -42.168
tors. eta vs tors. theta energy: -82.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -872.605065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.605065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.605065 (E_RNA)
where:
Base-Base interactions energy: -597.474
where: short stacking energy: -267.256
Base-Backbone interact. energy: 0.193
local terms energy: -275.324656
where:
bonds (distance) C4'-P energy: -49.024
bonds (distance) P-C4' energy: -50.368
flat angles C4'-P-C4' energy: -61.195
flat angles P-C4'-P energy: -37.359
tors. eta vs tors. theta energy: -77.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -896.410332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.410332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.410332 (E_RNA)
where:
Base-Base interactions energy: -642.713
where: short stacking energy: -261.376
Base-Backbone interact. energy: -1.531
local terms energy: -252.166413
where:
bonds (distance) C4'-P energy: -44.140
bonds (distance) P-C4' energy: -51.248
flat angles C4'-P-C4' energy: -56.876
flat angles P-C4'-P energy: -26.786
tors. eta vs tors. theta energy: -73.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -776.539852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.539852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.539852 (E_RNA)
where:
Base-Base interactions energy: -522.715
where: short stacking energy: -218.346
Base-Backbone interact. energy: -1.464
local terms energy: -252.361060
where:
bonds (distance) C4'-P energy: -42.855
bonds (distance) P-C4' energy: -55.230
flat angles C4'-P-C4' energy: -43.420
flat angles P-C4'-P energy: -40.227
tors. eta vs tors. theta energy: -70.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -771.926889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.926889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.926889 (E_RNA)
where:
Base-Base interactions energy: -524.009
where: short stacking energy: -224.956
Base-Backbone interact. energy: -0.203
local terms energy: -247.714705
where:
bonds (distance) C4'-P energy: -40.145
bonds (distance) P-C4' energy: -44.103
flat angles C4'-P-C4' energy: -59.894
flat angles P-C4'-P energy: -41.798
tors. eta vs tors. theta energy: -61.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -721.851352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.851352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.851352 (E_RNA)
where:
Base-Base interactions energy: -501.734
where: short stacking energy: -201.795
Base-Backbone interact. energy: -0.502
local terms energy: -219.615127
where:
bonds (distance) C4'-P energy: -40.331
bonds (distance) P-C4' energy: -53.331
flat angles C4'-P-C4' energy: -46.047
flat angles P-C4'-P energy: -24.612
tors. eta vs tors. theta energy: -55.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -587.964310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.964310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.964310 (E_RNA)
where:
Base-Base interactions energy: -381.134
where: short stacking energy: -157.256
Base-Backbone interact. energy: -2.713
local terms energy: -204.117734
where:
bonds (distance) C4'-P energy: -50.503
bonds (distance) P-C4' energy: -40.418
flat angles C4'-P-C4' energy: -34.501
flat angles P-C4'-P energy: -38.029
tors. eta vs tors. theta energy: -40.667
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: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -335.904612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.904612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.904612 (E_RNA)
where:
Base-Base interactions energy: -169.907
where: short stacking energy: -104.267
Base-Backbone interact. energy: 5.939
local terms energy: -171.936565
where:
bonds (distance) C4'-P energy: -44.882
bonds (distance) P-C4' energy: -48.257
flat angles C4'-P-C4' energy: -39.373
flat angles P-C4'-P energy: -29.278
tors. eta vs tors. theta energy: -10.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -950.443095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.443095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.443095 (E_RNA)
where:
Base-Base interactions energy: -660.936
where: short stacking energy: -290.514
Base-Backbone interact. energy: 0.785
local terms energy: -290.291954
where:
bonds (distance) C4'-P energy: -43.027
bonds (distance) P-C4' energy: -55.543
flat angles C4'-P-C4' energy: -61.308
flat angles P-C4'-P energy: -42.730
tors. eta vs tors. theta energy: -87.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -949.091128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.091128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.091128 (E_RNA)
where:
Base-Base interactions energy: -661.986
where: short stacking energy: -297.587
Base-Backbone interact. energy: -1.331
local terms energy: -285.773883
where:
bonds (distance) C4'-P energy: -46.832
bonds (distance) P-C4' energy: -54.451
flat angles C4'-P-C4' energy: -56.481
flat angles P-C4'-P energy: -36.919
tors. eta vs tors. theta energy: -91.091
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: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -925.306395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.306395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.306395 (E_RNA)
where:
Base-Base interactions energy: -647.535
where: short stacking energy: -269.253
Base-Backbone interact. energy: -0.225
local terms energy: -277.546469
where:
bonds (distance) C4'-P energy: -44.591
bonds (distance) P-C4' energy: -50.512
flat angles C4'-P-C4' energy: -52.243
flat angles P-C4'-P energy: -44.744
tors. eta vs tors. theta energy: -85.457
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: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -844.749144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.749144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.749144 (E_RNA)
where:
Base-Base interactions energy: -596.070
where: short stacking energy: -247.811
Base-Backbone interact. energy: -0.639
local terms energy: -248.040279
where:
bonds (distance) C4'-P energy: -53.870
bonds (distance) P-C4' energy: -47.574
flat angles C4'-P-C4' energy: -47.003
flat angles P-C4'-P energy: -32.270
tors. eta vs tors. theta energy: -67.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -890.784035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.784035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.784035 (E_RNA)
where:
Base-Base interactions energy: -649.641
where: short stacking energy: -264.991
Base-Backbone interact. energy: 0.355
local terms energy: -241.498311
where:
bonds (distance) C4'-P energy: -42.072
bonds (distance) P-C4' energy: -47.156
flat angles C4'-P-C4' energy: -54.496
flat angles P-C4'-P energy: -29.669
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: 6, replica: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -782.455682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.455682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.455682 (E_RNA)
where:
Base-Base interactions energy: -552.184
where: short stacking energy: -232.676
Base-Backbone interact. energy: -0.842
local terms energy: -229.430246
where:
bonds (distance) C4'-P energy: -35.680
bonds (distance) P-C4' energy: -45.858
flat angles C4'-P-C4' energy: -52.057
flat angles P-C4'-P energy: -35.650
tors. eta vs tors. theta energy: -60.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -774.741378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.741378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.741378 (E_RNA)
where:
Base-Base interactions energy: -506.624
where: short stacking energy: -221.844
Base-Backbone interact. energy: 2.080
local terms energy: -270.197682
where:
bonds (distance) C4'-P energy: -52.861
bonds (distance) P-C4' energy: -55.912
flat angles C4'-P-C4' energy: -58.113
flat angles P-C4'-P energy: -40.409
tors. eta vs tors. theta energy: -62.902
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: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -686.588188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.588188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.588188 (E_RNA)
where:
Base-Base interactions energy: -467.318
where: short stacking energy: -180.596
Base-Backbone interact. energy: 0.053
local terms energy: -219.323081
where:
bonds (distance) C4'-P energy: -38.360
bonds (distance) P-C4' energy: -48.653
flat angles C4'-P-C4' energy: -51.384
flat angles P-C4'-P energy: -29.597
tors. eta vs tors. theta energy: -51.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -633.751153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.751153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.751153 (E_RNA)
where:
Base-Base interactions energy: -431.482
where: short stacking energy: -174.084
Base-Backbone interact. energy: -0.138
local terms energy: -202.130816
where:
bonds (distance) C4'-P energy: -37.096
bonds (distance) P-C4' energy: -40.241
flat angles C4'-P-C4' energy: -46.379
flat angles P-C4'-P energy: -27.106
tors. eta vs tors. theta energy: -51.309
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: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -328.002186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.002186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.002186 (E_RNA)
where:
Base-Base interactions energy: -181.452
where: short stacking energy: -99.564
Base-Backbone interact. energy: 2.453
local terms energy: -149.003335
where:
bonds (distance) C4'-P energy: -34.782
bonds (distance) P-C4' energy: -49.196
flat angles C4'-P-C4' energy: -32.196
flat angles P-C4'-P energy: -26.949
tors. eta vs tors. theta energy: -5.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -958.238292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.238292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.238292 (E_RNA)
where:
Base-Base interactions energy: -668.782
where: short stacking energy: -286.828
Base-Backbone interact. energy: 0.268
local terms energy: -289.724025
where:
bonds (distance) C4'-P energy: -48.525
bonds (distance) P-C4' energy: -52.744
flat angles C4'-P-C4' energy: -57.354
flat angles P-C4'-P energy: -48.723
tors. eta vs tors. theta energy: -82.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -939.955617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.955617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.955617 (E_RNA)
where:
Base-Base interactions energy: -657.395
where: short stacking energy: -280.262
Base-Backbone interact. energy: 0.720
local terms energy: -283.280751
where:
bonds (distance) C4'-P energy: -52.796
bonds (distance) P-C4' energy: -48.024
flat angles C4'-P-C4' energy: -56.919
flat angles P-C4'-P energy: -42.753
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: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -934.049907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.049907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.049907 (E_RNA)
where:
Base-Base interactions energy: -644.120
where: short stacking energy: -278.183
Base-Backbone interact. energy: -0.086
local terms energy: -289.843835
where:
bonds (distance) C4'-P energy: -42.997
bonds (distance) P-C4' energy: -54.116
flat angles C4'-P-C4' energy: -59.191
flat angles P-C4'-P energy: -48.156
tors. eta vs tors. theta energy: -85.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -868.544102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.544102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.544102 (E_RNA)
where:
Base-Base interactions energy: -607.761
where: short stacking energy: -272.594
Base-Backbone interact. energy: -1.286
local terms energy: -259.496994
where:
bonds (distance) C4'-P energy: -48.529
bonds (distance) P-C4' energy: -46.879
flat angles C4'-P-C4' energy: -60.781
flat angles P-C4'-P energy: -29.384
tors. eta vs tors. theta energy: -73.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -846.205794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.205794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.205794 (E_RNA)
where:
Base-Base interactions energy: -615.005
where: short stacking energy: -220.675
Base-Backbone interact. energy: 0.220
local terms energy: -231.421112
where:
bonds (distance) C4'-P energy: -46.716
bonds (distance) P-C4' energy: -45.575
flat angles C4'-P-C4' energy: -51.995
flat angles P-C4'-P energy: -22.962
tors. eta vs tors. theta energy: -64.172
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: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -783.335905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.335905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.335905 (E_RNA)
where:
Base-Base interactions energy: -551.906
where: short stacking energy: -240.943
Base-Backbone interact. energy: -0.155
local terms energy: -231.274858
where:
bonds (distance) C4'-P energy: -41.473
bonds (distance) P-C4' energy: -45.119
flat angles C4'-P-C4' energy: -53.191
flat angles P-C4'-P energy: -26.478
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: 7, replica: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -757.574158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.574158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.574158 (E_RNA)
where:
Base-Base interactions energy: -527.591
where: short stacking energy: -215.832
Base-Backbone interact. energy: -0.545
local terms energy: -229.437909
where:
bonds (distance) C4'-P energy: -42.037
bonds (distance) P-C4' energy: -47.058
flat angles C4'-P-C4' energy: -43.890
flat angles P-C4'-P energy: -39.433
tors. eta vs tors. theta energy: -57.022
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: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -672.618173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.618173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.618173 (E_RNA)
where:
Base-Base interactions energy: -475.108
where: short stacking energy: -175.902
Base-Backbone interact. energy: 1.941
local terms energy: -199.451250
where:
bonds (distance) C4'-P energy: -44.205
bonds (distance) P-C4' energy: -45.783
flat angles C4'-P-C4' energy: -50.927
flat angles P-C4'-P energy: -20.679
tors. eta vs tors. theta energy: -37.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -625.291617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.291617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.291617 (E_RNA)
where:
Base-Base interactions energy: -425.834
where: short stacking energy: -170.943
Base-Backbone interact. energy: 6.033
local terms energy: -205.490464
where:
bonds (distance) C4'-P energy: -42.988
bonds (distance) P-C4' energy: -45.222
flat angles C4'-P-C4' energy: -51.779
flat angles P-C4'-P energy: -26.042
tors. eta vs tors. theta energy: -39.460
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: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -324.146189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.146189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.146189 (E_RNA)
where:
Base-Base interactions energy: -177.150
where: short stacking energy: -85.570
Base-Backbone interact. energy: -0.936
local terms energy: -146.060090
where:
bonds (distance) C4'-P energy: -38.381
bonds (distance) P-C4' energy: -44.615
flat angles C4'-P-C4' energy: -37.104
flat angles P-C4'-P energy: -24.399
tors. eta vs tors. theta energy: -1.562
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: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -952.079109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.079109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.079109 (E_RNA)
where:
Base-Base interactions energy: -654.722
where: short stacking energy: -285.376
Base-Backbone interact. energy: -0.163
local terms energy: -297.194394
where:
bonds (distance) C4'-P energy: -52.373
bonds (distance) P-C4' energy: -54.202
flat angles C4'-P-C4' energy: -61.552
flat angles P-C4'-P energy: -44.014
tors. eta vs tors. theta energy: -85.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -939.064163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.064163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.064163 (E_RNA)
where:
Base-Base interactions energy: -649.118
where: short stacking energy: -279.022
Base-Backbone interact. energy: -1.139
local terms energy: -288.807602
where:
bonds (distance) C4'-P energy: -52.652
bonds (distance) P-C4' energy: -51.228
flat angles C4'-P-C4' energy: -58.716
flat angles P-C4'-P energy: -41.421
tors. eta vs tors. theta energy: -84.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -934.798699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.798699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.798699 (E_RNA)
where:
Base-Base interactions energy: -658.764
where: short stacking energy: -292.929
Base-Backbone interact. energy: -0.053
local terms energy: -275.981646
where:
bonds (distance) C4'-P energy: -43.874
bonds (distance) P-C4' energy: -47.015
flat angles C4'-P-C4' energy: -57.858
flat angles P-C4'-P energy: -38.370
tors. eta vs tors. theta energy: -88.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -869.067585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.067585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.067585 (E_RNA)
where:
Base-Base interactions energy: -598.386
where: short stacking energy: -256.118
Base-Backbone interact. energy: -1.673
local terms energy: -269.008327
where:
bonds (distance) C4'-P energy: -44.116
bonds (distance) P-C4' energy: -53.857
flat angles C4'-P-C4' energy: -62.363
flat angles P-C4'-P energy: -40.007
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: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -866.045931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.045931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.045931 (E_RNA)
where:
Base-Base interactions energy: -614.020
where: short stacking energy: -251.563
Base-Backbone interact. energy: -1.613
local terms energy: -250.413277
where:
bonds (distance) C4'-P energy: -41.128
bonds (distance) P-C4' energy: -45.614
flat angles C4'-P-C4' energy: -56.733
flat angles P-C4'-P energy: -38.601
tors. eta vs tors. theta energy: -68.338
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: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -794.043031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.043031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.043031 (E_RNA)
where:
Base-Base interactions energy: -531.653
where: short stacking energy: -246.620
Base-Backbone interact. energy: 3.277
local terms energy: -265.667556
where:
bonds (distance) C4'-P energy: -48.956
bonds (distance) P-C4' energy: -55.686
flat angles C4'-P-C4' energy: -57.500
flat angles P-C4'-P energy: -36.786
tors. eta vs tors. theta energy: -66.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -747.689889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.689889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.689889 (E_RNA)
where:
Base-Base interactions energy: -513.661
where: short stacking energy: -211.863
Base-Backbone interact. energy: -1.718
local terms energy: -232.310795
where:
bonds (distance) C4'-P energy: -46.451
bonds (distance) P-C4' energy: -53.128
flat angles C4'-P-C4' energy: -52.684
flat angles P-C4'-P energy: -27.741
tors. eta vs tors. theta energy: -52.307
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: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -666.978804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.978804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.978804 (E_RNA)
where:
Base-Base interactions energy: -440.710
where: short stacking energy: -187.201
Base-Backbone interact. energy: 0.631
local terms energy: -226.899865
where:
bonds (distance) C4'-P energy: -46.260
bonds (distance) P-C4' energy: -43.039
flat angles C4'-P-C4' energy: -51.940
flat angles P-C4'-P energy: -34.032
tors. eta vs tors. theta energy: -51.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -603.206643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.206643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.206643 (E_RNA)
where:
Base-Base interactions energy: -396.520
where: short stacking energy: -183.029
Base-Backbone interact. energy: 0.157
local terms energy: -206.843950
where:
bonds (distance) C4'-P energy: -38.420
bonds (distance) P-C4' energy: -53.777
flat angles C4'-P-C4' energy: -56.271
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -44.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -321.356549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.356549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.356549 (E_RNA)
where:
Base-Base interactions energy: -165.421
where: short stacking energy: -85.268
Base-Backbone interact. energy: -1.134
local terms energy: -154.802039
where:
bonds (distance) C4'-P energy: -46.758
bonds (distance) P-C4' energy: -44.497
flat angles C4'-P-C4' energy: -30.776
flat angles P-C4'-P energy: -26.619
tors. eta vs tors. theta energy: -6.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -967.196992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.196992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.196992 (E_RNA)
where:
Base-Base interactions energy: -677.247
where: short stacking energy: -288.785
Base-Backbone interact. energy: -1.151
local terms energy: -288.798675
where:
bonds (distance) C4'-P energy: -50.350
bonds (distance) P-C4' energy: -57.142
flat angles C4'-P-C4' energy: -55.516
flat angles P-C4'-P energy: -41.909
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: 2, replica: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -958.603445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.603445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.603445 (E_RNA)
where:
Base-Base interactions energy: -664.816
where: short stacking energy: -299.273
Base-Backbone interact. energy: -1.371
local terms energy: -292.416692
where:
bonds (distance) C4'-P energy: -53.277
bonds (distance) P-C4' energy: -54.192
flat angles C4'-P-C4' energy: -56.886
flat angles P-C4'-P energy: -42.658
tors. eta vs tors. theta energy: -85.403
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: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -929.780487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.780487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.780487 (E_RNA)
where:
Base-Base interactions energy: -655.214
where: short stacking energy: -266.751
Base-Backbone interact. energy: -1.198
local terms energy: -273.367559
where:
bonds (distance) C4'-P energy: -43.778
bonds (distance) P-C4' energy: -49.207
flat angles C4'-P-C4' energy: -60.587
flat angles P-C4'-P energy: -41.213
tors. eta vs tors. theta energy: -78.582
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: 267
Temperature: 1.050000
Total energy: -872.675117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.675117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.675117 (E_RNA)
where:
Base-Base interactions energy: -609.453
where: short stacking energy: -248.109
Base-Backbone interact. energy: 2.618
local terms energy: -265.839365
where:
bonds (distance) C4'-P energy: -52.095
bonds (distance) P-C4' energy: -54.632
flat angles C4'-P-C4' energy: -62.833
flat angles P-C4'-P energy: -29.712
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: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -842.894391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.894391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.894391 (E_RNA)
where:
Base-Base interactions energy: -590.621
where: short stacking energy: -267.443
Base-Backbone interact. energy: -0.765
local terms energy: -251.508284
where:
bonds (distance) C4'-P energy: -33.048
bonds (distance) P-C4' energy: -51.969
flat angles C4'-P-C4' energy: -58.030
flat angles P-C4'-P energy: -29.935
tors. eta vs tors. theta energy: -78.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -796.369152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.369152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.369152 (E_RNA)
where:
Base-Base interactions energy: -543.904
where: short stacking energy: -232.758
Base-Backbone interact. energy: -1.380
local terms energy: -251.085047
where:
bonds (distance) C4'-P energy: -40.478
bonds (distance) P-C4' energy: -53.232
flat angles C4'-P-C4' energy: -51.395
flat angles P-C4'-P energy: -40.216
tors. eta vs tors. theta energy: -65.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -749.662970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.662970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.662970 (E_RNA)
where:
Base-Base interactions energy: -537.078
where: short stacking energy: -217.177
Base-Backbone interact. energy: -1.411
local terms energy: -211.174233
where:
bonds (distance) C4'-P energy: -32.991
bonds (distance) P-C4' energy: -38.742
flat angles C4'-P-C4' energy: -46.357
flat angles P-C4'-P energy: -29.683
tors. eta vs tors. theta energy: -63.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -628.517560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.517560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.517560 (E_RNA)
where:
Base-Base interactions energy: -426.206
where: short stacking energy: -176.963
Base-Backbone interact. energy: -0.812
local terms energy: -201.499537
where:
bonds (distance) C4'-P energy: -42.700
bonds (distance) P-C4' energy: -41.801
flat angles C4'-P-C4' energy: -45.024
flat angles P-C4'-P energy: -30.862
tors. eta vs tors. theta energy: -41.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -633.821128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.821128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.821128 (E_RNA)
where:
Base-Base interactions energy: -426.631
where: short stacking energy: -177.367
Base-Backbone interact. energy: -0.505
local terms energy: -206.685099
where:
bonds (distance) C4'-P energy: -42.747
bonds (distance) P-C4' energy: -44.201
flat angles C4'-P-C4' energy: -44.879
flat angles P-C4'-P energy: -28.111
tors. eta vs tors. theta energy: -46.746
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: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -336.196980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.196980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.196980 (E_RNA)
where:
Base-Base interactions energy: -179.626
where: short stacking energy: -91.869
Base-Backbone interact. energy: 2.027
local terms energy: -158.598448
where:
bonds (distance) C4'-P energy: -46.933
bonds (distance) P-C4' energy: -46.648
flat angles C4'-P-C4' energy: -32.488
flat angles P-C4'-P energy: -23.399
tors. eta vs tors. theta energy: -9.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -978.997995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.997995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.997995 (E_RNA)
where:
Base-Base interactions energy: -671.720
where: short stacking energy: -280.136
Base-Backbone interact. energy: -0.062
local terms energy: -307.216107
where:
bonds (distance) C4'-P energy: -56.710
bonds (distance) P-C4' energy: -51.680
flat angles C4'-P-C4' energy: -63.619
flat angles P-C4'-P energy: -51.785
tors. eta vs tors. theta energy: -83.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -964.605945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.605945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.605945 (E_RNA)
where:
Base-Base interactions energy: -679.921
where: short stacking energy: -285.256
Base-Backbone interact. energy: 0.546
local terms energy: -285.231538
where:
bonds (distance) C4'-P energy: -45.680
bonds (distance) P-C4' energy: -49.952
flat angles C4'-P-C4' energy: -66.359
flat angles P-C4'-P energy: -42.929
tors. eta vs tors. theta energy: -80.311
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: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -925.336472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.336472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.336472 (E_RNA)
where:
Base-Base interactions energy: -648.394
where: short stacking energy: -265.497
Base-Backbone interact. energy: -1.540
local terms energy: -275.402182
where:
bonds (distance) C4'-P energy: -45.469
bonds (distance) P-C4' energy: -45.868
flat angles C4'-P-C4' energy: -60.268
flat angles P-C4'-P energy: -41.310
tors. eta vs tors. theta energy: -82.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -881.385430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.385430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.385430 (E_RNA)
where:
Base-Base interactions energy: -629.171
where: short stacking energy: -244.429
Base-Backbone interact. energy: -0.732
local terms energy: -251.482995
where:
bonds (distance) C4'-P energy: -45.618
bonds (distance) P-C4' energy: -46.960
flat angles C4'-P-C4' energy: -47.787
flat angles P-C4'-P energy: -40.705
tors. eta vs tors. theta energy: -70.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -852.504330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.504330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.504330 (E_RNA)
where:
Base-Base interactions energy: -590.676
where: short stacking energy: -246.391
Base-Backbone interact. energy: -0.072
local terms energy: -261.756690
where:
bonds (distance) C4'-P energy: -48.128
bonds (distance) P-C4' energy: -44.521
flat angles C4'-P-C4' energy: -56.496
flat angles P-C4'-P energy: -39.748
tors. eta vs tors. theta energy: -72.863
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: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -789.593025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.593025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.593025 (E_RNA)
where:
Base-Base interactions energy: -537.009
where: short stacking energy: -224.716
Base-Backbone interact. energy: -1.312
local terms energy: -251.272193
where:
bonds (distance) C4'-P energy: -49.245
bonds (distance) P-C4' energy: -52.210
flat angles C4'-P-C4' energy: -59.079
flat angles P-C4'-P energy: -26.884
tors. eta vs tors. theta energy: -63.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -756.137755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.137755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.137755 (E_RNA)
where:
Base-Base interactions energy: -527.295
where: short stacking energy: -215.601
Base-Backbone interact. energy: 1.103
local terms energy: -229.946426
where:
bonds (distance) C4'-P energy: -42.672
bonds (distance) P-C4' energy: -51.239
flat angles C4'-P-C4' energy: -46.808
flat angles P-C4'-P energy: -39.933
tors. eta vs tors. theta energy: -49.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -632.318477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.318477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.318477 (E_RNA)
where:
Base-Base interactions energy: -398.337
where: short stacking energy: -188.033
Base-Backbone interact. energy: -0.889
local terms energy: -233.092021
where:
bonds (distance) C4'-P energy: -44.968
bonds (distance) P-C4' energy: -45.511
flat angles C4'-P-C4' energy: -57.196
flat angles P-C4'-P energy: -36.261
tors. eta vs tors. theta energy: -49.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -618.971756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.971756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.971756 (E_RNA)
where:
Base-Base interactions energy: -406.707
where: short stacking energy: -166.706
Base-Backbone interact. energy: -1.067
local terms energy: -211.197937
where:
bonds (distance) C4'-P energy: -47.316
bonds (distance) P-C4' energy: -41.419
flat angles C4'-P-C4' energy: -47.029
flat angles P-C4'-P energy: -36.515
tors. eta vs tors. theta energy: -38.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -321.470053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.470053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.470053 (E_RNA)
where:
Base-Base interactions energy: -176.319
where: short stacking energy: -85.520
Base-Backbone interact. energy: -0.200
local terms energy: -144.950839
where:
bonds (distance) C4'-P energy: -44.074
bonds (distance) P-C4' energy: -41.201
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -23.627
tors. eta vs tors. theta energy: -11.749
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: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -980.516304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.516304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.516304 (E_RNA)
where:
Base-Base interactions energy: -686.230
where: short stacking energy: -284.869
Base-Backbone interact. energy: -0.913
local terms energy: -293.373154
where:
bonds (distance) C4'-P energy: -55.349
bonds (distance) P-C4' energy: -54.271
flat angles C4'-P-C4' energy: -59.323
flat angles P-C4'-P energy: -39.876
tors. eta vs tors. theta energy: -84.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -939.311466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.311466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.311466 (E_RNA)
where:
Base-Base interactions energy: -650.839
where: short stacking energy: -272.720
Base-Backbone interact. energy: 0.703
local terms energy: -289.175009
where:
bonds (distance) C4'-P energy: -50.637
bonds (distance) P-C4' energy: -53.838
flat angles C4'-P-C4' energy: -55.092
flat angles P-C4'-P energy: -46.757
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: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -901.951888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.951888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.951888 (E_RNA)
where:
Base-Base interactions energy: -643.144
where: short stacking energy: -267.088
Base-Backbone interact. energy: -0.709
local terms energy: -258.099213
where:
bonds (distance) C4'-P energy: -48.535
bonds (distance) P-C4' energy: -50.157
flat angles C4'-P-C4' energy: -54.323
flat angles P-C4'-P energy: -31.348
tors. eta vs tors. theta energy: -73.737
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: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -851.018942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.018942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.018942 (E_RNA)
where:
Base-Base interactions energy: -590.990
where: short stacking energy: -249.242
Base-Backbone interact. energy: -0.821
local terms energy: -259.207964
where:
bonds (distance) C4'-P energy: -42.175
bonds (distance) P-C4' energy: -46.705
flat angles C4'-P-C4' energy: -55.660
flat angles P-C4'-P energy: -39.262
tors. eta vs tors. theta energy: -75.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -871.441530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.441530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.441530 (E_RNA)
where:
Base-Base interactions energy: -627.022
where: short stacking energy: -256.168
Base-Backbone interact. energy: -1.476
local terms energy: -242.943252
where:
bonds (distance) C4'-P energy: -45.877
bonds (distance) P-C4' energy: -37.104
flat angles C4'-P-C4' energy: -60.158
flat angles P-C4'-P energy: -29.538
tors. eta vs tors. theta energy: -70.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -800.862955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.862955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.862955 (E_RNA)
where:
Base-Base interactions energy: -544.221
where: short stacking energy: -232.141
Base-Backbone interact. energy: -0.555
local terms energy: -256.086838
where:
bonds (distance) C4'-P energy: -47.376
bonds (distance) P-C4' energy: -52.760
flat angles C4'-P-C4' energy: -57.949
flat angles P-C4'-P energy: -28.140
tors. eta vs tors. theta energy: -69.862
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: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -770.499104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.499104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.499104 (E_RNA)
where:
Base-Base interactions energy: -519.294
where: short stacking energy: -222.406
Base-Backbone interact. energy: -0.169
local terms energy: -251.036046
where:
bonds (distance) C4'-P energy: -46.591
bonds (distance) P-C4' energy: -50.042
flat angles C4'-P-C4' energy: -48.720
flat angles P-C4'-P energy: -36.981
tors. eta vs tors. theta energy: -68.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -609.250772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.250772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.250772 (E_RNA)
where:
Base-Base interactions energy: -411.214
where: short stacking energy: -177.418
Base-Backbone interact. energy: 0.457
local terms energy: -198.493753
where:
bonds (distance) C4'-P energy: -45.557
bonds (distance) P-C4' energy: -33.981
flat angles C4'-P-C4' energy: -44.576
flat angles P-C4'-P energy: -32.241
tors. eta vs tors. theta energy: -42.138
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: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -630.022525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.022525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.022525 (E_RNA)
where:
Base-Base interactions energy: -409.102
where: short stacking energy: -180.855
Base-Backbone interact. energy: -1.227
local terms energy: -219.693651
where:
bonds (distance) C4'-P energy: -40.938
bonds (distance) P-C4' energy: -53.050
flat angles C4'-P-C4' energy: -51.489
flat angles P-C4'-P energy: -29.116
tors. eta vs tors. theta energy: -45.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -284.689874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.689874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.689874 (E_RNA)
where:
Base-Base interactions energy: -138.262
where: short stacking energy: -77.553
Base-Backbone interact. energy: 3.054
local terms energy: -149.482010
where:
bonds (distance) C4'-P energy: -47.250
bonds (distance) P-C4' energy: -35.565
flat angles C4'-P-C4' energy: -42.120
flat angles P-C4'-P energy: -16.431
tors. eta vs tors. theta energy: -8.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -991.005264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.005264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.005264 (E_RNA)
where:
Base-Base interactions energy: -695.011
where: short stacking energy: -290.433
Base-Backbone interact. energy: -0.985
local terms energy: -295.008505
where:
bonds (distance) C4'-P energy: -56.020
bonds (distance) P-C4' energy: -48.545
flat angles C4'-P-C4' energy: -56.394
flat angles P-C4'-P energy: -45.663
tors. eta vs tors. theta energy: -88.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -932.925078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.925078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.925078 (E_RNA)
where:
Base-Base interactions energy: -655.963
where: short stacking energy: -268.875
Base-Backbone interact. energy: -0.259
local terms energy: -276.703781
where:
bonds (distance) C4'-P energy: -43.804
bonds (distance) P-C4' energy: -51.374
flat angles C4'-P-C4' energy: -58.972
flat angles P-C4'-P energy: -42.449
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: 3, replica: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -918.437214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.437214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.437214 (E_RNA)
where:
Base-Base interactions energy: -635.617
where: short stacking energy: -276.101
Base-Backbone interact. energy: 0.526
local terms energy: -283.346175
where:
bonds (distance) C4'-P energy: -53.019
bonds (distance) P-C4' energy: -52.668
flat angles C4'-P-C4' energy: -57.053
flat angles P-C4'-P energy: -44.820
tors. eta vs tors. theta energy: -75.786
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: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -833.975215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.975215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.975215 (E_RNA)
where:
Base-Base interactions energy: -569.241
where: short stacking energy: -251.098
Base-Backbone interact. energy: 1.061
local terms energy: -265.794845
where:
bonds (distance) C4'-P energy: -55.649
bonds (distance) P-C4' energy: -48.917
flat angles C4'-P-C4' energy: -57.196
flat angles P-C4'-P energy: -38.638
tors. eta vs tors. theta energy: -65.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -806.248449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.248449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.248449 (E_RNA)
where:
Base-Base interactions energy: -565.192
where: short stacking energy: -233.299
Base-Backbone interact. energy: -0.321
local terms energy: -240.735375
where:
bonds (distance) C4'-P energy: -41.812
bonds (distance) P-C4' energy: -50.951
flat angles C4'-P-C4' energy: -57.727
flat angles P-C4'-P energy: -27.843
tors. eta vs tors. theta energy: -62.402
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: 4
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -852.887961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.887961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.887961 (E_RNA)
where:
Base-Base interactions energy: -600.172
where: short stacking energy: -231.480
Base-Backbone interact. energy: -1.687
local terms energy: -251.029564
where:
bonds (distance) C4'-P energy: -50.208
bonds (distance) P-C4' energy: -52.355
flat angles C4'-P-C4' energy: -57.238
flat angles P-C4'-P energy: -28.023
tors. eta vs tors. theta energy: -63.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -749.850166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.850166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.850166 (E_RNA)
where:
Base-Base interactions energy: -523.784
where: short stacking energy: -223.492
Base-Backbone interact. energy: 0.866
local terms energy: -226.931945
where:
bonds (distance) C4'-P energy: -40.650
bonds (distance) P-C4' energy: -47.441
flat angles C4'-P-C4' energy: -49.928
flat angles P-C4'-P energy: -36.352
tors. eta vs tors. theta energy: -52.561
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: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -627.139793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.139793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.139793 (E_RNA)
where:
Base-Base interactions energy: -415.119
where: short stacking energy: -182.815
Base-Backbone interact. energy: -0.406
local terms energy: -211.614167
where:
bonds (distance) C4'-P energy: -35.235
bonds (distance) P-C4' energy: -48.194
flat angles C4'-P-C4' energy: -44.952
flat angles P-C4'-P energy: -36.795
tors. eta vs tors. theta energy: -46.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -603.280302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.280302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.280302 (E_RNA)
where:
Base-Base interactions energy: -400.345
where: short stacking energy: -165.616
Base-Backbone interact. energy: -0.635
local terms energy: -202.300544
where:
bonds (distance) C4'-P energy: -44.337
bonds (distance) P-C4' energy: -47.175
flat angles C4'-P-C4' energy: -50.551
flat angles P-C4'-P energy: -24.164
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: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -342.618315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.618315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.618315 (E_RNA)
where:
Base-Base interactions energy: -178.973
where: short stacking energy: -83.061
Base-Backbone interact. energy: -0.308
local terms energy: -163.337385
where:
bonds (distance) C4'-P energy: -43.139
bonds (distance) P-C4' energy: -57.212
flat angles C4'-P-C4' energy: -35.970
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -12.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -987.189771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.189771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.189771 (E_RNA)
where:
Base-Base interactions energy: -672.918
where: short stacking energy: -299.859
Base-Backbone interact. energy: -1.057
local terms energy: -313.215169
where:
bonds (distance) C4'-P energy: -55.883
bonds (distance) P-C4' energy: -53.909
flat angles C4'-P-C4' energy: -66.512
flat angles P-C4'-P energy: -45.694
tors. eta vs tors. theta energy: -91.218
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: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -952.186469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.186469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.186469 (E_RNA)
where:
Base-Base interactions energy: -639.914
where: short stacking energy: -291.178
Base-Backbone interact. energy: -1.091
local terms energy: -311.181733
where:
bonds (distance) C4'-P energy: -55.328
bonds (distance) P-C4' energy: -55.287
flat angles C4'-P-C4' energy: -63.757
flat angles P-C4'-P energy: -43.862
tors. eta vs tors. theta energy: -92.947
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: 271
Temperature: 1.000000
Total energy: -937.388833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.388833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.388833 (E_RNA)
where:
Base-Base interactions energy: -645.478
where: short stacking energy: -290.207
Base-Backbone interact. energy: -1.570
local terms energy: -290.340715
where:
bonds (distance) C4'-P energy: -48.356
bonds (distance) P-C4' energy: -51.374
flat angles C4'-P-C4' energy: -59.712
flat angles P-C4'-P energy: -44.840
tors. eta vs tors. theta energy: -86.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -841.605941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.605941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.605941 (E_RNA)
where:
Base-Base interactions energy: -580.117
where: short stacking energy: -261.835
Base-Backbone interact. energy: -0.576
local terms energy: -260.913455
where:
bonds (distance) C4'-P energy: -53.362
bonds (distance) P-C4' energy: -43.905
flat angles C4'-P-C4' energy: -52.967
flat angles P-C4'-P energy: -41.896
tors. eta vs tors. theta energy: -68.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -794.759112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.759112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.759112 (E_RNA)
where:
Base-Base interactions energy: -543.262
where: short stacking energy: -228.858
Base-Backbone interact. energy: 0.133
local terms energy: -251.629369
where:
bonds (distance) C4'-P energy: -51.198
bonds (distance) P-C4' energy: -46.828
flat angles C4'-P-C4' energy: -49.553
flat angles P-C4'-P energy: -40.503
tors. eta vs tors. theta energy: -63.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -845.277745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.277745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.277745 (E_RNA)
where:
Base-Base interactions energy: -601.983
where: short stacking energy: -231.928
Base-Backbone interact. energy: -1.335
local terms energy: -241.959779
where:
bonds (distance) C4'-P energy: -41.248
bonds (distance) P-C4' energy: -50.361
flat angles C4'-P-C4' energy: -51.951
flat angles P-C4'-P energy: -36.460
tors. eta vs tors. theta energy: -61.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -745.045780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.045780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.045780 (E_RNA)
where:
Base-Base interactions energy: -520.910
where: short stacking energy: -213.188
Base-Backbone interact. energy: -1.412
local terms energy: -222.724248
where:
bonds (distance) C4'-P energy: -47.712
bonds (distance) P-C4' energy: -50.021
flat angles C4'-P-C4' energy: -46.052
flat angles P-C4'-P energy: -20.376
tors. eta vs tors. theta energy: -58.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -601.567946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.567946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.567946 (E_RNA)
where:
Base-Base interactions energy: -405.696
where: short stacking energy: -181.038
Base-Backbone interact. energy: 1.274
local terms energy: -197.145476
where:
bonds (distance) C4'-P energy: -38.017
bonds (distance) P-C4' energy: -41.750
flat angles C4'-P-C4' energy: -44.598
flat angles P-C4'-P energy: -36.132
tors. eta vs tors. theta energy: -36.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -559.660749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.660749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.660749 (E_RNA)
where:
Base-Base interactions energy: -379.353
where: short stacking energy: -160.044
Base-Backbone interact. energy: 0.475
local terms energy: -180.782465
where:
bonds (distance) C4'-P energy: -37.684
bonds (distance) P-C4' energy: -43.401
flat angles C4'-P-C4' energy: -39.709
flat angles P-C4'-P energy: -21.856
tors. eta vs tors. theta energy: -38.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -355.964696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.964696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.964696 (E_RNA)
where:
Base-Base interactions energy: -183.538
where: short stacking energy: -89.043
Base-Backbone interact. energy: -0.357
local terms energy: -172.069086
where:
bonds (distance) C4'-P energy: -50.400
bonds (distance) P-C4' energy: -48.944
flat angles C4'-P-C4' energy: -34.862
flat angles P-C4'-P energy: -26.297
tors. eta vs tors. theta energy: -11.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -962.177703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.177703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.177703 (E_RNA)
where:
Base-Base interactions energy: -655.922
where: short stacking energy: -291.181
Base-Backbone interact. energy: -1.275
local terms energy: -304.980975
where:
bonds (distance) C4'-P energy: -56.667
bonds (distance) P-C4' energy: -52.934
flat angles C4'-P-C4' energy: -62.011
flat angles P-C4'-P energy: -43.831
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: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -957.654499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.654499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.654499 (E_RNA)
where:
Base-Base interactions energy: -673.670
where: short stacking energy: -288.026
Base-Backbone interact. energy: -0.609
local terms energy: -283.375915
where:
bonds (distance) C4'-P energy: -46.441
bonds (distance) P-C4' energy: -52.197
flat angles C4'-P-C4' energy: -56.986
flat angles P-C4'-P energy: -40.933
tors. eta vs tors. theta energy: -86.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -918.307410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.307410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.307410 (E_RNA)
where:
Base-Base interactions energy: -640.137
where: short stacking energy: -271.420
Base-Backbone interact. energy: 0.586
local terms energy: -278.756527
where:
bonds (distance) C4'-P energy: -47.271
bonds (distance) P-C4' energy: -54.412
flat angles C4'-P-C4' energy: -58.013
flat angles P-C4'-P energy: -37.090
tors. eta vs tors. theta energy: -81.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -850.330146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.330146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.330146 (E_RNA)
where:
Base-Base interactions energy: -575.544
where: short stacking energy: -265.670
Base-Backbone interact. energy: 0.702
local terms energy: -275.488937
where:
bonds (distance) C4'-P energy: -48.319
bonds (distance) P-C4' energy: -53.879
flat angles C4'-P-C4' energy: -60.678
flat angles P-C4'-P energy: -41.076
tors. eta vs tors. theta energy: -71.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -833.178127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.178127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.178127 (E_RNA)
where:
Base-Base interactions energy: -616.983
where: short stacking energy: -243.388
Base-Backbone interact. energy: 1.290
local terms energy: -217.484760
where:
bonds (distance) C4'-P energy: -36.494
bonds (distance) P-C4' energy: -35.428
flat angles C4'-P-C4' energy: -54.609
flat angles P-C4'-P energy: -32.188
tors. eta vs tors. theta energy: -58.766
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: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -786.901850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.901850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.901850 (E_RNA)
where:
Base-Base interactions energy: -536.548
where: short stacking energy: -228.040
Base-Backbone interact. energy: -0.241
local terms energy: -250.113803
where:
bonds (distance) C4'-P energy: -34.947
bonds (distance) P-C4' energy: -53.320
flat angles C4'-P-C4' energy: -60.243
flat angles P-C4'-P energy: -38.781
tors. eta vs tors. theta energy: -62.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -753.613781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.613781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.613781 (E_RNA)
where:
Base-Base interactions energy: -516.189
where: short stacking energy: -216.088
Base-Backbone interact. energy: 0.909
local terms energy: -238.334144
where:
bonds (distance) C4'-P energy: -50.356
bonds (distance) P-C4' energy: -44.861
flat angles C4'-P-C4' energy: -47.420
flat angles P-C4'-P energy: -41.765
tors. eta vs tors. theta energy: -53.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -660.146599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.146599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.146599 (E_RNA)
where:
Base-Base interactions energy: -428.712
where: short stacking energy: -187.095
Base-Backbone interact. energy: -0.379
local terms energy: -231.054952
where:
bonds (distance) C4'-P energy: -48.756
bonds (distance) P-C4' energy: -52.845
flat angles C4'-P-C4' energy: -53.715
flat angles P-C4'-P energy: -33.655
tors. eta vs tors. theta energy: -42.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -548.782748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.782748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.782748 (E_RNA)
where:
Base-Base interactions energy: -372.925
where: short stacking energy: -157.966
Base-Backbone interact. energy: 0.157
local terms energy: -176.015240
where:
bonds (distance) C4'-P energy: -32.189
bonds (distance) P-C4' energy: -34.780
flat angles C4'-P-C4' energy: -42.224
flat angles P-C4'-P energy: -26.918
tors. eta vs tors. theta energy: -39.904
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: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -304.966067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.966067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.966067 (E_RNA)
where:
Base-Base interactions energy: -130.839
where: short stacking energy: -90.463
Base-Backbone interact. energy: 0.409
local terms energy: -174.535353
where:
bonds (distance) C4'-P energy: -42.649
bonds (distance) P-C4' energy: -55.321
flat angles C4'-P-C4' energy: -41.875
flat angles P-C4'-P energy: -28.384
tors. eta vs tors. theta energy: -6.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -957.672506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.672506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.672506 (E_RNA)
where:
Base-Base interactions energy: -668.436
where: short stacking energy: -284.829
Base-Backbone interact. energy: -0.980
local terms energy: -288.255894
where:
bonds (distance) C4'-P energy: -51.971
bonds (distance) P-C4' energy: -49.731
flat angles C4'-P-C4' energy: -55.540
flat angles P-C4'-P energy: -42.982
tors. eta vs tors. theta energy: -88.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -955.561367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.561367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.561367 (E_RNA)
where:
Base-Base interactions energy: -663.361
where: short stacking energy: -279.937
Base-Backbone interact. energy: -1.101
local terms energy: -291.099406
where:
bonds (distance) C4'-P energy: -51.304
bonds (distance) P-C4' energy: -52.828
flat angles C4'-P-C4' energy: -51.957
flat angles P-C4'-P energy: -43.676
tors. eta vs tors. theta energy: -91.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -909.308889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.308889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.308889 (E_RNA)
where:
Base-Base interactions energy: -627.498
where: short stacking energy: -256.653
Base-Backbone interact. energy: -2.320
local terms energy: -279.490491
where:
bonds (distance) C4'-P energy: -52.964
bonds (distance) P-C4' energy: -56.488
flat angles C4'-P-C4' energy: -50.259
flat angles P-C4'-P energy: -46.961
tors. eta vs tors. theta energy: -72.819
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: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -863.542069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.542069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.542069 (E_RNA)
where:
Base-Base interactions energy: -596.196
where: short stacking energy: -263.518
Base-Backbone interact. energy: -1.211
local terms energy: -266.134975
where:
bonds (distance) C4'-P energy: -53.652
bonds (distance) P-C4' energy: -51.024
flat angles C4'-P-C4' energy: -57.692
flat angles P-C4'-P energy: -26.737
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: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -871.837289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.837289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.837289 (E_RNA)
where:
Base-Base interactions energy: -612.211
where: short stacking energy: -243.990
Base-Backbone interact. energy: 0.403
local terms energy: -260.029373
where:
bonds (distance) C4'-P energy: -48.067
bonds (distance) P-C4' energy: -45.146
flat angles C4'-P-C4' energy: -53.051
flat angles P-C4'-P energy: -40.549
tors. eta vs tors. theta energy: -73.215
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: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -785.502347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.502347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.502347 (E_RNA)
where:
Base-Base interactions energy: -529.324
where: short stacking energy: -218.229
Base-Backbone interact. energy: -0.779
local terms energy: -255.398897
where:
bonds (distance) C4'-P energy: -47.120
bonds (distance) P-C4' energy: -51.857
flat angles C4'-P-C4' energy: -51.966
flat angles P-C4'-P energy: -41.558
tors. eta vs tors. theta energy: -62.898
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: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -747.695732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.695732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.695732 (E_RNA)
where:
Base-Base interactions energy: -505.250
where: short stacking energy: -204.104
Base-Backbone interact. energy: 0.458
local terms energy: -242.903573
where:
bonds (distance) C4'-P energy: -49.560
bonds (distance) P-C4' energy: -49.526
flat angles C4'-P-C4' energy: -51.986
flat angles P-C4'-P energy: -35.352
tors. eta vs tors. theta energy: -56.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -653.203130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.203130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.203130 (E_RNA)
where:
Base-Base interactions energy: -435.279
where: short stacking energy: -189.068
Base-Backbone interact. energy: -0.946
local terms energy: -216.978364
where:
bonds (distance) C4'-P energy: -45.794
bonds (distance) P-C4' energy: -48.375
flat angles C4'-P-C4' energy: -43.852
flat angles P-C4'-P energy: -32.272
tors. eta vs tors. theta energy: -46.685
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: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -537.419688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.419688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.419688 (E_RNA)
where:
Base-Base interactions energy: -352.092
where: short stacking energy: -132.829
Base-Backbone interact. energy: -3.899
local terms energy: -181.428341
where:
bonds (distance) C4'-P energy: -42.845
bonds (distance) P-C4' energy: -47.005
flat angles C4'-P-C4' energy: -48.002
flat angles P-C4'-P energy: -24.247
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -287.713323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.713323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.713323 (E_RNA)
where:
Base-Base interactions energy: -140.880
where: short stacking energy: -89.293
Base-Backbone interact. energy: 1.326
local terms energy: -148.159641
where:
bonds (distance) C4'-P energy: -49.321
bonds (distance) P-C4' energy: -38.260
flat angles C4'-P-C4' energy: -47.714
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -7.675
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: 9
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -971.637906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.637906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.637906 (E_RNA)
where:
Base-Base interactions energy: -672.868
where: short stacking energy: -282.590
Base-Backbone interact. energy: 0.734
local terms energy: -299.503851
where:
bonds (distance) C4'-P energy: -55.006
bonds (distance) P-C4' energy: -56.924
flat angles C4'-P-C4' energy: -56.822
flat angles P-C4'-P energy: -46.153
tors. eta vs tors. theta energy: -84.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -931.709982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.709982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.709982 (E_RNA)
where:
Base-Base interactions energy: -646.746
where: short stacking energy: -271.212
Base-Backbone interact. energy: -0.692
local terms energy: -284.272070
where:
bonds (distance) C4'-P energy: -50.277
bonds (distance) P-C4' energy: -51.863
flat angles C4'-P-C4' energy: -58.473
flat angles P-C4'-P energy: -42.658
tors. eta vs tors. theta energy: -81.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -922.348663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.348663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.348663 (E_RNA)
where:
Base-Base interactions energy: -651.277
where: short stacking energy: -277.905
Base-Backbone interact. energy: -0.966
local terms energy: -270.105201
where:
bonds (distance) C4'-P energy: -53.851
bonds (distance) P-C4' energy: -43.090
flat angles C4'-P-C4' energy: -55.893
flat angles P-C4'-P energy: -32.750
tors. eta vs tors. theta energy: -84.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -835.562561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.562561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.562561 (E_RNA)
where:
Base-Base interactions energy: -563.556
where: short stacking energy: -255.527
Base-Backbone interact. energy: -0.440
local terms energy: -271.566612
where:
bonds (distance) C4'-P energy: -49.703
bonds (distance) P-C4' energy: -47.050
flat angles C4'-P-C4' energy: -63.486
flat angles P-C4'-P energy: -37.720
tors. eta vs tors. theta energy: -73.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -860.759324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.759324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.759324 (E_RNA)
where:
Base-Base interactions energy: -610.352
where: short stacking energy: -236.220
Base-Backbone interact. energy: -1.178
local terms energy: -249.229032
where:
bonds (distance) C4'-P energy: -47.385
bonds (distance) P-C4' energy: -39.080
flat angles C4'-P-C4' energy: -56.122
flat angles P-C4'-P energy: -39.831
tors. eta vs tors. theta energy: -66.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -803.502358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.502358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.502358 (E_RNA)
where:
Base-Base interactions energy: -550.502
where: short stacking energy: -242.177
Base-Backbone interact. energy: -1.149
local terms energy: -251.851750
where:
bonds (distance) C4'-P energy: -43.297
bonds (distance) P-C4' energy: -45.957
flat angles C4'-P-C4' energy: -53.975
flat angles P-C4'-P energy: -36.142
tors. eta vs tors. theta energy: -72.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -771.293634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.293634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.293634 (E_RNA)
where:
Base-Base interactions energy: -517.556
where: short stacking energy: -231.212
Base-Backbone interact. energy: -0.673
local terms energy: -253.064792
where:
bonds (distance) C4'-P energy: -44.795
bonds (distance) P-C4' energy: -53.065
flat angles C4'-P-C4' energy: -56.194
flat angles P-C4'-P energy: -33.472
tors. eta vs tors. theta energy: -65.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -604.728396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.728396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.728396 (E_RNA)
where:
Base-Base interactions energy: -408.405
where: short stacking energy: -179.897
Base-Backbone interact. energy: -0.782
local terms energy: -195.541261
where:
bonds (distance) C4'-P energy: -41.883
bonds (distance) P-C4' energy: -45.636
flat angles C4'-P-C4' energy: -34.998
flat angles P-C4'-P energy: -27.872
tors. eta vs tors. theta energy: -45.152
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: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -557.121039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.121039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.121039 (E_RNA)
where:
Base-Base interactions energy: -362.419
where: short stacking energy: -157.027
Base-Backbone interact. energy: 0.207
local terms energy: -194.909354
where:
bonds (distance) C4'-P energy: -35.012
bonds (distance) P-C4' energy: -46.741
flat angles C4'-P-C4' energy: -49.635
flat angles P-C4'-P energy: -27.886
tors. eta vs tors. theta energy: -35.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -301.481001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.481001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.481001 (E_RNA)
where:
Base-Base interactions energy: -161.122
where: short stacking energy: -84.595
Base-Backbone interact. energy: 3.964
local terms energy: -144.322820
where:
bonds (distance) C4'-P energy: -33.451
bonds (distance) P-C4' energy: -53.637
flat angles C4'-P-C4' energy: -40.965
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: 0.254
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: 1, replica: 9
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -978.066108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.066108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.066108 (E_RNA)
where:
Base-Base interactions energy: -697.558
where: short stacking energy: -294.297
Base-Backbone interact. energy: 2.299
local terms energy: -282.807177
where:
bonds (distance) C4'-P energy: -43.221
bonds (distance) P-C4' energy: -58.178
flat angles C4'-P-C4' energy: -59.692
flat angles P-C4'-P energy: -37.590
tors. eta vs tors. theta energy: -84.125
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: 275
Temperature: 0.950000
Total energy: -948.645002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.645002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.645002 (E_RNA)
where:
Base-Base interactions energy: -650.238
where: short stacking energy: -279.612
Base-Backbone interact. energy: -1.836
local terms energy: -296.570528
where:
bonds (distance) C4'-P energy: -50.740
bonds (distance) P-C4' energy: -54.094
flat angles C4'-P-C4' energy: -60.103
flat angles P-C4'-P energy: -47.155
tors. eta vs tors. theta energy: -84.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -917.998953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.998953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.998953 (E_RNA)
where:
Base-Base interactions energy: -631.273
where: short stacking energy: -276.549
Base-Backbone interact. energy: -0.889
local terms energy: -285.836839
where:
bonds (distance) C4'-P energy: -43.785
bonds (distance) P-C4' energy: -57.465
flat angles C4'-P-C4' energy: -59.087
flat angles P-C4'-P energy: -43.363
tors. eta vs tors. theta energy: -82.136
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: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -909.781173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.781173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.781173 (E_RNA)
where:
Base-Base interactions energy: -650.335
where: short stacking energy: -261.064
Base-Backbone interact. energy: 0.216
local terms energy: -259.662673
where:
bonds (distance) C4'-P energy: -40.134
bonds (distance) P-C4' energy: -57.225
flat angles C4'-P-C4' energy: -55.880
flat angles P-C4'-P energy: -33.533
tors. eta vs tors. theta energy: -72.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -809.696758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.696758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.696758 (E_RNA)
where:
Base-Base interactions energy: -560.208
where: short stacking energy: -246.317
Base-Backbone interact. energy: -0.451
local terms energy: -249.037320
where:
bonds (distance) C4'-P energy: -36.674
bonds (distance) P-C4' energy: -50.345
flat angles C4'-P-C4' energy: -54.788
flat angles P-C4'-P energy: -37.539
tors. eta vs tors. theta energy: -69.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -800.627618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.627618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.627618 (E_RNA)
where:
Base-Base interactions energy: -559.540
where: short stacking energy: -235.792
Base-Backbone interact. energy: -0.291
local terms energy: -240.797280
where:
bonds (distance) C4'-P energy: -50.419
bonds (distance) P-C4' energy: -37.249
flat angles C4'-P-C4' energy: -54.127
flat angles P-C4'-P energy: -37.311
tors. eta vs tors. theta energy: -61.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -801.118458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.118458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.118458 (E_RNA)
where:
Base-Base interactions energy: -544.600
where: short stacking energy: -235.654
Base-Backbone interact. energy: -3.229
local terms energy: -253.289760
where:
bonds (distance) C4'-P energy: -50.091
bonds (distance) P-C4' energy: -45.400
flat angles C4'-P-C4' energy: -55.344
flat angles P-C4'-P energy: -32.599
tors. eta vs tors. theta energy: -69.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -620.276997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.276997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.276997 (E_RNA)
where:
Base-Base interactions energy: -412.914
where: short stacking energy: -183.619
Base-Backbone interact. energy: -1.128
local terms energy: -206.235306
where:
bonds (distance) C4'-P energy: -39.366
bonds (distance) P-C4' energy: -47.693
flat angles C4'-P-C4' energy: -39.014
flat angles P-C4'-P energy: -38.920
tors. eta vs tors. theta energy: -41.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -539.220682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.220682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.220682 (E_RNA)
where:
Base-Base interactions energy: -347.469
where: short stacking energy: -147.024
Base-Backbone interact. energy: 1.437
local terms energy: -193.188294
where:
bonds (distance) C4'-P energy: -42.406
bonds (distance) P-C4' energy: -47.418
flat angles C4'-P-C4' energy: -45.291
flat angles P-C4'-P energy: -22.587
tors. eta vs tors. theta energy: -35.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -313.072583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.072583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.072583 (E_RNA)
where:
Base-Base interactions energy: -174.554
where: short stacking energy: -110.188
Base-Backbone interact. energy: -0.364
local terms energy: -138.154901
where:
bonds (distance) C4'-P energy: -38.646
bonds (distance) P-C4' energy: -39.624
flat angles C4'-P-C4' energy: -39.502
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -11.334
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: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -977.953669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.953669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.953669 (E_RNA)
where:
Base-Base interactions energy: -676.908
where: short stacking energy: -286.477
Base-Backbone interact. energy: -2.216
local terms energy: -298.829784
where:
bonds (distance) C4'-P energy: -49.449
bonds (distance) P-C4' energy: -55.400
flat angles C4'-P-C4' energy: -64.322
flat angles P-C4'-P energy: -43.495
tors. eta vs tors. theta energy: -86.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -942.829910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.829910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.829910 (E_RNA)
where:
Base-Base interactions energy: -657.464
where: short stacking energy: -281.414
Base-Backbone interact. energy: -0.794
local terms energy: -284.571605
where:
bonds (distance) C4'-P energy: -49.466
bonds (distance) P-C4' energy: -52.996
flat angles C4'-P-C4' energy: -56.980
flat angles P-C4'-P energy: -42.732
tors. eta vs tors. theta energy: -82.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -910.902669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.902669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.902669 (E_RNA)
where:
Base-Base interactions energy: -642.659
where: short stacking energy: -273.788
Base-Backbone interact. energy: -0.444
local terms energy: -267.800571
where:
bonds (distance) C4'-P energy: -46.310
bonds (distance) P-C4' energy: -50.320
flat angles C4'-P-C4' energy: -53.331
flat angles P-C4'-P energy: -39.437
tors. eta vs tors. theta energy: -78.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -916.254855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.254855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.254855 (E_RNA)
where:
Base-Base interactions energy: -630.024
where: short stacking energy: -272.111
Base-Backbone interact. energy: -1.137
local terms energy: -285.094384
where:
bonds (distance) C4'-P energy: -46.117
bonds (distance) P-C4' energy: -52.775
flat angles C4'-P-C4' energy: -61.080
flat angles P-C4'-P energy: -41.747
tors. eta vs tors. theta energy: -83.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -820.208021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.208021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.208021 (E_RNA)
where:
Base-Base interactions energy: -547.328
where: short stacking energy: -244.704
Base-Backbone interact. energy: -0.239
local terms energy: -272.640701
where:
bonds (distance) C4'-P energy: -50.368
bonds (distance) P-C4' energy: -47.868
flat angles C4'-P-C4' energy: -56.086
flat angles P-C4'-P energy: -41.027
tors. eta vs tors. theta energy: -77.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -819.541224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.541224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.541224 (E_RNA)
where:
Base-Base interactions energy: -565.495
where: short stacking energy: -244.001
Base-Backbone interact. energy: 1.325
local terms energy: -255.370653
where:
bonds (distance) C4'-P energy: -41.997
bonds (distance) P-C4' energy: -52.052
flat angles C4'-P-C4' energy: -62.607
flat angles P-C4'-P energy: -29.448
tors. eta vs tors. theta energy: -69.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -788.363436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.363436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.363436 (E_RNA)
where:
Base-Base interactions energy: -536.074
where: short stacking energy: -217.651
Base-Backbone interact. energy: -1.196
local terms energy: -251.093643
where:
bonds (distance) C4'-P energy: -44.432
bonds (distance) P-C4' energy: -50.373
flat angles C4'-P-C4' energy: -52.361
flat angles P-C4'-P energy: -39.721
tors. eta vs tors. theta energy: -64.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -622.162124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.162124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.162124 (E_RNA)
where:
Base-Base interactions energy: -411.667
where: short stacking energy: -162.848
Base-Backbone interact. energy: 0.390
local terms energy: -210.884213
where:
bonds (distance) C4'-P energy: -43.726
bonds (distance) P-C4' energy: -55.305
flat angles C4'-P-C4' energy: -54.698
flat angles P-C4'-P energy: -26.928
tors. eta vs tors. theta energy: -30.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -496.626946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.626946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.626946 (E_RNA)
where:
Base-Base interactions energy: -324.247
where: short stacking energy: -130.698
Base-Backbone interact. energy: -0.454
local terms energy: -171.925548
where:
bonds (distance) C4'-P energy: -34.849
bonds (distance) P-C4' energy: -40.802
flat angles C4'-P-C4' energy: -49.098
flat angles P-C4'-P energy: -30.073
tors. eta vs tors. theta energy: -17.103
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: 8
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -310.162712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.162712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.162712 (E_RNA)
where:
Base-Base interactions energy: -146.747
where: short stacking energy: -83.905
Base-Backbone interact. energy: -1.449
local terms energy: -161.966057
where:
bonds (distance) C4'-P energy: -45.512
bonds (distance) P-C4' energy: -38.394
flat angles C4'-P-C4' energy: -38.772
flat angles P-C4'-P energy: -32.700
tors. eta vs tors. theta energy: -6.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -986.996019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.996019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.996019 (E_RNA)
where:
Base-Base interactions energy: -688.122
where: short stacking energy: -300.229
Base-Backbone interact. energy: -0.932
local terms energy: -297.941973
where:
bonds (distance) C4'-P energy: -49.612
bonds (distance) P-C4' energy: -54.237
flat angles C4'-P-C4' energy: -62.942
flat angles P-C4'-P energy: -45.893
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: 2, replica: 4
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -932.079152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.079152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.079152 (E_RNA)
where:
Base-Base interactions energy: -654.471
where: short stacking energy: -271.915
Base-Backbone interact. energy: -1.852
local terms energy: -275.755530
where:
bonds (distance) C4'-P energy: -49.206
bonds (distance) P-C4' energy: -49.898
flat angles C4'-P-C4' energy: -55.218
flat angles P-C4'-P energy: -42.736
tors. eta vs tors. theta energy: -78.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -900.262237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.262237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.262237 (E_RNA)
where:
Base-Base interactions energy: -619.425
where: short stacking energy: -257.789
Base-Backbone interact. energy: -0.594
local terms energy: -280.242706
where:
bonds (distance) C4'-P energy: -45.577
bonds (distance) P-C4' energy: -55.619
flat angles C4'-P-C4' energy: -53.637
flat angles P-C4'-P energy: -46.154
tors. eta vs tors. theta energy: -79.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -923.751579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.751579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.751579 (E_RNA)
where:
Base-Base interactions energy: -650.227
where: short stacking energy: -287.948
Base-Backbone interact. energy: -0.927
local terms energy: -272.597378
where:
bonds (distance) C4'-P energy: -48.489
bonds (distance) P-C4' energy: -42.614
flat angles C4'-P-C4' energy: -60.058
flat angles P-C4'-P energy: -36.868
tors. eta vs tors. theta energy: -84.568
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: 7
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -823.498274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.498274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.498274 (E_RNA)
where:
Base-Base interactions energy: -564.749
where: short stacking energy: -245.548
Base-Backbone interact. energy: 3.086
local terms energy: -261.835181
where:
bonds (distance) C4'-P energy: -44.347
bonds (distance) P-C4' energy: -47.244
flat angles C4'-P-C4' energy: -61.381
flat angles P-C4'-P energy: -40.324
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: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -814.601666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.601666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.601666 (E_RNA)
where:
Base-Base interactions energy: -558.520
where: short stacking energy: -244.184
Base-Backbone interact. energy: 0.288
local terms energy: -256.369531
where:
bonds (distance) C4'-P energy: -47.512
bonds (distance) P-C4' energy: -46.460
flat angles C4'-P-C4' energy: -56.015
flat angles P-C4'-P energy: -31.050
tors. eta vs tors. theta energy: -75.333
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: 3
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -766.247977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.247977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.247977 (E_RNA)
where:
Base-Base interactions energy: -525.542
where: short stacking energy: -227.299
Base-Backbone interact. energy: 0.971
local terms energy: -241.677121
where:
bonds (distance) C4'-P energy: -43.860
bonds (distance) P-C4' energy: -49.697
flat angles C4'-P-C4' energy: -52.541
flat angles P-C4'-P energy: -35.550
tors. eta vs tors. theta energy: -60.028
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: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -596.447059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.447059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.447059 (E_RNA)
where:
Base-Base interactions energy: -383.632
where: short stacking energy: -166.089
Base-Backbone interact. energy: 0.574
local terms energy: -213.389110
where:
bonds (distance) C4'-P energy: -43.313
bonds (distance) P-C4' energy: -42.807
flat angles C4'-P-C4' energy: -52.108
flat angles P-C4'-P energy: -28.301
tors. eta vs tors. theta energy: -46.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -463.112210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.112210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.112210 (E_RNA)
where:
Base-Base interactions energy: -289.988
where: short stacking energy: -130.976
Base-Backbone interact. energy: -0.533
local terms energy: -172.591754
where:
bonds (distance) C4'-P energy: -38.778
bonds (distance) P-C4' energy: -43.388
flat angles C4'-P-C4' energy: -49.379
flat angles P-C4'-P energy: -25.044
tors. eta vs tors. theta energy: -16.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -258.006970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.006970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.006970 (E_RNA)
where:
Base-Base interactions energy: -96.466
where: short stacking energy: -66.607
Base-Backbone interact. energy: -0.998
local terms energy: -160.543617
where:
bonds (distance) C4'-P energy: -40.650
bonds (distance) P-C4' energy: -43.275
flat angles C4'-P-C4' energy: -43.133
flat angles P-C4'-P energy: -30.912
tors. eta vs tors. theta energy: -2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -986.942229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.942229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.942229 (E_RNA)
where:
Base-Base interactions energy: -678.353
where: short stacking energy: -299.020
Base-Backbone interact. energy: -0.814
local terms energy: -307.774756
where:
bonds (distance) C4'-P energy: -51.112
bonds (distance) P-C4' energy: -57.789
flat angles C4'-P-C4' energy: -61.493
flat angles P-C4'-P energy: -48.475
tors. eta vs tors. theta energy: -88.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -959.610849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.610849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.610849 (E_RNA)
where:
Base-Base interactions energy: -668.754
where: short stacking energy: -273.383
Base-Backbone interact. energy: 1.900
local terms energy: -292.756915
where:
bonds (distance) C4'-P energy: -57.579
bonds (distance) P-C4' energy: -52.863
flat angles C4'-P-C4' energy: -56.821
flat angles P-C4'-P energy: -45.215
tors. eta vs tors. theta energy: -80.279
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: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -911.050197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.050197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.050197 (E_RNA)
where:
Base-Base interactions energy: -655.838
where: short stacking energy: -250.894
Base-Backbone interact. energy: -1.241
local terms energy: -253.971529
where:
bonds (distance) C4'-P energy: -50.491
bonds (distance) P-C4' energy: -38.717
flat angles C4'-P-C4' energy: -54.420
flat angles P-C4'-P energy: -38.213
tors. eta vs tors. theta energy: -72.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -871.866402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.866402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.866402 (E_RNA)
where:
Base-Base interactions energy: -600.162
where: short stacking energy: -248.853
Base-Backbone interact. energy: 0.575
local terms energy: -272.278956
where:
bonds (distance) C4'-P energy: -48.688
bonds (distance) P-C4' energy: -55.974
flat angles C4'-P-C4' energy: -62.034
flat angles P-C4'-P energy: -35.690
tors. eta vs tors. theta energy: -69.893
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: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -812.930479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.930479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.930479 (E_RNA)
where:
Base-Base interactions energy: -574.079
where: short stacking energy: -233.558
Base-Backbone interact. energy: 2.585
local terms energy: -241.436869
where:
bonds (distance) C4'-P energy: -45.611
bonds (distance) P-C4' energy: -55.769
flat angles C4'-P-C4' energy: -55.759
flat angles P-C4'-P energy: -26.022
tors. eta vs tors. theta energy: -58.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -799.855924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.855924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.855924 (E_RNA)
where:
Base-Base interactions energy: -559.881
where: short stacking energy: -243.045
Base-Backbone interact. energy: 0.182
local terms energy: -240.156695
where:
bonds (distance) C4'-P energy: -47.262
bonds (distance) P-C4' energy: -41.083
flat angles C4'-P-C4' energy: -56.289
flat angles P-C4'-P energy: -28.480
tors. eta vs tors. theta energy: -67.041
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: 3
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -761.101836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.101836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.101836 (E_RNA)
where:
Base-Base interactions energy: -540.249
where: short stacking energy: -239.251
Base-Backbone interact. energy: -0.986
local terms energy: -219.867160
where:
bonds (distance) C4'-P energy: -35.360
bonds (distance) P-C4' energy: -35.799
flat angles C4'-P-C4' energy: -49.628
flat angles P-C4'-P energy: -32.875
tors. eta vs tors. theta energy: -66.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -627.516438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.516438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.516438 (E_RNA)
where:
Base-Base interactions energy: -426.517
where: short stacking energy: -179.195
Base-Backbone interact. energy: -0.615
local terms energy: -200.384490
where:
bonds (distance) C4'-P energy: -43.778
bonds (distance) P-C4' energy: -37.998
flat angles C4'-P-C4' energy: -48.054
flat angles P-C4'-P energy: -26.494
tors. eta vs tors. theta energy: -44.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -512.283271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.283271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.283271 (E_RNA)
where:
Base-Base interactions energy: -315.174
where: short stacking energy: -165.690
Base-Backbone interact. energy: 1.161
local terms energy: -198.270279
where:
bonds (distance) C4'-P energy: -41.008
bonds (distance) P-C4' energy: -45.935
flat angles C4'-P-C4' energy: -43.364
flat angles P-C4'-P energy: -28.811
tors. eta vs tors. theta energy: -39.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -250.891460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.891460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.891460 (E_RNA)
where:
Base-Base interactions energy: -112.075
where: short stacking energy: -69.802
Base-Backbone interact. energy: -1.678
local terms energy: -137.138207
where:
bonds (distance) C4'-P energy: -39.512
bonds (distance) P-C4' energy: -42.427
flat angles C4'-P-C4' energy: -40.458
flat angles P-C4'-P energy: -23.477
tors. eta vs tors. theta energy: 8.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -975.640764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.640764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.640764 (E_RNA)
where:
Base-Base interactions energy: -675.714
where: short stacking energy: -287.337
Base-Backbone interact. energy: -0.721
local terms energy: -299.206412
where:
bonds (distance) C4'-P energy: -53.634
bonds (distance) P-C4' energy: -56.025
flat angles C4'-P-C4' energy: -57.929
flat angles P-C4'-P energy: -41.198
tors. eta vs tors. theta energy: -90.421
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: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -939.566206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.566206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.566206 (E_RNA)
where:
Base-Base interactions energy: -657.855
where: short stacking energy: -272.386
Base-Backbone interact. energy: -0.472
local terms energy: -281.238442
where:
bonds (distance) C4'-P energy: -52.975
bonds (distance) P-C4' energy: -44.415
flat angles C4'-P-C4' energy: -61.442
flat angles P-C4'-P energy: -42.139
tors. eta vs tors. theta energy: -80.267
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: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -915.431896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.431896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.431896 (E_RNA)
where:
Base-Base interactions energy: -649.128
where: short stacking energy: -275.067
Base-Backbone interact. energy: -0.780
local terms energy: -265.523999
where:
bonds (distance) C4'-P energy: -49.614
bonds (distance) P-C4' energy: -43.091
flat angles C4'-P-C4' energy: -49.522
flat angles P-C4'-P energy: -42.013
tors. eta vs tors. theta energy: -81.284
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: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -874.475605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.475605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.475605 (E_RNA)
where:
Base-Base interactions energy: -599.267
where: short stacking energy: -251.980
Base-Backbone interact. energy: -1.555
local terms energy: -273.653582
where:
bonds (distance) C4'-P energy: -46.218
bonds (distance) P-C4' energy: -49.843
flat angles C4'-P-C4' energy: -59.188
flat angles P-C4'-P energy: -43.401
tors. eta vs tors. theta energy: -75.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -811.616362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.616362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.616362 (E_RNA)
where:
Base-Base interactions energy: -553.340
where: short stacking energy: -228.899
Base-Backbone interact. energy: -1.209
local terms energy: -257.067049
where:
bonds (distance) C4'-P energy: -55.443
bonds (distance) P-C4' energy: -45.089
flat angles C4'-P-C4' energy: -50.566
flat angles P-C4'-P energy: -38.449
tors. eta vs tors. theta energy: -67.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -782.573598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.573598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.573598 (E_RNA)
where:
Base-Base interactions energy: -549.046
where: short stacking energy: -227.288
Base-Backbone interact. energy: 1.987
local terms energy: -235.514893
where:
bonds (distance) C4'-P energy: -42.721
bonds (distance) P-C4' energy: -42.145
flat angles C4'-P-C4' energy: -49.018
flat angles P-C4'-P energy: -36.449
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: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -813.818780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.818780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.818780 (E_RNA)
where:
Base-Base interactions energy: -557.151
where: short stacking energy: -234.396
Base-Backbone interact. energy: 0.379
local terms energy: -257.046679
where:
bonds (distance) C4'-P energy: -41.621
bonds (distance) P-C4' energy: -53.955
flat angles C4'-P-C4' energy: -53.861
flat angles P-C4'-P energy: -37.064
tors. eta vs tors. theta energy: -70.545
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: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -511.400226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.400226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.400226 (E_RNA)
where:
Base-Base interactions energy: -307.081
where: short stacking energy: -136.763
Base-Backbone interact. energy: 0.136
local terms energy: -204.455849
where:
bonds (distance) C4'-P energy: -42.193
bonds (distance) P-C4' energy: -55.340
flat angles C4'-P-C4' energy: -53.554
flat angles P-C4'-P energy: -26.784
tors. eta vs tors. theta energy: -26.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -651.075893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.075893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.075893 (E_RNA)
where:
Base-Base interactions energy: -439.518
where: short stacking energy: -179.577
Base-Backbone interact. energy: 2.249
local terms energy: -213.806749
where:
bonds (distance) C4'-P energy: -46.391
bonds (distance) P-C4' energy: -46.925
flat angles C4'-P-C4' energy: -49.702
flat angles P-C4'-P energy: -18.563
tors. eta vs tors. theta energy: -52.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -248.245550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.245550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.245550 (E_RNA)
where:
Base-Base interactions energy: -104.014
where: short stacking energy: -67.367
Base-Backbone interact. energy: -1.206
local terms energy: -143.025199
where:
bonds (distance) C4'-P energy: -48.692
bonds (distance) P-C4' energy: -47.793
flat angles C4'-P-C4' energy: -34.033
flat angles P-C4'-P energy: -18.783
tors. eta vs tors. theta energy: 6.275
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: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -955.246127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.246127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.246127 (E_RNA)
where:
Base-Base interactions energy: -668.826
where: short stacking energy: -271.275
Base-Backbone interact. energy: -0.910
local terms energy: -285.509745
where:
bonds (distance) C4'-P energy: -55.143
bonds (distance) P-C4' energy: -56.917
flat angles C4'-P-C4' energy: -61.376
flat angles P-C4'-P energy: -44.039
tors. eta vs tors. theta energy: -68.035
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: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -949.369032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.369032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.369032 (E_RNA)
where:
Base-Base interactions energy: -663.971
where: short stacking energy: -283.339
Base-Backbone interact. energy: -1.513
local terms energy: -283.884453
where:
bonds (distance) C4'-P energy: -57.334
bonds (distance) P-C4' energy: -45.450
flat angles C4'-P-C4' energy: -52.335
flat angles P-C4'-P energy: -43.976
tors. eta vs tors. theta energy: -84.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -920.780626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.780626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.780626 (E_RNA)
where:
Base-Base interactions energy: -644.940
where: short stacking energy: -290.240
Base-Backbone interact. energy: -0.520
local terms energy: -275.320701
where:
bonds (distance) C4'-P energy: -47.013
bonds (distance) P-C4' energy: -53.787
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -37.378
tors. eta vs tors. theta energy: -84.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -889.205232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.205232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.205232 (E_RNA)
where:
Base-Base interactions energy: -623.848
where: short stacking energy: -274.532
Base-Backbone interact. energy: -1.395
local terms energy: -263.961668
where:
bonds (distance) C4'-P energy: -39.724
bonds (distance) P-C4' energy: -53.766
flat angles C4'-P-C4' energy: -54.013
flat angles P-C4'-P energy: -37.214
tors. eta vs tors. theta energy: -79.245
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: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -790.764371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.764371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.764371 (E_RNA)
where:
Base-Base interactions energy: -548.119
where: short stacking energy: -235.582
Base-Backbone interact. energy: -0.008
local terms energy: -242.637981
where:
bonds (distance) C4'-P energy: -51.813
bonds (distance) P-C4' energy: -49.199
flat angles C4'-P-C4' energy: -47.256
flat angles P-C4'-P energy: -30.750
tors. eta vs tors. theta energy: -63.620
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: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -809.935564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.935564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.935564 (E_RNA)
where:
Base-Base interactions energy: -571.827
where: short stacking energy: -234.289
Base-Backbone interact. energy: -1.177
local terms energy: -236.931010
where:
bonds (distance) C4'-P energy: -43.825
bonds (distance) P-C4' energy: -45.457
flat angles C4'-P-C4' energy: -56.279
flat angles P-C4'-P energy: -35.786
tors. eta vs tors. theta energy: -55.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -763.789896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.789896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.789896 (E_RNA)
where:
Base-Base interactions energy: -524.719
where: short stacking energy: -213.568
Base-Backbone interact. energy: -0.063
local terms energy: -239.008020
where:
bonds (distance) C4'-P energy: -50.003
bonds (distance) P-C4' energy: -51.647
flat angles C4'-P-C4' energy: -43.585
flat angles P-C4'-P energy: -29.659
tors. eta vs tors. theta energy: -64.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -504.876474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.876474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.876474 (E_RNA)
where:
Base-Base interactions energy: -323.238
where: short stacking energy: -137.446
Base-Backbone interact. energy: 0.423
local terms energy: -182.061852
where:
bonds (distance) C4'-P energy: -40.199
bonds (distance) P-C4' energy: -53.721
flat angles C4'-P-C4' energy: -42.305
flat angles P-C4'-P energy: -28.176
tors. eta vs tors. theta energy: -17.661
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: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -612.823834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.823834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.823834 (E_RNA)
where:
Base-Base interactions energy: -411.134
where: short stacking energy: -185.013
Base-Backbone interact. energy: -0.415
local terms energy: -201.274749
where:
bonds (distance) C4'-P energy: -37.012
bonds (distance) P-C4' energy: -42.324
flat angles C4'-P-C4' energy: -47.413
flat angles P-C4'-P energy: -23.600
tors. eta vs tors. theta energy: -50.925
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: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -251.003432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.003432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.003432 (E_RNA)
where:
Base-Base interactions energy: -92.444
where: short stacking energy: -81.921
Base-Backbone interact. energy: -1.813
local terms energy: -156.745588
where:
bonds (distance) C4'-P energy: -47.168
bonds (distance) P-C4' energy: -48.539
flat angles C4'-P-C4' energy: -31.184
flat angles P-C4'-P energy: -25.616
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -948.233394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.233394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.233394 (E_RNA)
where:
Base-Base interactions energy: -681.887
where: short stacking energy: -273.784
Base-Backbone interact. energy: -1.316
local terms energy: -265.030189
where:
bonds (distance) C4'-P energy: -40.451
bonds (distance) P-C4' energy: -52.844
flat angles C4'-P-C4' energy: -54.343
flat angles P-C4'-P energy: -44.869
tors. eta vs tors. theta energy: -72.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -949.055375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.055375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.055375 (E_RNA)
where:
Base-Base interactions energy: -651.847
where: short stacking energy: -287.207
Base-Backbone interact. energy: -0.968
local terms energy: -296.240535
where:
bonds (distance) C4'-P energy: -51.435
bonds (distance) P-C4' energy: -54.115
flat angles C4'-P-C4' energy: -60.793
flat angles P-C4'-P energy: -45.867
tors. eta vs tors. theta energy: -84.030
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: 3, replica: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -912.521264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.521264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.521264 (E_RNA)
where:
Base-Base interactions energy: -650.470
where: short stacking energy: -273.994
Base-Backbone interact. energy: 1.625
local terms energy: -263.675885
where:
bonds (distance) C4'-P energy: -40.460
bonds (distance) P-C4' energy: -47.399
flat angles C4'-P-C4' energy: -54.347
flat angles P-C4'-P energy: -42.524
tors. eta vs tors. theta energy: -78.946
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: 1
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -862.767952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.767952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.767952 (E_RNA)
where:
Base-Base interactions energy: -604.518
where: short stacking energy: -261.364
Base-Backbone interact. energy: 1.162
local terms energy: -259.412063
where:
bonds (distance) C4'-P energy: -46.326
bonds (distance) P-C4' energy: -39.765
flat angles C4'-P-C4' energy: -58.077
flat angles P-C4'-P energy: -41.480
tors. eta vs tors. theta energy: -73.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -825.577556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.577556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.577556 (E_RNA)
where:
Base-Base interactions energy: -570.287
where: short stacking energy: -251.747
Base-Backbone interact. energy: -1.875
local terms energy: -253.415570
where:
bonds (distance) C4'-P energy: -45.759
bonds (distance) P-C4' energy: -45.332
flat angles C4'-P-C4' energy: -52.805
flat angles P-C4'-P energy: -35.787
tors. eta vs tors. theta energy: -73.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -815.206476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.206476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.206476 (E_RNA)
where:
Base-Base interactions energy: -574.970
where: short stacking energy: -252.721
Base-Backbone interact. energy: 1.021
local terms energy: -241.257984
where:
bonds (distance) C4'-P energy: -43.157
bonds (distance) P-C4' energy: -50.103
flat angles C4'-P-C4' energy: -45.882
flat angles P-C4'-P energy: -32.573
tors. eta vs tors. theta energy: -69.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -793.580880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.580880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.580880 (E_RNA)
where:
Base-Base interactions energy: -540.638
where: short stacking energy: -221.701
Base-Backbone interact. energy: -0.410
local terms energy: -252.533432
where:
bonds (distance) C4'-P energy: -54.520
bonds (distance) P-C4' energy: -54.833
flat angles C4'-P-C4' energy: -46.537
flat angles P-C4'-P energy: -30.374
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: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -656.597029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.597029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.597029 (E_RNA)
where:
Base-Base interactions energy: -440.925
where: short stacking energy: -194.124
Base-Backbone interact. energy: 3.604
local terms energy: -219.276333
where:
bonds (distance) C4'-P energy: -42.554
bonds (distance) P-C4' energy: -43.651
flat angles C4'-P-C4' energy: -52.097
flat angles P-C4'-P energy: -37.018
tors. eta vs tors. theta energy: -43.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -460.695397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.695397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.695397 (E_RNA)
where:
Base-Base interactions energy: -280.654
where: short stacking energy: -129.953
Base-Backbone interact. energy: -1.607
local terms energy: -178.434503
where:
bonds (distance) C4'-P energy: -39.122
bonds (distance) P-C4' energy: -47.898
flat angles C4'-P-C4' energy: -46.058
flat angles P-C4'-P energy: -26.577
tors. eta vs tors. theta energy: -18.780
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: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -211.370914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.370914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.370914 (E_RNA)
where:
Base-Base interactions energy: -72.596
where: short stacking energy: -64.163
Base-Backbone interact. energy: -1.891
local terms energy: -136.883440
where:
bonds (distance) C4'-P energy: -44.018
bonds (distance) P-C4' energy: -44.948
flat angles C4'-P-C4' energy: -31.418
flat angles P-C4'-P energy: -18.674
tors. eta vs tors. theta energy: 2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -948.498783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.498783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.498783 (E_RNA)
where:
Base-Base interactions energy: -662.867
where: short stacking energy: -286.570
Base-Backbone interact. energy: -0.094
local terms energy: -285.538271
where:
bonds (distance) C4'-P energy: -45.144
bonds (distance) P-C4' energy: -54.214
flat angles C4'-P-C4' energy: -67.001
flat angles P-C4'-P energy: -34.379
tors. eta vs tors. theta energy: -84.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -938.896027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.896027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.896027 (E_RNA)
where:
Base-Base interactions energy: -654.916
where: short stacking energy: -273.169
Base-Backbone interact. energy: -0.036
local terms energy: -283.944397
where:
bonds (distance) C4'-P energy: -53.765
bonds (distance) P-C4' energy: -51.707
flat angles C4'-P-C4' energy: -60.146
flat angles P-C4'-P energy: -40.089
tors. eta vs tors. theta energy: -78.237
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: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -880.862144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.862144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.862144 (E_RNA)
where:
Base-Base interactions energy: -607.717
where: short stacking energy: -265.831
Base-Backbone interact. energy: -0.978
local terms energy: -272.167408
where:
bonds (distance) C4'-P energy: -51.677
bonds (distance) P-C4' energy: -45.931
flat angles C4'-P-C4' energy: -62.706
flat angles P-C4'-P energy: -35.430
tors. eta vs tors. theta energy: -76.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -867.781434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.781434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.781434 (E_RNA)
where:
Base-Base interactions energy: -612.259
where: short stacking energy: -268.303
Base-Backbone interact. energy: 0.076
local terms energy: -255.597936
where:
bonds (distance) C4'-P energy: -43.074
bonds (distance) P-C4' energy: -43.293
flat angles C4'-P-C4' energy: -55.752
flat angles P-C4'-P energy: -32.204
tors. eta vs tors. theta energy: -81.275
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: 7
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -830.361513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.361513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.361513 (E_RNA)
where:
Base-Base interactions energy: -562.870
where: short stacking energy: -256.668
Base-Backbone interact. energy: -1.438
local terms energy: -266.053787
where:
bonds (distance) C4'-P energy: -48.064
bonds (distance) P-C4' energy: -40.569
flat angles C4'-P-C4' energy: -59.690
flat angles P-C4'-P energy: -41.855
tors. eta vs tors. theta energy: -75.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -789.989553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.989553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.989553 (E_RNA)
where:
Base-Base interactions energy: -538.946
where: short stacking energy: -229.949
Base-Backbone interact. energy: -0.583
local terms energy: -250.460522
where:
bonds (distance) C4'-P energy: -53.590
bonds (distance) P-C4' energy: -50.733
flat angles C4'-P-C4' energy: -49.838
flat angles P-C4'-P energy: -29.620
tors. eta vs tors. theta energy: -66.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -779.526958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.526958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.526958 (E_RNA)
where:
Base-Base interactions energy: -548.968
where: short stacking energy: -234.115
Base-Backbone interact. energy: -0.825
local terms energy: -229.734058
where:
bonds (distance) C4'-P energy: -38.180
bonds (distance) P-C4' energy: -44.764
flat angles C4'-P-C4' energy: -54.979
flat angles P-C4'-P energy: -28.228
tors. eta vs tors. theta energy: -63.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -662.027716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.027716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.027716 (E_RNA)
where:
Base-Base interactions energy: -447.248
where: short stacking energy: -177.407
Base-Backbone interact. energy: -3.282
local terms energy: -211.497872
where:
bonds (distance) C4'-P energy: -40.616
bonds (distance) P-C4' energy: -42.800
flat angles C4'-P-C4' energy: -46.487
flat angles P-C4'-P energy: -36.878
tors. eta vs tors. theta energy: -44.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -458.440111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.440111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.440111 (E_RNA)
where:
Base-Base interactions energy: -283.841
where: short stacking energy: -134.173
Base-Backbone interact. energy: -0.595
local terms energy: -174.004060
where:
bonds (distance) C4'-P energy: -45.554
bonds (distance) P-C4' energy: -52.455
flat angles C4'-P-C4' energy: -38.202
flat angles P-C4'-P energy: -23.543
tors. eta vs tors. theta energy: -14.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -231.115212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.115212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.115212 (E_RNA)
where:
Base-Base interactions energy: -78.313
where: short stacking energy: -72.477
Base-Backbone interact. energy: 1.699
local terms energy: -154.501536
where:
bonds (distance) C4'-P energy: -41.768
bonds (distance) P-C4' energy: -50.580
flat angles C4'-P-C4' energy: -40.644
flat angles P-C4'-P energy: -29.941
tors. eta vs tors. theta energy: 8.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -967.990888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.990888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.990888 (E_RNA)
where:
Base-Base interactions energy: -670.360
where: short stacking energy: -292.255
Base-Backbone interact. energy: 1.867
local terms energy: -299.498330
where:
bonds (distance) C4'-P energy: -51.765
bonds (distance) P-C4' energy: -58.809
flat angles C4'-P-C4' energy: -59.828
flat angles P-C4'-P energy: -41.695
tors. eta vs tors. theta energy: -87.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -956.057976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.057976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.057976 (E_RNA)
where:
Base-Base interactions energy: -673.451
where: short stacking energy: -278.854
Base-Backbone interact. energy: 4.374
local terms energy: -286.981349
where:
bonds (distance) C4'-P energy: -53.531
bonds (distance) P-C4' energy: -57.958
flat angles C4'-P-C4' energy: -63.291
flat angles P-C4'-P energy: -36.219
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: 3, replica: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -904.805897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.805897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.805897 (E_RNA)
where:
Base-Base interactions energy: -636.004
where: short stacking energy: -257.768
Base-Backbone interact. energy: 0.431
local terms energy: -269.233343
where:
bonds (distance) C4'-P energy: -55.899
bonds (distance) P-C4' energy: -42.341
flat angles C4'-P-C4' energy: -53.863
flat angles P-C4'-P energy: -42.745
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: 4, replica: 7
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -862.170896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.170896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.170896 (E_RNA)
where:
Base-Base interactions energy: -607.517
where: short stacking energy: -265.678
Base-Backbone interact. energy: -1.544
local terms energy: -253.109756
where:
bonds (distance) C4'-P energy: -40.208
bonds (distance) P-C4' energy: -42.722
flat angles C4'-P-C4' energy: -55.035
flat angles P-C4'-P energy: -37.902
tors. eta vs tors. theta energy: -77.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -819.024384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.024384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.024384 (E_RNA)
where:
Base-Base interactions energy: -566.308
where: short stacking energy: -248.348
Base-Backbone interact. energy: -0.279
local terms energy: -252.437712
where:
bonds (distance) C4'-P energy: -31.644
bonds (distance) P-C4' energy: -49.608
flat angles C4'-P-C4' energy: -54.976
flat angles P-C4'-P energy: -42.343
tors. eta vs tors. theta energy: -73.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -820.466658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.466658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.466658 (E_RNA)
where:
Base-Base interactions energy: -566.459
where: short stacking energy: -231.572
Base-Backbone interact. energy: 1.488
local terms energy: -255.495049
where:
bonds (distance) C4'-P energy: -47.372
bonds (distance) P-C4' energy: -52.805
flat angles C4'-P-C4' energy: -51.891
flat angles P-C4'-P energy: -39.662
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: 7, replica: 5
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -776.367409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.367409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.367409 (E_RNA)
where:
Base-Base interactions energy: -535.552
where: short stacking energy: -240.648
Base-Backbone interact. energy: -0.713
local terms energy: -240.102936
where:
bonds (distance) C4'-P energy: -46.763
bonds (distance) P-C4' energy: -47.989
flat angles C4'-P-C4' energy: -48.322
flat angles P-C4'-P energy: -30.832
tors. eta vs tors. theta energy: -66.197
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: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -666.095440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.095440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.095440 (E_RNA)
where:
Base-Base interactions energy: -448.830
where: short stacking energy: -158.748
Base-Backbone interact. energy: -1.017
local terms energy: -216.248282
where:
bonds (distance) C4'-P energy: -47.634
bonds (distance) P-C4' energy: -51.840
flat angles C4'-P-C4' energy: -47.904
flat angles P-C4'-P energy: -30.190
tors. eta vs tors. theta energy: -38.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -402.851395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.851395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.851395 (E_RNA)
where:
Base-Base interactions energy: -247.296
where: short stacking energy: -103.085
Base-Backbone interact. energy: -1.863
local terms energy: -153.692494
where:
bonds (distance) C4'-P energy: -35.420
bonds (distance) P-C4' energy: -41.592
flat angles C4'-P-C4' energy: -37.100
flat angles P-C4'-P energy: -25.971
tors. eta vs tors. theta energy: -13.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -233.797243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.797243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.797243 (E_RNA)
where:
Base-Base interactions energy: -70.294
where: short stacking energy: -65.420
Base-Backbone interact. energy: 1.018
local terms energy: -164.520849
where:
bonds (distance) C4'-P energy: -48.307
bonds (distance) P-C4' energy: -50.932
flat angles C4'-P-C4' energy: -43.148
flat angles P-C4'-P energy: -27.685
tors. eta vs tors. theta energy: 5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -957.976864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.976864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.976864 (E_RNA)
where:
Base-Base interactions energy: -685.636
where: short stacking energy: -272.677
Base-Backbone interact. energy: -0.964
local terms energy: -271.376546
where:
bonds (distance) C4'-P energy: -48.384
bonds (distance) P-C4' energy: -56.497
flat angles C4'-P-C4' energy: -56.786
flat angles P-C4'-P energy: -39.293
tors. eta vs tors. theta energy: -70.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -954.082040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.082040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.082040 (E_RNA)
where:
Base-Base interactions energy: -666.437
where: short stacking energy: -286.799
Base-Backbone interact. energy: -1.544
local terms energy: -286.100607
where:
bonds (distance) C4'-P energy: -50.094
bonds (distance) P-C4' energy: -49.652
flat angles C4'-P-C4' energy: -66.197
flat angles P-C4'-P energy: -33.997
tors. eta vs tors. theta energy: -86.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -924.368051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.368051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.368051 (E_RNA)
where:
Base-Base interactions energy: -652.095
where: short stacking energy: -274.583
Base-Backbone interact. energy: -0.683
local terms energy: -271.589159
where:
bonds (distance) C4'-P energy: -57.052
bonds (distance) P-C4' energy: -43.348
flat angles C4'-P-C4' energy: -57.175
flat angles P-C4'-P energy: -35.090
tors. eta vs tors. theta energy: -78.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -863.255530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.255530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.255530 (E_RNA)
where:
Base-Base interactions energy: -602.230
where: short stacking energy: -253.983
Base-Backbone interact. energy: -0.792
local terms energy: -260.233633
where:
bonds (distance) C4'-P energy: -52.152
bonds (distance) P-C4' energy: -39.576
flat angles C4'-P-C4' energy: -57.429
flat angles P-C4'-P energy: -38.290
tors. eta vs tors. theta energy: -72.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -865.333435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.333435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.333435 (E_RNA)
where:
Base-Base interactions energy: -598.695
where: short stacking energy: -251.694
Base-Backbone interact. energy: 1.477
local terms energy: -268.115387
where:
bonds (distance) C4'-P energy: -53.109
bonds (distance) P-C4' energy: -48.562
flat angles C4'-P-C4' energy: -52.570
flat angles P-C4'-P energy: -38.973
tors. eta vs tors. theta energy: -74.901
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: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -816.531910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.531910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.531910 (E_RNA)
where:
Base-Base interactions energy: -546.679
where: short stacking energy: -244.416
Base-Backbone interact. energy: -1.502
local terms energy: -268.350194
where:
bonds (distance) C4'-P energy: -50.419
bonds (distance) P-C4' energy: -46.996
flat angles C4'-P-C4' energy: -59.769
flat angles P-C4'-P energy: -43.571
tors. eta vs tors. theta energy: -67.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -779.320136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.320136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.320136 (E_RNA)
where:
Base-Base interactions energy: -539.521
where: short stacking energy: -230.427
Base-Backbone interact. energy: 0.738
local terms energy: -240.537768
where:
bonds (distance) C4'-P energy: -45.651
bonds (distance) P-C4' energy: -56.825
flat angles C4'-P-C4' energy: -42.886
flat angles P-C4'-P energy: -36.298
tors. eta vs tors. theta energy: -58.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -698.266900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.266900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.266900 (E_RNA)
where:
Base-Base interactions energy: -475.947
where: short stacking energy: -195.530
Base-Backbone interact. energy: 0.518
local terms energy: -222.837799
where:
bonds (distance) C4'-P energy: -39.904
bonds (distance) P-C4' energy: -50.853
flat angles C4'-P-C4' energy: -54.829
flat angles P-C4'-P energy: -29.268
tors. eta vs tors. theta energy: -47.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -438.562408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.562408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.562408 (E_RNA)
where:
Base-Base interactions energy: -255.698
where: short stacking energy: -120.104
Base-Backbone interact. energy: -0.953
local terms energy: -181.911322
where:
bonds (distance) C4'-P energy: -40.281
bonds (distance) P-C4' energy: -40.104
flat angles C4'-P-C4' energy: -47.568
flat angles P-C4'-P energy: -33.301
tors. eta vs tors. theta energy: -20.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -222.229769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.229769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.229769 (E_RNA)
where:
Base-Base interactions energy: -112.489
where: short stacking energy: -76.742
Base-Backbone interact. energy: 0.575
local terms energy: -110.315834
where:
bonds (distance) C4'-P energy: -26.402
bonds (distance) P-C4' energy: -40.724
flat angles C4'-P-C4' energy: -47.473
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: 13.601
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: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -963.095415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.095415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.095415 (E_RNA)
where:
Base-Base interactions energy: -667.280
where: short stacking energy: -283.626
Base-Backbone interact. energy: -1.942
local terms energy: -293.874061
where:
bonds (distance) C4'-P energy: -55.492
bonds (distance) P-C4' energy: -55.330
flat angles C4'-P-C4' energy: -59.130
flat angles P-C4'-P energy: -43.388
tors. eta vs tors. theta energy: -80.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -947.984048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.984048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.984048 (E_RNA)
where:
Base-Base interactions energy: -650.666
where: short stacking energy: -276.632
Base-Backbone interact. energy: -1.053
local terms energy: -296.265047
where:
bonds (distance) C4'-P energy: -56.021
bonds (distance) P-C4' energy: -49.367
flat angles C4'-P-C4' energy: -63.002
flat angles P-C4'-P energy: -47.094
tors. eta vs tors. theta energy: -80.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -938.522006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.522006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.522006 (E_RNA)
where:
Base-Base interactions energy: -646.320
where: short stacking energy: -269.398
Base-Backbone interact. energy: -0.434
local terms energy: -291.767588
where:
bonds (distance) C4'-P energy: -42.759
bonds (distance) P-C4' energy: -51.065
flat angles C4'-P-C4' energy: -63.943
flat angles P-C4'-P energy: -45.499
tors. eta vs tors. theta energy: -88.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -910.635263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.635263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.635263 (E_RNA)
where:
Base-Base interactions energy: -618.009
where: short stacking energy: -259.164
Base-Backbone interact. energy: -0.541
local terms energy: -292.085175
where:
bonds (distance) C4'-P energy: -56.081
bonds (distance) P-C4' energy: -49.862
flat angles C4'-P-C4' energy: -57.511
flat angles P-C4'-P energy: -47.824
tors. eta vs tors. theta energy: -80.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -826.326634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.326634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.326634 (E_RNA)
where:
Base-Base interactions energy: -568.553
where: short stacking energy: -244.444
Base-Backbone interact. energy: 0.039
local terms energy: -257.812715
where:
bonds (distance) C4'-P energy: -45.532
bonds (distance) P-C4' energy: -49.177
flat angles C4'-P-C4' energy: -54.837
flat angles P-C4'-P energy: -34.198
tors. eta vs tors. theta energy: -74.068
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: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -791.911458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.911458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.911458 (E_RNA)
where:
Base-Base interactions energy: -548.178
where: short stacking energy: -246.265
Base-Backbone interact. energy: -0.183
local terms energy: -243.549826
where:
bonds (distance) C4'-P energy: -46.741
bonds (distance) P-C4' energy: -45.410
flat angles C4'-P-C4' energy: -53.661
flat angles P-C4'-P energy: -30.833
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: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -772.627401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.627401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.627401 (E_RNA)
where:
Base-Base interactions energy: -543.194
where: short stacking energy: -233.562
Base-Backbone interact. energy: -0.627
local terms energy: -228.806507
where:
bonds (distance) C4'-P energy: -30.515
bonds (distance) P-C4' energy: -46.942
flat angles C4'-P-C4' energy: -54.439
flat angles P-C4'-P energy: -32.422
tors. eta vs tors. theta energy: -64.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -689.413016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.413016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.413016 (E_RNA)
where:
Base-Base interactions energy: -490.384
where: short stacking energy: -193.941
Base-Backbone interact. energy: -2.350
local terms energy: -196.679222
where:
bonds (distance) C4'-P energy: -34.871
bonds (distance) P-C4' energy: -39.230
flat angles C4'-P-C4' energy: -56.672
flat angles P-C4'-P energy: -23.646
tors. eta vs tors. theta energy: -42.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -443.247666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.247666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.247666 (E_RNA)
where:
Base-Base interactions energy: -258.387
where: short stacking energy: -119.633
Base-Backbone interact. energy: -0.679
local terms energy: -184.181429
where:
bonds (distance) C4'-P energy: -42.786
bonds (distance) P-C4' energy: -42.560
flat angles C4'-P-C4' energy: -47.812
flat angles P-C4'-P energy: -26.511
tors. eta vs tors. theta energy: -24.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -218.058916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.058916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.058916 (E_RNA)
where:
Base-Base interactions energy: -78.950
where: short stacking energy: -74.781
Base-Backbone interact. energy: -0.259
local terms energy: -138.849225
where:
bonds (distance) C4'-P energy: -39.982
bonds (distance) P-C4' energy: -46.436
flat angles C4'-P-C4' energy: -30.126
flat angles P-C4'-P energy: -34.092
tors. eta vs tors. theta energy: 11.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -963.002481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.002481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.002481 (E_RNA)
where:
Base-Base interactions energy: -669.997
where: short stacking energy: -272.150
Base-Backbone interact. energy: -1.700
local terms energy: -291.305726
where:
bonds (distance) C4'-P energy: -57.208
bonds (distance) P-C4' energy: -51.739
flat angles C4'-P-C4' energy: -62.415
flat angles P-C4'-P energy: -43.241
tors. eta vs tors. theta energy: -76.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -949.053652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.053652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.053652 (E_RNA)
where:
Base-Base interactions energy: -659.833
where: short stacking energy: -280.139
Base-Backbone interact. energy: -0.621
local terms energy: -288.600560
where:
bonds (distance) C4'-P energy: -51.535
bonds (distance) P-C4' energy: -52.840
flat angles C4'-P-C4' energy: -56.359
flat angles P-C4'-P energy: -45.565
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: 3, replica: 9
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -926.500237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.500237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.500237 (E_RNA)
where:
Base-Base interactions energy: -644.370
where: short stacking energy: -283.072
Base-Backbone interact. energy: -1.490
local terms energy: -280.640609
where:
bonds (distance) C4'-P energy: -45.632
bonds (distance) P-C4' energy: -42.421
flat angles C4'-P-C4' energy: -63.152
flat angles P-C4'-P energy: -41.605
tors. eta vs tors. theta energy: -87.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -909.865425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.865425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.865425 (E_RNA)
where:
Base-Base interactions energy: -648.815
where: short stacking energy: -285.837
Base-Backbone interact. energy: -0.851
local terms energy: -260.199344
where:
bonds (distance) C4'-P energy: -41.264
bonds (distance) P-C4' energy: -35.526
flat angles C4'-P-C4' energy: -62.246
flat angles P-C4'-P energy: -38.069
tors. eta vs tors. theta energy: -83.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -814.221008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.221008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.221008 (E_RNA)
where:
Base-Base interactions energy: -570.496
where: short stacking energy: -252.742
Base-Backbone interact. energy: -0.100
local terms energy: -243.625668
where:
bonds (distance) C4'-P energy: -43.856
bonds (distance) P-C4' energy: -46.869
flat angles C4'-P-C4' energy: -53.534
flat angles P-C4'-P energy: -29.746
tors. eta vs tors. theta energy: -69.621
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: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -802.590815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.590815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.590815 (E_RNA)
where:
Base-Base interactions energy: -543.410
where: short stacking energy: -236.393
Base-Backbone interact. energy: -1.322
local terms energy: -257.859001
where:
bonds (distance) C4'-P energy: -42.377
bonds (distance) P-C4' energy: -52.355
flat angles C4'-P-C4' energy: -52.170
flat angles P-C4'-P energy: -43.468
tors. eta vs tors. theta energy: -67.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -795.442770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.442770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.442770 (E_RNA)
where:
Base-Base interactions energy: -543.968
where: short stacking energy: -231.074
Base-Backbone interact. energy: 0.255
local terms energy: -251.729486
where:
bonds (distance) C4'-P energy: -49.259
bonds (distance) P-C4' energy: -47.159
flat angles C4'-P-C4' energy: -58.081
flat angles P-C4'-P energy: -37.188
tors. eta vs tors. theta energy: -60.042
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: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -668.176093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.176093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.176093 (E_RNA)
where:
Base-Base interactions energy: -442.947
where: short stacking energy: -178.719
Base-Backbone interact. energy: -2.578
local terms energy: -222.651401
where:
bonds (distance) C4'-P energy: -40.649
bonds (distance) P-C4' energy: -52.884
flat angles C4'-P-C4' energy: -56.181
flat angles P-C4'-P energy: -31.616
tors. eta vs tors. theta energy: -41.322
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: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -454.962226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.962226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.962226 (E_RNA)
where:
Base-Base interactions energy: -251.023
where: short stacking energy: -131.348
Base-Backbone interact. energy: -0.601
local terms energy: -203.338306
where:
bonds (distance) C4'-P energy: -44.436
bonds (distance) P-C4' energy: -51.931
flat angles C4'-P-C4' energy: -53.596
flat angles P-C4'-P energy: -23.361
tors. eta vs tors. theta energy: -30.015
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: 10, replica: 8
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -219.212486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.212486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.212486 (E_RNA)
where:
Base-Base interactions energy: -68.755
where: short stacking energy: -67.899
Base-Backbone interact. energy: 0.543
local terms energy: -151.000660
where:
bonds (distance) C4'-P energy: -47.422
bonds (distance) P-C4' energy: -43.435
flat angles C4'-P-C4' energy: -48.377
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: 3.990
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: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -973.886065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.886065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.886065 (E_RNA)
where:
Base-Base interactions energy: -685.919
where: short stacking energy: -276.719
Base-Backbone interact. energy: -3.369
local terms energy: -284.598050
where:
bonds (distance) C4'-P energy: -56.822
bonds (distance) P-C4' energy: -55.670
flat angles C4'-P-C4' energy: -60.669
flat angles P-C4'-P energy: -36.514
tors. eta vs tors. theta energy: -74.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -927.938368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.938368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.938368 (E_RNA)
where:
Base-Base interactions energy: -657.864
where: short stacking energy: -261.315
Base-Backbone interact. energy: 0.814
local terms energy: -270.888444
where:
bonds (distance) C4'-P energy: -45.101
bonds (distance) P-C4' energy: -45.681
flat angles C4'-P-C4' energy: -61.877
flat angles P-C4'-P energy: -43.558
tors. eta vs tors. theta energy: -74.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -918.693792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.693792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.693792 (E_RNA)
where:
Base-Base interactions energy: -640.705
where: short stacking energy: -269.802
Base-Backbone interact. energy: 0.544
local terms energy: -278.533348
where:
bonds (distance) C4'-P energy: -47.615
bonds (distance) P-C4' energy: -52.477
flat angles C4'-P-C4' energy: -61.871
flat angles P-C4'-P energy: -42.207
tors. eta vs tors. theta energy: -74.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -926.630318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.630318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.630318 (E_RNA)
where:
Base-Base interactions energy: -643.854
where: short stacking energy: -286.746
Base-Backbone interact. energy: 1.268
local terms energy: -284.044035
where:
bonds (distance) C4'-P energy: -42.755
bonds (distance) P-C4' energy: -49.212
flat angles C4'-P-C4' energy: -63.812
flat angles P-C4'-P energy: -42.455
tors. eta vs tors. theta energy: -85.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -821.905247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.905247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.905247 (E_RNA)
where:
Base-Base interactions energy: -582.221
where: short stacking energy: -251.723
Base-Backbone interact. energy: -0.536
local terms energy: -239.147961
where:
bonds (distance) C4'-P energy: -36.592
bonds (distance) P-C4' energy: -50.815
flat angles C4'-P-C4' energy: -51.788
flat angles P-C4'-P energy: -28.043
tors. eta vs tors. theta energy: -71.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -806.800887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.800887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.800887 (E_RNA)
where:
Base-Base interactions energy: -566.475
where: short stacking energy: -237.973
Base-Backbone interact. energy: -0.036
local terms energy: -240.290081
where:
bonds (distance) C4'-P energy: -43.723
bonds (distance) P-C4' energy: -38.629
flat angles C4'-P-C4' energy: -54.232
flat angles P-C4'-P energy: -41.741
tors. eta vs tors. theta energy: -61.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -804.998290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.998290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.998290 (E_RNA)
where:
Base-Base interactions energy: -552.649
where: short stacking energy: -221.498
Base-Backbone interact. energy: -1.639
local terms energy: -250.710024
where:
bonds (distance) C4'-P energy: -41.080
bonds (distance) P-C4' energy: -45.941
flat angles C4'-P-C4' energy: -59.110
flat angles P-C4'-P energy: -36.206
tors. eta vs tors. theta energy: -68.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -722.957347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.957347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.957347 (E_RNA)
where:
Base-Base interactions energy: -490.634
where: short stacking energy: -208.367
Base-Backbone interact. energy: 1.951
local terms energy: -234.273522
where:
bonds (distance) C4'-P energy: -43.977
bonds (distance) P-C4' energy: -48.853
flat angles C4'-P-C4' energy: -54.633
flat angles P-C4'-P energy: -34.741
tors. eta vs tors. theta energy: -52.070
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: 9, replica: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -458.216794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.216794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.216794 (E_RNA)
where:
Base-Base interactions energy: -268.403
where: short stacking energy: -138.941
Base-Backbone interact. energy: -0.037
local terms energy: -189.776519
where:
bonds (distance) C4'-P energy: -43.483
bonds (distance) P-C4' energy: -39.168
flat angles C4'-P-C4' energy: -43.668
flat angles P-C4'-P energy: -27.744
tors. eta vs tors. theta energy: -35.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -214.369291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.369291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.369291 (E_RNA)
where:
Base-Base interactions energy: -73.687
where: short stacking energy: -73.687
Base-Backbone interact. energy: 0.796
local terms energy: -141.478507
where:
bonds (distance) C4'-P energy: -43.196
bonds (distance) P-C4' energy: -39.026
flat angles C4'-P-C4' energy: -37.246
flat angles P-C4'-P energy: -20.851
tors. eta vs tors. theta energy: -1.159
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: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -962.280842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.280842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.280842 (E_RNA)
where:
Base-Base interactions energy: -688.788
where: short stacking energy: -266.996
Base-Backbone interact. energy: -1.479
local terms energy: -272.013673
where:
bonds (distance) C4'-P energy: -51.713
bonds (distance) P-C4' energy: -55.056
flat angles C4'-P-C4' energy: -53.383
flat angles P-C4'-P energy: -41.798
tors. eta vs tors. theta energy: -70.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -942.889037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.889037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.889037 (E_RNA)
where:
Base-Base interactions energy: -656.994
where: short stacking energy: -276.687
Base-Backbone interact. energy: -1.140
local terms energy: -284.755046
where:
bonds (distance) C4'-P energy: -55.840
bonds (distance) P-C4' energy: -51.265
flat angles C4'-P-C4' energy: -58.217
flat angles P-C4'-P energy: -38.540
tors. eta vs tors. theta energy: -80.894
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: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -932.140077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.140077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.140077 (E_RNA)
where:
Base-Base interactions energy: -652.709
where: short stacking energy: -279.096
Base-Backbone interact. energy: -0.212
local terms energy: -279.219211
where:
bonds (distance) C4'-P energy: -48.001
bonds (distance) P-C4' energy: -54.622
flat angles C4'-P-C4' energy: -57.143
flat angles P-C4'-P energy: -41.031
tors. eta vs tors. theta energy: -78.422
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: 288
Temperature: 1.050000
Total energy: -883.275427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.275427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.275427 (E_RNA)
where:
Base-Base interactions energy: -633.138
where: short stacking energy: -256.367
Base-Backbone interact. energy: 1.898
local terms energy: -252.035661
where:
bonds (distance) C4'-P energy: -50.311
bonds (distance) P-C4' energy: -47.365
flat angles C4'-P-C4' energy: -50.710
flat angles P-C4'-P energy: -35.771
tors. eta vs tors. theta energy: -67.879
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: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -837.053902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.053902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.053902 (E_RNA)
where:
Base-Base interactions energy: -579.603
where: short stacking energy: -247.679
Base-Backbone interact. energy: -0.316
local terms energy: -257.134485
where:
bonds (distance) C4'-P energy: -48.520
bonds (distance) P-C4' energy: -48.203
flat angles C4'-P-C4' energy: -52.323
flat angles P-C4'-P energy: -40.132
tors. eta vs tors. theta energy: -67.957
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: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -792.022378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.022378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.022378 (E_RNA)
where:
Base-Base interactions energy: -550.963
where: short stacking energy: -237.855
Base-Backbone interact. energy: -0.255
local terms energy: -240.804588
where:
bonds (distance) C4'-P energy: -49.011
bonds (distance) P-C4' energy: -43.770
flat angles C4'-P-C4' energy: -52.351
flat angles P-C4'-P energy: -31.735
tors. eta vs tors. theta energy: -63.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -811.057319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.057319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.057319 (E_RNA)
where:
Base-Base interactions energy: -569.656
where: short stacking energy: -244.716
Base-Backbone interact. energy: -2.264
local terms energy: -239.136919
where:
bonds (distance) C4'-P energy: -45.301
bonds (distance) P-C4' energy: -45.694
flat angles C4'-P-C4' energy: -50.263
flat angles P-C4'-P energy: -36.957
tors. eta vs tors. theta energy: -60.922
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: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -720.656887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.656887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.656887 (E_RNA)
where:
Base-Base interactions energy: -487.260
where: short stacking energy: -195.049
Base-Backbone interact. energy: -1.801
local terms energy: -231.595927
where:
bonds (distance) C4'-P energy: -44.661
bonds (distance) P-C4' energy: -49.091
flat angles C4'-P-C4' energy: -57.104
flat angles P-C4'-P energy: -31.704
tors. eta vs tors. theta energy: -49.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -556.068833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.068833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.068833 (E_RNA)
where:
Base-Base interactions energy: -342.083
where: short stacking energy: -174.613
Base-Backbone interact. energy: -0.144
local terms energy: -213.841705
where:
bonds (distance) C4'-P energy: -46.243
bonds (distance) P-C4' energy: -37.286
flat angles C4'-P-C4' energy: -49.370
flat angles P-C4'-P energy: -36.169
tors. eta vs tors. theta energy: -44.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -214.506403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.506403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.506403 (E_RNA)
where:
Base-Base interactions energy: -62.447
where: short stacking energy: -52.842
Base-Backbone interact. energy: 3.531
local terms energy: -155.590247
where:
bonds (distance) C4'-P energy: -51.737
bonds (distance) P-C4' energy: -57.800
flat angles C4'-P-C4' energy: -36.344
flat angles P-C4'-P energy: -19.677
tors. eta vs tors. theta energy: 9.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -938.060338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.060338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.060338 (E_RNA)
where:
Base-Base interactions energy: -687.553
where: short stacking energy: -266.145
Base-Backbone interact. energy: 0.920
local terms energy: -251.427787
where:
bonds (distance) C4'-P energy: -55.133
bonds (distance) P-C4' energy: -43.566
flat angles C4'-P-C4' energy: -60.755
flat angles P-C4'-P energy: -25.867
tors. eta vs tors. theta energy: -66.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -929.788394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.788394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.788394 (E_RNA)
where:
Base-Base interactions energy: -662.053
where: short stacking energy: -286.576
Base-Backbone interact. energy: -0.985
local terms energy: -266.750304
where:
bonds (distance) C4'-P energy: -52.213
bonds (distance) P-C4' energy: -51.183
flat angles C4'-P-C4' energy: -53.507
flat angles P-C4'-P energy: -31.058
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: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -919.902269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.902269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.902269 (E_RNA)
where:
Base-Base interactions energy: -638.486
where: short stacking energy: -270.084
Base-Backbone interact. energy: 0.044
local terms energy: -281.460470
where:
bonds (distance) C4'-P energy: -50.383
bonds (distance) P-C4' energy: -52.962
flat angles C4'-P-C4' energy: -57.470
flat angles P-C4'-P energy: -40.793
tors. eta vs tors. theta energy: -79.851
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: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -905.307707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.307707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.307707 (E_RNA)
where:
Base-Base interactions energy: -628.346
where: short stacking energy: -257.503
Base-Backbone interact. energy: -1.117
local terms energy: -275.844789
where:
bonds (distance) C4'-P energy: -45.263
bonds (distance) P-C4' energy: -53.588
flat angles C4'-P-C4' energy: -60.147
flat angles P-C4'-P energy: -38.584
tors. eta vs tors. theta energy: -78.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -844.854609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.854609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.854609 (E_RNA)
where:
Base-Base interactions energy: -576.466
where: short stacking energy: -243.063
Base-Backbone interact. energy: -1.613
local terms energy: -266.775130
where:
bonds (distance) C4'-P energy: -46.390
bonds (distance) P-C4' energy: -47.863
flat angles C4'-P-C4' energy: -59.787
flat angles P-C4'-P energy: -38.982
tors. eta vs tors. theta energy: -73.753
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: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -791.846524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.846524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.846524 (E_RNA)
where:
Base-Base interactions energy: -551.361
where: short stacking energy: -225.345
Base-Backbone interact. energy: 0.577
local terms energy: -241.062881
where:
bonds (distance) C4'-P energy: -36.410
bonds (distance) P-C4' energy: -45.153
flat angles C4'-P-C4' energy: -57.167
flat angles P-C4'-P energy: -41.962
tors. eta vs tors. theta energy: -60.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -777.186348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.186348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.186348 (E_RNA)
where:
Base-Base interactions energy: -544.963
where: short stacking energy: -212.452
Base-Backbone interact. energy: -0.004
local terms energy: -232.219908
where:
bonds (distance) C4'-P energy: -40.831
bonds (distance) P-C4' energy: -46.613
flat angles C4'-P-C4' energy: -52.311
flat angles P-C4'-P energy: -34.820
tors. eta vs tors. theta energy: -57.646
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: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -702.197179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.197179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.197179 (E_RNA)
where:
Base-Base interactions energy: -479.305
where: short stacking energy: -209.144
Base-Backbone interact. energy: 1.364
local terms energy: -224.255383
where:
bonds (distance) C4'-P energy: -50.747
bonds (distance) P-C4' energy: -45.700
flat angles C4'-P-C4' energy: -42.870
flat angles P-C4'-P energy: -35.157
tors. eta vs tors. theta energy: -49.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -528.261686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.261686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.261686 (E_RNA)
where:
Base-Base interactions energy: -322.161
where: short stacking energy: -141.667
Base-Backbone interact. energy: -1.371
local terms energy: -204.729745
where:
bonds (distance) C4'-P energy: -47.287
bonds (distance) P-C4' energy: -42.737
flat angles C4'-P-C4' energy: -46.773
flat angles P-C4'-P energy: -31.896
tors. eta vs tors. theta energy: -36.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -216.471553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.471553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.471553 (E_RNA)
where:
Base-Base interactions energy: -83.960
where: short stacking energy: -74.146
Base-Backbone interact. energy: 0.293
local terms energy: -132.803949
where:
bonds (distance) C4'-P energy: -33.947
bonds (distance) P-C4' energy: -45.121
flat angles C4'-P-C4' energy: -34.042
flat angles P-C4'-P energy: -26.523
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: 1, replica: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -943.178846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.178846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.178846 (E_RNA)
where:
Base-Base interactions energy: -669.099
where: short stacking energy: -266.810
Base-Backbone interact. energy: 0.178
local terms energy: -274.257702
where:
bonds (distance) C4'-P energy: -50.568
bonds (distance) P-C4' energy: -56.839
flat angles C4'-P-C4' energy: -56.905
flat angles P-C4'-P energy: -41.120
tors. eta vs tors. theta energy: -68.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -931.165723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.165723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.165723 (E_RNA)
where:
Base-Base interactions energy: -660.821
where: short stacking energy: -284.743
Base-Backbone interact. energy: -0.769
local terms energy: -269.575647
where:
bonds (distance) C4'-P energy: -41.429
bonds (distance) P-C4' energy: -54.527
flat angles C4'-P-C4' energy: -53.666
flat angles P-C4'-P energy: -45.282
tors. eta vs tors. theta energy: -74.672
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: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -912.692826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.692826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.692826 (E_RNA)
where:
Base-Base interactions energy: -632.042
where: short stacking energy: -259.082
Base-Backbone interact. energy: 1.885
local terms energy: -282.535539
where:
bonds (distance) C4'-P energy: -44.945
bonds (distance) P-C4' energy: -55.913
flat angles C4'-P-C4' energy: -58.725
flat angles P-C4'-P energy: -40.762
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: 4, replica: 9
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -892.737422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.737422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.737422 (E_RNA)
where:
Base-Base interactions energy: -627.071
where: short stacking energy: -258.128
Base-Backbone interact. energy: 0.533
local terms energy: -266.200055
where:
bonds (distance) C4'-P energy: -44.545
bonds (distance) P-C4' energy: -51.471
flat angles C4'-P-C4' energy: -54.386
flat angles P-C4'-P energy: -36.559
tors. eta vs tors. theta energy: -79.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -844.369854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.369854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.369854 (E_RNA)
where:
Base-Base interactions energy: -589.476
where: short stacking energy: -247.519
Base-Backbone interact. energy: -1.433
local terms energy: -253.461291
where:
bonds (distance) C4'-P energy: -33.790
bonds (distance) P-C4' energy: -55.908
flat angles C4'-P-C4' energy: -53.346
flat angles P-C4'-P energy: -37.562
tors. eta vs tors. theta energy: -72.855
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: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -795.669236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.669236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.669236 (E_RNA)
where:
Base-Base interactions energy: -553.775
where: short stacking energy: -244.609
Base-Backbone interact. energy: -0.365
local terms energy: -241.529020
where:
bonds (distance) C4'-P energy: -49.524
bonds (distance) P-C4' energy: -40.847
flat angles C4'-P-C4' energy: -51.485
flat angles P-C4'-P energy: -28.280
tors. eta vs tors. theta energy: -71.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -735.614818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.614818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.614818 (E_RNA)
where:
Base-Base interactions energy: -512.472
where: short stacking energy: -215.446
Base-Backbone interact. energy: -1.477
local terms energy: -221.666373
where:
bonds (distance) C4'-P energy: -39.292
bonds (distance) P-C4' energy: -38.937
flat angles C4'-P-C4' energy: -51.997
flat angles P-C4'-P energy: -37.221
tors. eta vs tors. theta energy: -54.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -747.954804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.954804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.954804 (E_RNA)
where:
Base-Base interactions energy: -517.000
where: short stacking energy: -213.961
Base-Backbone interact. energy: -1.166
local terms energy: -229.788548
where:
bonds (distance) C4'-P energy: -41.024
bonds (distance) P-C4' energy: -42.466
flat angles C4'-P-C4' energy: -53.160
flat angles P-C4'-P energy: -32.906
tors. eta vs tors. theta energy: -60.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -517.615213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.615213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.615213 (E_RNA)
where:
Base-Base interactions energy: -334.692
where: short stacking energy: -140.652
Base-Backbone interact. energy: -0.956
local terms energy: -181.967548
where:
bonds (distance) C4'-P energy: -41.141
bonds (distance) P-C4' energy: -41.409
flat angles C4'-P-C4' energy: -42.731
flat angles P-C4'-P energy: -20.348
tors. eta vs tors. theta energy: -36.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -216.810636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.810636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.810636 (E_RNA)
where:
Base-Base interactions energy: -65.894
where: short stacking energy: -56.005
Base-Backbone interact. energy: 1.182
local terms energy: -152.098895
where:
bonds (distance) C4'-P energy: -39.825
bonds (distance) P-C4' energy: -50.885
flat angles C4'-P-C4' energy: -47.961
flat angles P-C4'-P energy: -23.822
tors. eta vs tors. theta energy: 10.394
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: 1, replica: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -946.350284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.350284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.350284 (E_RNA)
where:
Base-Base interactions energy: -673.201
where: short stacking energy: -271.981
Base-Backbone interact. energy: 0.223
local terms energy: -273.372220
where:
bonds (distance) C4'-P energy: -45.520
bonds (distance) P-C4' energy: -43.139
flat angles C4'-P-C4' energy: -67.412
flat angles P-C4'-P energy: -42.186
tors. eta vs tors. theta energy: -75.115
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: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -943.103153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.103153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.103153 (E_RNA)
where:
Base-Base interactions energy: -648.711
where: short stacking energy: -278.681
Base-Backbone interact. energy: -0.203
local terms energy: -294.188847
where:
bonds (distance) C4'-P energy: -49.774
bonds (distance) P-C4' energy: -58.838
flat angles C4'-P-C4' energy: -61.328
flat angles P-C4'-P energy: -41.071
tors. eta vs tors. theta energy: -83.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -884.446544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.446544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.446544 (E_RNA)
where:
Base-Base interactions energy: -596.838
where: short stacking energy: -274.923
Base-Backbone interact. energy: -0.824
local terms energy: -286.784166
where:
bonds (distance) C4'-P energy: -54.945
bonds (distance) P-C4' energy: -48.443
flat angles C4'-P-C4' energy: -60.227
flat angles P-C4'-P energy: -38.433
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: 4, replica: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -900.165602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.165602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.165602 (E_RNA)
where:
Base-Base interactions energy: -640.459
where: short stacking energy: -268.531
Base-Backbone interact. energy: 2.582
local terms energy: -262.289005
where:
bonds (distance) C4'-P energy: -50.018
bonds (distance) P-C4' energy: -44.782
flat angles C4'-P-C4' energy: -55.462
flat angles P-C4'-P energy: -30.783
tors. eta vs tors. theta energy: -81.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -835.793756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.793756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.793756 (E_RNA)
where:
Base-Base interactions energy: -570.997
where: short stacking energy: -248.841
Base-Backbone interact. energy: -0.188
local terms energy: -264.609026
where:
bonds (distance) C4'-P energy: -48.576
bonds (distance) P-C4' energy: -47.644
flat angles C4'-P-C4' energy: -54.146
flat angles P-C4'-P energy: -38.747
tors. eta vs tors. theta energy: -75.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -791.962653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.962653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.962653 (E_RNA)
where:
Base-Base interactions energy: -543.036
where: short stacking energy: -233.334
Base-Backbone interact. energy: -1.381
local terms energy: -247.545516
where:
bonds (distance) C4'-P energy: -51.322
bonds (distance) P-C4' energy: -46.839
flat angles C4'-P-C4' energy: -45.436
flat angles P-C4'-P energy: -32.620
tors. eta vs tors. theta energy: -71.330
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: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -757.464991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.464991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.464991 (E_RNA)
where:
Base-Base interactions energy: -515.112
where: short stacking energy: -214.025
Base-Backbone interact. energy: -1.039
local terms energy: -241.314111
where:
bonds (distance) C4'-P energy: -47.826
bonds (distance) P-C4' energy: -56.804
flat angles C4'-P-C4' energy: -57.042
flat angles P-C4'-P energy: -25.994
tors. eta vs tors. theta energy: -53.649
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: 5
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -752.892521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.892521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.892521 (E_RNA)
where:
Base-Base interactions energy: -513.371
where: short stacking energy: -213.690
Base-Backbone interact. energy: -1.663
local terms energy: -237.858555
where:
bonds (distance) C4'-P energy: -33.105
bonds (distance) P-C4' energy: -42.902
flat angles C4'-P-C4' energy: -53.776
flat angles P-C4'-P energy: -42.076
tors. eta vs tors. theta energy: -65.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -491.396514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.396514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.396514 (E_RNA)
where:
Base-Base interactions energy: -290.931
where: short stacking energy: -132.317
Base-Backbone interact. energy: 0.413
local terms energy: -200.878616
where:
bonds (distance) C4'-P energy: -40.502
bonds (distance) P-C4' energy: -43.510
flat angles C4'-P-C4' energy: -47.499
flat angles P-C4'-P energy: -42.142
tors. eta vs tors. theta energy: -27.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -227.087707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.087707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.087707 (E_RNA)
where:
Base-Base interactions energy: -88.692
where: short stacking energy: -64.080
Base-Backbone interact. energy: 0.159
local terms energy: -138.554570
where:
bonds (distance) C4'-P energy: -44.039
bonds (distance) P-C4' energy: -36.614
flat angles C4'-P-C4' energy: -26.609
flat angles P-C4'-P energy: -23.537
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: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -965.923724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.923724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.923724 (E_RNA)
where:
Base-Base interactions energy: -689.676
where: short stacking energy: -277.431
Base-Backbone interact. energy: -0.287
local terms energy: -275.960584
where:
bonds (distance) C4'-P energy: -51.445
bonds (distance) P-C4' energy: -54.067
flat angles C4'-P-C4' energy: -58.981
flat angles P-C4'-P energy: -39.755
tors. eta vs tors. theta energy: -71.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -942.367281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.367281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.367281 (E_RNA)
where:
Base-Base interactions energy: -658.910
where: short stacking energy: -289.147
Base-Backbone interact. energy: 1.309
local terms energy: -284.767021
where:
bonds (distance) C4'-P energy: -51.590
bonds (distance) P-C4' energy: -38.718
flat angles C4'-P-C4' energy: -62.572
flat angles P-C4'-P energy: -44.049
tors. eta vs tors. theta energy: -87.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -923.746179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.746179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.746179 (E_RNA)
where:
Base-Base interactions energy: -643.807
where: short stacking energy: -272.256
Base-Backbone interact. energy: -0.875
local terms energy: -279.063470
where:
bonds (distance) C4'-P energy: -43.219
bonds (distance) P-C4' energy: -51.406
flat angles C4'-P-C4' energy: -60.223
flat angles P-C4'-P energy: -42.908
tors. eta vs tors. theta energy: -81.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -858.088776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.088776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.088776 (E_RNA)
where:
Base-Base interactions energy: -594.207
where: short stacking energy: -241.477
Base-Backbone interact. energy: 1.965
local terms energy: -265.847344
where:
bonds (distance) C4'-P energy: -49.902
bonds (distance) P-C4' energy: -51.943
flat angles C4'-P-C4' energy: -60.560
flat angles P-C4'-P energy: -37.704
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: 5, replica: 7
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -851.489301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.489301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.489301 (E_RNA)
where:
Base-Base interactions energy: -575.406
where: short stacking energy: -253.055
Base-Backbone interact. energy: 1.129
local terms energy: -277.211667
where:
bonds (distance) C4'-P energy: -54.203
bonds (distance) P-C4' energy: -48.065
flat angles C4'-P-C4' energy: -61.217
flat angles P-C4'-P energy: -41.065
tors. eta vs tors. theta energy: -72.661
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: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -792.342685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.342685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.342685 (E_RNA)
where:
Base-Base interactions energy: -535.779
where: short stacking energy: -221.307
Base-Backbone interact. energy: 1.010
local terms energy: -257.573688
where:
bonds (distance) C4'-P energy: -52.610
bonds (distance) P-C4' energy: -55.365
flat angles C4'-P-C4' energy: -57.483
flat angles P-C4'-P energy: -33.315
tors. eta vs tors. theta energy: -58.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -783.689085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.689085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.689085 (E_RNA)
where:
Base-Base interactions energy: -545.683
where: short stacking energy: -220.528
Base-Backbone interact. energy: -0.522
local terms energy: -237.484486
where:
bonds (distance) C4'-P energy: -43.783
bonds (distance) P-C4' energy: -34.318
flat angles C4'-P-C4' energy: -58.461
flat angles P-C4'-P energy: -33.624
tors. eta vs tors. theta energy: -67.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -686.937532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.937532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.937532 (E_RNA)
where:
Base-Base interactions energy: -464.433
where: short stacking energy: -188.907
Base-Backbone interact. energy: -1.859
local terms energy: -220.645261
where:
bonds (distance) C4'-P energy: -46.987
bonds (distance) P-C4' energy: -49.825
flat angles C4'-P-C4' energy: -49.832
flat angles P-C4'-P energy: -24.738
tors. eta vs tors. theta energy: -49.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -496.443980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.443980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.443980 (E_RNA)
where:
Base-Base interactions energy: -336.593
where: short stacking energy: -141.100
Base-Backbone interact. energy: 3.755
local terms energy: -163.605450
where:
bonds (distance) C4'-P energy: -30.472
bonds (distance) P-C4' energy: -35.388
flat angles C4'-P-C4' energy: -43.528
flat angles P-C4'-P energy: -26.689
tors. eta vs tors. theta energy: -27.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -268.544485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.544485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.544485 (E_RNA)
where:
Base-Base interactions energy: -100.430
where: short stacking energy: -95.405
Base-Backbone interact. energy: -2.082
local terms energy: -166.032539
where:
bonds (distance) C4'-P energy: -52.708
bonds (distance) P-C4' energy: -43.475
flat angles C4'-P-C4' energy: -44.396
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -13.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -964.253315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.253315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.253315 (E_RNA)
where:
Base-Base interactions energy: -676.990
where: short stacking energy: -286.030
Base-Backbone interact. energy: -0.878
local terms energy: -286.385352
where:
bonds (distance) C4'-P energy: -46.053
bonds (distance) P-C4' energy: -54.752
flat angles C4'-P-C4' energy: -60.506
flat angles P-C4'-P energy: -46.475
tors. eta vs tors. theta energy: -78.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -950.560330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.560330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.560330 (E_RNA)
where:
Base-Base interactions energy: -660.299
where: short stacking energy: -276.729
Base-Backbone interact. energy: -1.419
local terms energy: -288.841949
where:
bonds (distance) C4'-P energy: -51.305
bonds (distance) P-C4' energy: -57.706
flat angles C4'-P-C4' energy: -60.220
flat angles P-C4'-P energy: -36.982
tors. eta vs tors. theta energy: -82.629
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: 2
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -937.893851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.893851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.893851 (E_RNA)
where:
Base-Base interactions energy: -650.011
where: short stacking energy: -282.363
Base-Backbone interact. energy: 5.566
local terms energy: -293.448005
where:
bonds (distance) C4'-P energy: -47.227
bonds (distance) P-C4' energy: -51.573
flat angles C4'-P-C4' energy: -66.449
flat angles P-C4'-P energy: -40.489
tors. eta vs tors. theta energy: -87.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -857.549806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.549806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.549806 (E_RNA)
where:
Base-Base interactions energy: -601.351
where: short stacking energy: -250.099
Base-Backbone interact. energy: -0.621
local terms energy: -255.577369
where:
bonds (distance) C4'-P energy: -48.928
bonds (distance) P-C4' energy: -46.892
flat angles C4'-P-C4' energy: -57.607
flat angles P-C4'-P energy: -36.507
tors. eta vs tors. theta energy: -65.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -822.368286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.368286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.368286 (E_RNA)
where:
Base-Base interactions energy: -567.877
where: short stacking energy: -247.657
Base-Backbone interact. energy: -0.632
local terms energy: -253.858676
where:
bonds (distance) C4'-P energy: -47.492
bonds (distance) P-C4' energy: -51.213
flat angles C4'-P-C4' energy: -49.991
flat angles P-C4'-P energy: -35.087
tors. eta vs tors. theta energy: -70.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -796.962991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.962991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.962991 (E_RNA)
where:
Base-Base interactions energy: -559.484
where: short stacking energy: -240.036
Base-Backbone interact. energy: -0.722
local terms energy: -236.757215
where:
bonds (distance) C4'-P energy: -46.670
bonds (distance) P-C4' energy: -42.430
flat angles C4'-P-C4' energy: -50.430
flat angles P-C4'-P energy: -32.795
tors. eta vs tors. theta energy: -64.431
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: 7, replica: 3
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -766.559906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.559906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.559906 (E_RNA)
where:
Base-Base interactions energy: -514.172
where: short stacking energy: -228.862
Base-Backbone interact. energy: 3.253
local terms energy: -255.640229
where:
bonds (distance) C4'-P energy: -47.877
bonds (distance) P-C4' energy: -43.573
flat angles C4'-P-C4' energy: -58.019
flat angles P-C4'-P energy: -34.431
tors. eta vs tors. theta energy: -71.740
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: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -686.238524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.238524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.238524 (E_RNA)
where:
Base-Base interactions energy: -468.530
where: short stacking energy: -192.774
Base-Backbone interact. energy: -1.094
local terms energy: -216.614330
where:
bonds (distance) C4'-P energy: -44.139
bonds (distance) P-C4' energy: -43.577
flat angles C4'-P-C4' energy: -51.827
flat angles P-C4'-P energy: -30.746
tors. eta vs tors. theta energy: -46.325
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: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -484.179676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.179676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.179676 (E_RNA)
where:
Base-Base interactions energy: -278.922
where: short stacking energy: -134.833
Base-Backbone interact. energy: 2.460
local terms energy: -207.716859
where:
bonds (distance) C4'-P energy: -46.034
bonds (distance) P-C4' energy: -52.712
flat angles C4'-P-C4' energy: -49.508
flat angles P-C4'-P energy: -34.523
tors. eta vs tors. theta energy: -24.940
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: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -208.435385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.435385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.435385 (E_RNA)
where:
Base-Base interactions energy: -59.720
where: short stacking energy: -56.362
Base-Backbone interact. energy: -0.929
local terms energy: -147.785863
where:
bonds (distance) C4'-P energy: -42.758
bonds (distance) P-C4' energy: -43.680
flat angles C4'-P-C4' energy: -40.026
flat angles P-C4'-P energy: -21.766
tors. eta vs tors. theta energy: 0.445
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: 1, replica: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -949.666861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.666861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.666861 (E_RNA)
where:
Base-Base interactions energy: -661.035
where: short stacking energy: -290.459
Base-Backbone interact. energy: 0.185
local terms energy: -288.817593
where:
bonds (distance) C4'-P energy: -55.694
bonds (distance) P-C4' energy: -46.383
flat angles C4'-P-C4' energy: -65.546
flat angles P-C4'-P energy: -38.045
tors. eta vs tors. theta energy: -83.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -931.569812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.569812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.569812 (E_RNA)
where:
Base-Base interactions energy: -656.942
where: short stacking energy: -268.991
Base-Backbone interact. energy: -2.397
local terms energy: -272.231154
where:
bonds (distance) C4'-P energy: -43.837
bonds (distance) P-C4' energy: -48.350
flat angles C4'-P-C4' energy: -64.246
flat angles P-C4'-P energy: -41.843
tors. eta vs tors. theta energy: -73.955
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: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -942.909562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.909562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.909562 (E_RNA)
where:
Base-Base interactions energy: -656.427
where: short stacking energy: -283.073
Base-Backbone interact. energy: 0.270
local terms energy: -286.752468
where:
bonds (distance) C4'-P energy: -53.812
bonds (distance) P-C4' energy: -60.196
flat angles C4'-P-C4' energy: -50.673
flat angles P-C4'-P energy: -38.010
tors. eta vs tors. theta energy: -84.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -853.413868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.413868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.413868 (E_RNA)
where:
Base-Base interactions energy: -584.505
where: short stacking energy: -250.874
Base-Backbone interact. energy: -1.442
local terms energy: -267.466957
where:
bonds (distance) C4'-P energy: -47.963
bonds (distance) P-C4' energy: -58.944
flat angles C4'-P-C4' energy: -59.668
flat angles P-C4'-P energy: -30.054
tors. eta vs tors. theta energy: -70.838
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: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -809.505096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.505096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.505096 (E_RNA)
where:
Base-Base interactions energy: -573.203
where: short stacking energy: -246.861
Base-Backbone interact. energy: 0.212
local terms energy: -236.513938
where:
bonds (distance) C4'-P energy: -44.104
bonds (distance) P-C4' energy: -56.022
flat angles C4'-P-C4' energy: -48.265
flat angles P-C4'-P energy: -26.938
tors. eta vs tors. theta energy: -61.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -803.089546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.089546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.089546 (E_RNA)
where:
Base-Base interactions energy: -558.236
where: short stacking energy: -226.856
Base-Backbone interact. energy: -0.491
local terms energy: -244.362641
where:
bonds (distance) C4'-P energy: -45.002
bonds (distance) P-C4' energy: -48.174
flat angles C4'-P-C4' energy: -49.016
flat angles P-C4'-P energy: -37.487
tors. eta vs tors. theta energy: -64.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -705.405485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.405485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.405485 (E_RNA)
where:
Base-Base interactions energy: -478.302
where: short stacking energy: -188.146
Base-Backbone interact. energy: -1.204
local terms energy: -225.899482
where:
bonds (distance) C4'-P energy: -50.995
bonds (distance) P-C4' energy: -50.595
flat angles C4'-P-C4' energy: -45.569
flat angles P-C4'-P energy: -28.841
tors. eta vs tors. theta energy: -49.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -723.493113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.493113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.493113 (E_RNA)
where:
Base-Base interactions energy: -507.387
where: short stacking energy: -213.878
Base-Backbone interact. energy: -1.102
local terms energy: -215.003573
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -44.421
flat angles C4'-P-C4' energy: -56.623
flat angles P-C4'-P energy: -33.520
tors. eta vs tors. theta energy: -62.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -547.635991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.635991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.635991 (E_RNA)
where:
Base-Base interactions energy: -364.319
where: short stacking energy: -174.820
Base-Backbone interact. energy: -0.982
local terms energy: -182.335102
where:
bonds (distance) C4'-P energy: -32.464
bonds (distance) P-C4' energy: -47.882
flat angles C4'-P-C4' energy: -44.466
flat angles P-C4'-P energy: -21.269
tors. eta vs tors. theta energy: -36.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -227.328871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.328871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.328871 (E_RNA)
where:
Base-Base interactions energy: -90.422
where: short stacking energy: -65.545
Base-Backbone interact. energy: 2.794
local terms energy: -139.701138
where:
bonds (distance) C4'-P energy: -34.963
bonds (distance) P-C4' energy: -45.156
flat angles C4'-P-C4' energy: -30.275
flat angles P-C4'-P energy: -27.679
tors. eta vs tors. theta energy: -1.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -943.234188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.234188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.234188 (E_RNA)
where:
Base-Base interactions energy: -660.571
where: short stacking energy: -270.420
Base-Backbone interact. energy: 2.216
local terms energy: -284.878695
where:
bonds (distance) C4'-P energy: -52.874
bonds (distance) P-C4' energy: -55.651
flat angles C4'-P-C4' energy: -61.888
flat angles P-C4'-P energy: -37.898
tors. eta vs tors. theta energy: -76.568
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: 4
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -939.223770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.223770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.223770 (E_RNA)
where:
Base-Base interactions energy: -653.730
where: short stacking energy: -276.756
Base-Backbone interact. energy: -0.625
local terms energy: -284.868607
where:
bonds (distance) C4'-P energy: -47.214
bonds (distance) P-C4' energy: -51.563
flat angles C4'-P-C4' energy: -57.569
flat angles P-C4'-P energy: -51.538
tors. eta vs tors. theta energy: -76.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -904.923409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.923409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.923409 (E_RNA)
where:
Base-Base interactions energy: -639.681
where: short stacking energy: -267.484
Base-Backbone interact. energy: 1.116
local terms energy: -266.357539
where:
bonds (distance) C4'-P energy: -52.162
bonds (distance) P-C4' energy: -47.384
flat angles C4'-P-C4' energy: -56.281
flat angles P-C4'-P energy: -40.712
tors. eta vs tors. theta energy: -69.819
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: 295
Temperature: 1.050000
Total energy: -856.283809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.283809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.283809 (E_RNA)
where:
Base-Base interactions energy: -602.316
where: short stacking energy: -256.366
Base-Backbone interact. energy: -0.536
local terms energy: -253.432424
where:
bonds (distance) C4'-P energy: -49.674
bonds (distance) P-C4' energy: -47.080
flat angles C4'-P-C4' energy: -50.056
flat angles P-C4'-P energy: -30.870
tors. eta vs tors. theta energy: -75.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -830.062992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.062992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.062992 (E_RNA)
where:
Base-Base interactions energy: -581.831
where: short stacking energy: -269.201
Base-Backbone interact. energy: -0.690
local terms energy: -247.541906
where:
bonds (distance) C4'-P energy: -48.583
bonds (distance) P-C4' energy: -32.243
flat angles C4'-P-C4' energy: -55.289
flat angles P-C4'-P energy: -33.580
tors. eta vs tors. theta energy: -77.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -797.023489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.023489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.023489 (E_RNA)
where:
Base-Base interactions energy: -546.555
where: short stacking energy: -234.042
Base-Backbone interact. energy: -0.399
local terms energy: -250.069260
where:
bonds (distance) C4'-P energy: -48.821
bonds (distance) P-C4' energy: -53.270
flat angles C4'-P-C4' energy: -53.891
flat angles P-C4'-P energy: -30.963
tors. eta vs tors. theta energy: -63.124
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: 295
Temperature: 1.200000
Total energy: -695.640299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.640299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.640299 (E_RNA)
where:
Base-Base interactions energy: -478.773
where: short stacking energy: -191.833
Base-Backbone interact. energy: -0.447
local terms energy: -216.419727
where:
bonds (distance) C4'-P energy: -40.945
bonds (distance) P-C4' energy: -41.656
flat angles C4'-P-C4' energy: -53.191
flat angles P-C4'-P energy: -30.802
tors. eta vs tors. theta energy: -49.825
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: 3
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -759.027857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.027857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.027857 (E_RNA)
where:
Base-Base interactions energy: -521.385
where: short stacking energy: -211.515
Base-Backbone interact. energy: -0.501
local terms energy: -237.141960
where:
bonds (distance) C4'-P energy: -53.177
bonds (distance) P-C4' energy: -38.276
flat angles C4'-P-C4' energy: -47.434
flat angles P-C4'-P energy: -34.924
tors. eta vs tors. theta energy: -63.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -509.172868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.172868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.172868 (E_RNA)
where:
Base-Base interactions energy: -297.427
where: short stacking energy: -142.522
Base-Backbone interact. energy: 0.522
local terms energy: -212.267568
where:
bonds (distance) C4'-P energy: -41.962
bonds (distance) P-C4' energy: -51.543
flat angles C4'-P-C4' energy: -47.243
flat angles P-C4'-P energy: -28.652
tors. eta vs tors. theta energy: -42.867
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: 10, replica: 8
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -231.902533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.902533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.902533 (E_RNA)
where:
Base-Base interactions energy: -79.015
where: short stacking energy: -66.147
Base-Backbone interact. energy: -0.694
local terms energy: -152.193012
where:
bonds (distance) C4'-P energy: -45.775
bonds (distance) P-C4' energy: -46.463
flat angles C4'-P-C4' energy: -38.786
flat angles P-C4'-P energy: -23.587
tors. eta vs tors. theta energy: 2.418
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: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -957.996482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.996482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.996482 (E_RNA)
where:
Base-Base interactions energy: -678.502
where: short stacking energy: -274.397
Base-Backbone interact. energy: -2.969
local terms energy: -276.525573
where:
bonds (distance) C4'-P energy: -47.817
bonds (distance) P-C4' energy: -59.359
flat angles C4'-P-C4' energy: -60.529
flat angles P-C4'-P energy: -39.633
tors. eta vs tors. theta energy: -69.188
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: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -947.363312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.363312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.363312 (E_RNA)
where:
Base-Base interactions energy: -655.536
where: short stacking energy: -289.552
Base-Backbone interact. energy: -1.010
local terms energy: -290.817445
where:
bonds (distance) C4'-P energy: -45.605
bonds (distance) P-C4' energy: -49.443
flat angles C4'-P-C4' energy: -63.118
flat angles P-C4'-P energy: -39.916
tors. eta vs tors. theta energy: -92.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -919.226865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.226865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.226865 (E_RNA)
where:
Base-Base interactions energy: -645.597
where: short stacking energy: -267.111
Base-Backbone interact. energy: -0.028
local terms energy: -273.602355
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -49.237
flat angles C4'-P-C4' energy: -61.917
flat angles P-C4'-P energy: -30.388
tors. eta vs tors. theta energy: -83.482
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: 1
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -856.730472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.730472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.730472 (E_RNA)
where:
Base-Base interactions energy: -583.463
where: short stacking energy: -259.394
Base-Backbone interact. energy: -2.160
local terms energy: -271.108078
where:
bonds (distance) C4'-P energy: -51.334
bonds (distance) P-C4' energy: -49.597
flat angles C4'-P-C4' energy: -59.299
flat angles P-C4'-P energy: -40.412
tors. eta vs tors. theta energy: -70.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -832.846616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.846616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.846616 (E_RNA)
where:
Base-Base interactions energy: -575.971
where: short stacking energy: -255.339
Base-Backbone interact. energy: -0.816
local terms energy: -256.059183
where:
bonds (distance) C4'-P energy: -47.790
bonds (distance) P-C4' energy: -50.745
flat angles C4'-P-C4' energy: -51.669
flat angles P-C4'-P energy: -34.186
tors. eta vs tors. theta energy: -71.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -768.772511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.772511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.772511 (E_RNA)
where:
Base-Base interactions energy: -527.082
where: short stacking energy: -224.156
Base-Backbone interact. energy: -0.489
local terms energy: -241.201757
where:
bonds (distance) C4'-P energy: -41.965
bonds (distance) P-C4' energy: -52.643
flat angles C4'-P-C4' energy: -55.512
flat angles P-C4'-P energy: -29.052
tors. eta vs tors. theta energy: -62.030
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: 3
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -782.411005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.411005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.411005 (E_RNA)
where:
Base-Base interactions energy: -547.313
where: short stacking energy: -242.992
Base-Backbone interact. energy: 0.340
local terms energy: -235.437917
where:
bonds (distance) C4'-P energy: -49.736
bonds (distance) P-C4' energy: -41.033
flat angles C4'-P-C4' energy: -53.663
flat angles P-C4'-P energy: -23.815
tors. eta vs tors. theta energy: -67.190
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: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -690.928536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.928536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.928536 (E_RNA)
where:
Base-Base interactions energy: -470.185
where: short stacking energy: -202.412
Base-Backbone interact. energy: -1.683
local terms energy: -219.060883
where:
bonds (distance) C4'-P energy: -44.571
bonds (distance) P-C4' energy: -46.846
flat angles C4'-P-C4' energy: -41.275
flat angles P-C4'-P energy: -35.737
tors. eta vs tors. theta energy: -50.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -483.936615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.936615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.936615 (E_RNA)
where:
Base-Base interactions energy: -307.636
where: short stacking energy: -137.026
Base-Backbone interact. energy: 2.268
local terms energy: -178.568090
where:
bonds (distance) C4'-P energy: -48.512
bonds (distance) P-C4' energy: -45.918
flat angles C4'-P-C4' energy: -34.540
flat angles P-C4'-P energy: -28.101
tors. eta vs tors. theta energy: -21.497
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: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -246.023172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.023172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.023172 (E_RNA)
where:
Base-Base interactions energy: -87.877
where: short stacking energy: -80.049
Base-Backbone interact. energy: 1.009
local terms energy: -159.155107
where:
bonds (distance) C4'-P energy: -46.600
bonds (distance) P-C4' energy: -38.445
flat angles C4'-P-C4' energy: -50.620
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: -4.009
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: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -960.524751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.524751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.524751 (E_RNA)
where:
Base-Base interactions energy: -683.186
where: short stacking energy: -265.716
Base-Backbone interact. energy: -1.398
local terms energy: -275.941359
where:
bonds (distance) C4'-P energy: -54.034
bonds (distance) P-C4' energy: -51.193
flat angles C4'-P-C4' energy: -61.184
flat angles P-C4'-P energy: -34.240
tors. eta vs tors. theta energy: -75.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -952.031448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.031448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.031448 (E_RNA)
where:
Base-Base interactions energy: -666.763
where: short stacking energy: -292.492
Base-Backbone interact. energy: -1.082
local terms energy: -284.186635
where:
bonds (distance) C4'-P energy: -52.218
bonds (distance) P-C4' energy: -48.261
flat angles C4'-P-C4' energy: -56.362
flat angles P-C4'-P energy: -43.050
tors. eta vs tors. theta energy: -84.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -914.732220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.732220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.732220 (E_RNA)
where:
Base-Base interactions energy: -642.060
where: short stacking energy: -270.545
Base-Backbone interact. energy: -0.641
local terms energy: -272.030953
where:
bonds (distance) C4'-P energy: -50.102
bonds (distance) P-C4' energy: -45.002
flat angles C4'-P-C4' energy: -54.355
flat angles P-C4'-P energy: -39.764
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: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -875.807480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.807480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.807480 (E_RNA)
where:
Base-Base interactions energy: -590.693
where: short stacking energy: -262.949
Base-Backbone interact. energy: -0.409
local terms energy: -284.705349
where:
bonds (distance) C4'-P energy: -49.448
bonds (distance) P-C4' energy: -54.688
flat angles C4'-P-C4' energy: -59.085
flat angles P-C4'-P energy: -39.200
tors. eta vs tors. theta energy: -82.284
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: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -792.959282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.959282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.959282 (E_RNA)
where:
Base-Base interactions energy: -538.937
where: short stacking energy: -237.558
Base-Backbone interact. energy: -2.606
local terms energy: -251.416518
where:
bonds (distance) C4'-P energy: -47.918
bonds (distance) P-C4' energy: -41.441
flat angles C4'-P-C4' energy: -57.520
flat angles P-C4'-P energy: -40.231
tors. eta vs tors. theta energy: -64.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -808.601496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.601496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.601496 (E_RNA)
where:
Base-Base interactions energy: -565.665
where: short stacking energy: -236.044
Base-Backbone interact. energy: -0.899
local terms energy: -242.037831
where:
bonds (distance) C4'-P energy: -50.325
bonds (distance) P-C4' energy: -45.383
flat angles C4'-P-C4' energy: -46.531
flat angles P-C4'-P energy: -30.802
tors. eta vs tors. theta energy: -68.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -721.810920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.810920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.810920 (E_RNA)
where:
Base-Base interactions energy: -501.880
where: short stacking energy: -205.179
Base-Backbone interact. energy: -0.681
local terms energy: -219.249779
where:
bonds (distance) C4'-P energy: -30.448
bonds (distance) P-C4' energy: -45.891
flat angles C4'-P-C4' energy: -53.070
flat angles P-C4'-P energy: -37.814
tors. eta vs tors. theta energy: -52.026
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: 297
Temperature: 1.250000
Total energy: -679.662319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.662319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.662319 (E_RNA)
where:
Base-Base interactions energy: -472.370
where: short stacking energy: -199.545
Base-Backbone interact. energy: -1.224
local terms energy: -206.068662
where:
bonds (distance) C4'-P energy: -35.935
bonds (distance) P-C4' energy: -51.693
flat angles C4'-P-C4' energy: -42.713
flat angles P-C4'-P energy: -25.051
tors. eta vs tors. theta energy: -50.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -504.600976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.600976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.600976 (E_RNA)
where:
Base-Base interactions energy: -312.431
where: short stacking energy: -156.809
Base-Backbone interact. energy: -0.467
local terms energy: -191.703360
where:
bonds (distance) C4'-P energy: -30.993
bonds (distance) P-C4' energy: -50.313
flat angles C4'-P-C4' energy: -46.759
flat angles P-C4'-P energy: -32.324
tors. eta vs tors. theta energy: -31.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -230.392768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.392768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.392768 (E_RNA)
where:
Base-Base interactions energy: -104.907
where: short stacking energy: -88.227
Base-Backbone interact. energy: 4.325
local terms energy: -129.810723
where:
bonds (distance) C4'-P energy: -38.318
bonds (distance) P-C4' energy: -38.419
flat angles C4'-P-C4' energy: -44.837
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: 1.864
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: 1, replica: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -954.205541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.205541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.205541 (E_RNA)
where:
Base-Base interactions energy: -677.920
where: short stacking energy: -276.087
Base-Backbone interact. energy: -0.146
local terms energy: -276.139717
where:
bonds (distance) C4'-P energy: -47.990
bonds (distance) P-C4' energy: -45.817
flat angles C4'-P-C4' energy: -61.226
flat angles P-C4'-P energy: -47.431
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: 2, replica: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -949.890470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.890470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.890470 (E_RNA)
where:
Base-Base interactions energy: -669.501
where: short stacking energy: -289.444
Base-Backbone interact. energy: -1.205
local terms energy: -279.183906
where:
bonds (distance) C4'-P energy: -45.499
bonds (distance) P-C4' energy: -49.538
flat angles C4'-P-C4' energy: -48.086
flat angles P-C4'-P energy: -43.196
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: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -946.489739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.489739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.489739 (E_RNA)
where:
Base-Base interactions energy: -647.707
where: short stacking energy: -296.411
Base-Backbone interact. energy: -1.068
local terms energy: -297.714582
where:
bonds (distance) C4'-P energy: -51.239
bonds (distance) P-C4' energy: -52.139
flat angles C4'-P-C4' energy: -62.873
flat angles P-C4'-P energy: -44.615
tors. eta vs tors. theta energy: -86.849
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: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -850.788085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.788085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.788085 (E_RNA)
where:
Base-Base interactions energy: -582.667
where: short stacking energy: -245.520
Base-Backbone interact. energy: -0.849
local terms energy: -267.272415
where:
bonds (distance) C4'-P energy: -51.994
bonds (distance) P-C4' energy: -41.640
flat angles C4'-P-C4' energy: -58.824
flat angles P-C4'-P energy: -42.868
tors. eta vs tors. theta energy: -71.946
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: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -815.386786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.386786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.386786 (E_RNA)
where:
Base-Base interactions energy: -560.025
where: short stacking energy: -241.821
Base-Backbone interact. energy: -0.557
local terms energy: -254.804911
where:
bonds (distance) C4'-P energy: -48.230
bonds (distance) P-C4' energy: -47.170
flat angles C4'-P-C4' energy: -52.567
flat angles P-C4'-P energy: -35.883
tors. eta vs tors. theta energy: -70.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -783.483728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.483728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.483728 (E_RNA)
where:
Base-Base interactions energy: -548.544
where: short stacking energy: -230.663
Base-Backbone interact. energy: -0.178
local terms energy: -234.762073
where:
bonds (distance) C4'-P energy: -43.816
bonds (distance) P-C4' energy: -47.144
flat angles C4'-P-C4' energy: -54.577
flat angles P-C4'-P energy: -24.292
tors. eta vs tors. theta energy: -64.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -721.531071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.531071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.531071 (E_RNA)
where:
Base-Base interactions energy: -487.517
where: short stacking energy: -201.556
Base-Backbone interact. energy: -1.568
local terms energy: -232.445478
where:
bonds (distance) C4'-P energy: -55.305
bonds (distance) P-C4' energy: -45.548
flat angles C4'-P-C4' energy: -44.354
flat angles P-C4'-P energy: -30.200
tors. eta vs tors. theta energy: -57.037
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: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -701.499916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.499916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.499916 (E_RNA)
where:
Base-Base interactions energy: -482.148
where: short stacking energy: -186.298
Base-Backbone interact. energy: -1.823
local terms energy: -217.529633
where:
bonds (distance) C4'-P energy: -55.624
bonds (distance) P-C4' energy: -46.442
flat angles C4'-P-C4' energy: -46.143
flat angles P-C4'-P energy: -29.197
tors. eta vs tors. theta energy: -40.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -483.943755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.943755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.943755 (E_RNA)
where:
Base-Base interactions energy: -298.781
where: short stacking energy: -143.243
Base-Backbone interact. energy: -0.543
local terms energy: -184.619106
where:
bonds (distance) C4'-P energy: -46.145
bonds (distance) P-C4' energy: -53.957
flat angles C4'-P-C4' energy: -43.538
flat angles P-C4'-P energy: -24.022
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -226.765455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.765455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.765455 (E_RNA)
where:
Base-Base interactions energy: -88.892
where: short stacking energy: -77.560
Base-Backbone interact. energy: 0.693
local terms energy: -138.566606
where:
bonds (distance) C4'-P energy: -44.467
bonds (distance) P-C4' energy: -51.601
flat angles C4'-P-C4' energy: -27.217
flat angles P-C4'-P energy: -18.976
tors. eta vs tors. theta energy: 3.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -956.042309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.042309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.042309 (E_RNA)
where:
Base-Base interactions energy: -681.862
where: short stacking energy: -271.945
Base-Backbone interact. energy: 0.339
local terms energy: -274.518888
where:
bonds (distance) C4'-P energy: -57.328
bonds (distance) P-C4' energy: -51.913
flat angles C4'-P-C4' energy: -56.993
flat angles P-C4'-P energy: -38.586
tors. eta vs tors. theta energy: -69.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -950.594269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.594269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.594269 (E_RNA)
where:
Base-Base interactions energy: -647.809
where: short stacking energy: -284.073
Base-Backbone interact. energy: 0.491
local terms energy: -303.276244
where:
bonds (distance) C4'-P energy: -56.671
bonds (distance) P-C4' energy: -54.773
flat angles C4'-P-C4' energy: -62.293
flat angles P-C4'-P energy: -45.274
tors. eta vs tors. theta energy: -84.265
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: 9
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -910.767217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.767217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.767217 (E_RNA)
where:
Base-Base interactions energy: -621.104
where: short stacking energy: -268.956
Base-Backbone interact. energy: -2.129
local terms energy: -287.534387
where:
bonds (distance) C4'-P energy: -47.878
bonds (distance) P-C4' energy: -52.847
flat angles C4'-P-C4' energy: -57.434
flat angles P-C4'-P energy: -44.058
tors. eta vs tors. theta energy: -85.317
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: 1
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -868.780821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.780821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.780821 (E_RNA)
where:
Base-Base interactions energy: -613.293
where: short stacking energy: -266.854
Base-Backbone interact. energy: -0.689
local terms energy: -254.798943
where:
bonds (distance) C4'-P energy: -44.009
bonds (distance) P-C4' energy: -42.905
flat angles C4'-P-C4' energy: -57.015
flat angles P-C4'-P energy: -36.203
tors. eta vs tors. theta energy: -74.667
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: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -809.538050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.538050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.538050 (E_RNA)
where:
Base-Base interactions energy: -543.786
where: short stacking energy: -229.097
Base-Backbone interact. energy: -0.287
local terms energy: -265.465231
where:
bonds (distance) C4'-P energy: -57.369
bonds (distance) P-C4' energy: -43.110
flat angles C4'-P-C4' energy: -55.170
flat angles P-C4'-P energy: -38.964
tors. eta vs tors. theta energy: -70.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -807.172572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.172572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.172572 (E_RNA)
where:
Base-Base interactions energy: -546.153
where: short stacking energy: -247.342
Base-Backbone interact. energy: -0.248
local terms energy: -260.771833
where:
bonds (distance) C4'-P energy: -49.822
bonds (distance) P-C4' energy: -50.907
flat angles C4'-P-C4' energy: -55.859
flat angles P-C4'-P energy: -36.953
tors. eta vs tors. theta energy: -67.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -730.793483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.793483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.793483 (E_RNA)
where:
Base-Base interactions energy: -499.293
where: short stacking energy: -210.827
Base-Backbone interact. energy: -0.825
local terms energy: -230.674974
where:
bonds (distance) C4'-P energy: -42.696
bonds (distance) P-C4' energy: -45.090
flat angles C4'-P-C4' energy: -52.374
flat angles P-C4'-P energy: -34.032
tors. eta vs tors. theta energy: -56.483
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: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -687.675231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.675231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.675231 (E_RNA)
where:
Base-Base interactions energy: -477.846
where: short stacking energy: -206.125
Base-Backbone interact. energy: -0.929
local terms energy: -208.900434
where:
bonds (distance) C4'-P energy: -36.354
bonds (distance) P-C4' energy: -47.788
flat angles C4'-P-C4' energy: -41.746
flat angles P-C4'-P energy: -28.554
tors. eta vs tors. theta energy: -54.458
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: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -514.124618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.124618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.124618 (E_RNA)
where:
Base-Base interactions energy: -320.116
where: short stacking energy: -140.536
Base-Backbone interact. energy: -0.833
local terms energy: -193.174826
where:
bonds (distance) C4'-P energy: -36.198
bonds (distance) P-C4' energy: -52.958
flat angles C4'-P-C4' energy: -45.800
flat angles P-C4'-P energy: -27.370
tors. eta vs tors. theta energy: -30.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -223.957324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.957324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.957324 (E_RNA)
where:
Base-Base interactions energy: -75.549
where: short stacking energy: -61.453
Base-Backbone interact. energy: -0.617
local terms energy: -147.791332
where:
bonds (distance) C4'-P energy: -51.354
bonds (distance) P-C4' energy: -51.429
flat angles C4'-P-C4' energy: -30.565
flat angles P-C4'-P energy: -25.112
tors. eta vs tors. theta energy: 10.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -966.757077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.757077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.757077 (E_RNA)
where:
Base-Base interactions energy: -673.261
where: short stacking energy: -293.115
Base-Backbone interact. energy: 0.138
local terms energy: -293.634160
where:
bonds (distance) C4'-P energy: -52.889
bonds (distance) P-C4' energy: -55.990
flat angles C4'-P-C4' energy: -61.603
flat angles P-C4'-P energy: -34.122
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: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -936.880321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.880321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.880321 (E_RNA)
where:
Base-Base interactions energy: -645.114
where: short stacking energy: -265.480
Base-Backbone interact. energy: 0.275
local terms energy: -292.041949
where:
bonds (distance) C4'-P energy: -52.010
bonds (distance) P-C4' energy: -59.503
flat angles C4'-P-C4' energy: -58.230
flat angles P-C4'-P energy: -48.150
tors. eta vs tors. theta energy: -74.149
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: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -918.381925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.381925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.381925 (E_RNA)
where:
Base-Base interactions energy: -636.436
where: short stacking energy: -264.348
Base-Backbone interact. energy: -1.554
local terms energy: -280.392478
where:
bonds (distance) C4'-P energy: -54.346
bonds (distance) P-C4' energy: -50.169
flat angles C4'-P-C4' energy: -59.185
flat angles P-C4'-P energy: -38.084
tors. eta vs tors. theta energy: -78.608
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: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -851.674633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.674633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.674633 (E_RNA)
where:
Base-Base interactions energy: -586.098
where: short stacking energy: -247.598
Base-Backbone interact. energy: 0.367
local terms energy: -265.944001
where:
bonds (distance) C4'-P energy: -45.806
bonds (distance) P-C4' energy: -50.139
flat angles C4'-P-C4' energy: -55.680
flat angles P-C4'-P energy: -42.796
tors. eta vs tors. theta energy: -71.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -815.655703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.655703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.655703 (E_RNA)
where:
Base-Base interactions energy: -569.291
where: short stacking energy: -247.606
Base-Backbone interact. energy: -0.312
local terms energy: -246.053478
where:
bonds (distance) C4'-P energy: -50.191
bonds (distance) P-C4' energy: -38.873
flat angles C4'-P-C4' energy: -52.265
flat angles P-C4'-P energy: -34.604
tors. eta vs tors. theta energy: -70.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -792.129596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.129596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.129596 (E_RNA)
where:
Base-Base interactions energy: -550.972
where: short stacking energy: -232.516
Base-Backbone interact. energy: -0.320
local terms energy: -240.838052
where:
bonds (distance) C4'-P energy: -35.319
bonds (distance) P-C4' energy: -48.933
flat angles C4'-P-C4' energy: -50.385
flat angles P-C4'-P energy: -37.395
tors. eta vs tors. theta energy: -68.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -736.293898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.293898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.293898 (E_RNA)
where:
Base-Base interactions energy: -501.064
where: short stacking energy: -208.850
Base-Backbone interact. energy: 0.623
local terms energy: -235.852488
where:
bonds (distance) C4'-P energy: -35.435
bonds (distance) P-C4' energy: -45.742
flat angles C4'-P-C4' energy: -64.582
flat angles P-C4'-P energy: -33.527
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: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -696.668230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.668230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.668230 (E_RNA)
where:
Base-Base interactions energy: -477.156
where: short stacking energy: -189.392
Base-Backbone interact. energy: -1.065
local terms energy: -218.447049
where:
bonds (distance) C4'-P energy: -42.896
bonds (distance) P-C4' energy: -47.851
flat angles C4'-P-C4' energy: -54.550
flat angles P-C4'-P energy: -21.307
tors. eta vs tors. theta energy: -51.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -494.699587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.699587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.699587 (E_RNA)
where:
Base-Base interactions energy: -298.737
where: short stacking energy: -138.339
Base-Backbone interact. energy: -1.073
local terms energy: -194.889479
where:
bonds (distance) C4'-P energy: -40.573
bonds (distance) P-C4' energy: -45.869
flat angles C4'-P-C4' energy: -49.218
flat angles P-C4'-P energy: -28.118
tors. eta vs tors. theta energy: -31.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -213.691022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.691022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.691022 (E_RNA)
where:
Base-Base interactions energy: -84.050
where: short stacking energy: -67.860
Base-Backbone interact. energy: -0.700
local terms energy: -128.941611
where:
bonds (distance) C4'-P energy: -35.003
bonds (distance) P-C4' energy: -43.738
flat angles C4'-P-C4' energy: -46.258
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: 5.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -981.428504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.428504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.428504 (E_RNA)
where:
Base-Base interactions energy: -672.330
where: short stacking energy: -299.478
Base-Backbone interact. energy: -1.037
local terms energy: -308.061982
where:
bonds (distance) C4'-P energy: -55.894
bonds (distance) P-C4' energy: -60.054
flat angles C4'-P-C4' energy: -59.565
flat angles P-C4'-P energy: -43.922
tors. eta vs tors. theta energy: -88.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -943.555763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.555763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.555763 (E_RNA)
where:
Base-Base interactions energy: -661.807
where: short stacking energy: -280.517
Base-Backbone interact. energy: -0.546
local terms energy: -281.202360
where:
bonds (distance) C4'-P energy: -47.098
bonds (distance) P-C4' energy: -50.609
flat angles C4'-P-C4' energy: -64.295
flat angles P-C4'-P energy: -35.447
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: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -919.484618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.484618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.484618 (E_RNA)
where:
Base-Base interactions energy: -634.833
where: short stacking energy: -272.205
Base-Backbone interact. energy: -1.400
local terms energy: -283.252163
where:
bonds (distance) C4'-P energy: -48.448
bonds (distance) P-C4' energy: -52.195
flat angles C4'-P-C4' energy: -64.121
flat angles P-C4'-P energy: -35.257
tors. eta vs tors. theta energy: -83.231
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: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -855.426043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.426043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.426043 (E_RNA)
where:
Base-Base interactions energy: -587.714
where: short stacking energy: -249.664
Base-Backbone interact. energy: -0.934
local terms energy: -266.778652
where:
bonds (distance) C4'-P energy: -42.295
bonds (distance) P-C4' energy: -58.749
flat angles C4'-P-C4' energy: -57.374
flat angles P-C4'-P energy: -36.854
tors. eta vs tors. theta energy: -71.506
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: 301
Temperature: 1.100000
Total energy: -814.394499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.394499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.394499 (E_RNA)
where:
Base-Base interactions energy: -556.266
where: short stacking energy: -232.735
Base-Backbone interact. energy: -1.316
local terms energy: -256.812616
where:
bonds (distance) C4'-P energy: -48.840
bonds (distance) P-C4' energy: -52.227
flat angles C4'-P-C4' energy: -54.670
flat angles P-C4'-P energy: -34.449
tors. eta vs tors. theta energy: -66.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -771.828425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.828425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.828425 (E_RNA)
where:
Base-Base interactions energy: -552.988
where: short stacking energy: -226.850
Base-Backbone interact. energy: 2.199
local terms energy: -221.039319
where:
bonds (distance) C4'-P energy: -31.722
bonds (distance) P-C4' energy: -37.978
flat angles C4'-P-C4' energy: -53.548
flat angles P-C4'-P energy: -36.264
tors. eta vs tors. theta energy: -61.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -739.365678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.365678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.365678 (E_RNA)
where:
Base-Base interactions energy: -505.967
where: short stacking energy: -205.970
Base-Backbone interact. energy: -0.611
local terms energy: -232.787246
where:
bonds (distance) C4'-P energy: -48.236
bonds (distance) P-C4' energy: -43.701
flat angles C4'-P-C4' energy: -50.967
flat angles P-C4'-P energy: -30.165
tors. eta vs tors. theta energy: -59.717
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: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -665.194986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.194986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.194986 (E_RNA)
where:
Base-Base interactions energy: -462.470
where: short stacking energy: -199.431
Base-Backbone interact. energy: -0.059
local terms energy: -202.666117
where:
bonds (distance) C4'-P energy: -42.857
bonds (distance) P-C4' energy: -36.099
flat angles C4'-P-C4' energy: -45.964
flat angles P-C4'-P energy: -41.503
tors. eta vs tors. theta energy: -36.242
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: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -502.812896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.812896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.812896 (E_RNA)
where:
Base-Base interactions energy: -323.900
where: short stacking energy: -137.363
Base-Backbone interact. energy: -0.003
local terms energy: -178.909560
where:
bonds (distance) C4'-P energy: -41.713
bonds (distance) P-C4' energy: -42.371
flat angles C4'-P-C4' energy: -34.962
flat angles P-C4'-P energy: -34.715
tors. eta vs tors. theta energy: -25.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -233.666342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.666342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.666342 (E_RNA)
where:
Base-Base interactions energy: -87.804
where: short stacking energy: -73.539
Base-Backbone interact. energy: -0.469
local terms energy: -145.393178
where:
bonds (distance) C4'-P energy: -46.234
bonds (distance) P-C4' energy: -44.815
flat angles C4'-P-C4' energy: -42.058
flat angles P-C4'-P energy: -22.842
tors. eta vs tors. theta energy: 10.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -969.020745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.020745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.020745 (E_RNA)
where:
Base-Base interactions energy: -666.929
where: short stacking energy: -290.167
Base-Backbone interact. energy: -0.044
local terms energy: -302.047903
where:
bonds (distance) C4'-P energy: -56.181
bonds (distance) P-C4' energy: -56.987
flat angles C4'-P-C4' energy: -54.060
flat angles P-C4'-P energy: -45.879
tors. eta vs tors. theta energy: -88.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -930.214396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.214396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.214396 (E_RNA)
where:
Base-Base interactions energy: -641.763
where: short stacking energy: -286.347
Base-Backbone interact. energy: -1.221
local terms energy: -287.230300
where:
bonds (distance) C4'-P energy: -47.099
bonds (distance) P-C4' energy: -50.427
flat angles C4'-P-C4' energy: -62.654
flat angles P-C4'-P energy: -35.335
tors. eta vs tors. theta energy: -91.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -919.478058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.478058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.478058 (E_RNA)
where:
Base-Base interactions energy: -641.233
where: short stacking energy: -278.144
Base-Backbone interact. energy: -0.038
local terms energy: -278.206611
where:
bonds (distance) C4'-P energy: -46.564
bonds (distance) P-C4' energy: -54.932
flat angles C4'-P-C4' energy: -58.732
flat angles P-C4'-P energy: -32.594
tors. eta vs tors. theta energy: -85.384
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: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -856.373725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.373725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.373725 (E_RNA)
where:
Base-Base interactions energy: -597.435
where: short stacking energy: -270.174
Base-Backbone interact. energy: -0.614
local terms energy: -258.324609
where:
bonds (distance) C4'-P energy: -40.463
bonds (distance) P-C4' energy: -43.159
flat angles C4'-P-C4' energy: -54.312
flat angles P-C4'-P energy: -40.157
tors. eta vs tors. theta energy: -80.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -809.561839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.561839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.561839 (E_RNA)
where:
Base-Base interactions energy: -554.385
where: short stacking energy: -245.458
Base-Backbone interact. energy: -0.678
local terms energy: -254.498595
where:
bonds (distance) C4'-P energy: -47.195
bonds (distance) P-C4' energy: -45.652
flat angles C4'-P-C4' energy: -56.483
flat angles P-C4'-P energy: -43.732
tors. eta vs tors. theta energy: -61.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -791.589244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.589244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.589244 (E_RNA)
where:
Base-Base interactions energy: -528.943
where: short stacking energy: -219.725
Base-Backbone interact. energy: -0.143
local terms energy: -262.502922
where:
bonds (distance) C4'-P energy: -53.672
bonds (distance) P-C4' energy: -47.233
flat angles C4'-P-C4' energy: -54.302
flat angles P-C4'-P energy: -42.151
tors. eta vs tors. theta energy: -65.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -674.713861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.713861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.713861 (E_RNA)
where:
Base-Base interactions energy: -451.804
where: short stacking energy: -182.410
Base-Backbone interact. energy: -0.890
local terms energy: -222.019900
where:
bonds (distance) C4'-P energy: -35.339
bonds (distance) P-C4' energy: -52.765
flat angles C4'-P-C4' energy: -57.310
flat angles P-C4'-P energy: -33.688
tors. eta vs tors. theta energy: -42.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -736.752145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.752145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.752145 (E_RNA)
where:
Base-Base interactions energy: -506.041
where: short stacking energy: -213.143
Base-Backbone interact. energy: -1.045
local terms energy: -229.666880
where:
bonds (distance) C4'-P energy: -44.251
bonds (distance) P-C4' energy: -47.016
flat angles C4'-P-C4' energy: -46.575
flat angles P-C4'-P energy: -31.967
tors. eta vs tors. theta energy: -59.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -402.661087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.661087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.661087 (E_RNA)
where:
Base-Base interactions energy: -250.877
where: short stacking energy: -120.370
Base-Backbone interact. energy: 1.548
local terms energy: -153.332419
where:
bonds (distance) C4'-P energy: -45.544
bonds (distance) P-C4' energy: -37.484
flat angles C4'-P-C4' energy: -33.371
flat angles P-C4'-P energy: -30.439
tors. eta vs tors. theta energy: -6.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -229.718085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.718085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.718085 (E_RNA)
where:
Base-Base interactions energy: -69.876
where: short stacking energy: -54.537
Base-Backbone interact. energy: 2.509
local terms energy: -162.350624
where:
bonds (distance) C4'-P energy: -46.377
bonds (distance) P-C4' energy: -47.962
flat angles C4'-P-C4' energy: -50.339
flat angles P-C4'-P energy: -25.172
tors. eta vs tors. theta energy: 7.500
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: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -960.520652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.520652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.520652 (E_RNA)
where:
Base-Base interactions energy: -659.749
where: short stacking energy: -285.841
Base-Backbone interact. energy: -0.362
local terms energy: -300.410290
where:
bonds (distance) C4'-P energy: -61.222
bonds (distance) P-C4' energy: -50.558
flat angles C4'-P-C4' energy: -61.280
flat angles P-C4'-P energy: -39.125
tors. eta vs tors. theta energy: -88.225
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: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -940.081339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.081339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.081339 (E_RNA)
where:
Base-Base interactions energy: -645.231
where: short stacking energy: -282.007
Base-Backbone interact. energy: -0.736
local terms energy: -294.114729
where:
bonds (distance) C4'-P energy: -52.860
bonds (distance) P-C4' energy: -55.096
flat angles C4'-P-C4' energy: -60.031
flat angles P-C4'-P energy: -38.769
tors. eta vs tors. theta energy: -87.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -917.501250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.501250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.501250 (E_RNA)
where:
Base-Base interactions energy: -640.384
where: short stacking energy: -260.611
Base-Backbone interact. energy: -1.431
local terms energy: -275.685805
where:
bonds (distance) C4'-P energy: -47.064
bonds (distance) P-C4' energy: -50.969
flat angles C4'-P-C4' energy: -59.059
flat angles P-C4'-P energy: -38.801
tors. eta vs tors. theta energy: -79.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -881.503994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.503994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.503994 (E_RNA)
where:
Base-Base interactions energy: -608.384
where: short stacking energy: -277.784
Base-Backbone interact. energy: -1.203
local terms energy: -271.916671
where:
bonds (distance) C4'-P energy: -53.778
bonds (distance) P-C4' energy: -41.996
flat angles C4'-P-C4' energy: -55.456
flat angles P-C4'-P energy: -38.424
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: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -822.159160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.159160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.159160 (E_RNA)
where:
Base-Base interactions energy: -602.559
where: short stacking energy: -259.291
Base-Backbone interact. energy: -0.361
local terms energy: -219.239051
where:
bonds (distance) C4'-P energy: -39.593
bonds (distance) P-C4' energy: -38.425
flat angles C4'-P-C4' energy: -43.036
flat angles P-C4'-P energy: -31.581
tors. eta vs tors. theta energy: -66.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -768.024183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.024183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.024183 (E_RNA)
where:
Base-Base interactions energy: -532.761
where: short stacking energy: -224.836
Base-Backbone interact. energy: -1.251
local terms energy: -234.011721
where:
bonds (distance) C4'-P energy: -44.748
bonds (distance) P-C4' energy: -41.085
flat angles C4'-P-C4' energy: -53.778
flat angles P-C4'-P energy: -32.555
tors. eta vs tors. theta energy: -61.846
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: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -672.408104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.408104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.408104 (E_RNA)
where:
Base-Base interactions energy: -461.347
where: short stacking energy: -200.965
Base-Backbone interact. energy: 2.731
local terms energy: -213.792146
where:
bonds (distance) C4'-P energy: -48.839
bonds (distance) P-C4' energy: -45.764
flat angles C4'-P-C4' energy: -44.914
flat angles P-C4'-P energy: -32.885
tors. eta vs tors. theta energy: -41.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -714.349351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.349351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.349351 (E_RNA)
where:
Base-Base interactions energy: -496.963
where: short stacking energy: -211.979
Base-Backbone interact. energy: 4.540
local terms energy: -221.926103
where:
bonds (distance) C4'-P energy: -39.862
bonds (distance) P-C4' energy: -43.112
flat angles C4'-P-C4' energy: -55.918
flat angles P-C4'-P energy: -33.718
tors. eta vs tors. theta energy: -49.317
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: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -392.435207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.435207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.435207 (E_RNA)
where:
Base-Base interactions energy: -228.141
where: short stacking energy: -116.306
Base-Backbone interact. energy: 0.406
local terms energy: -164.699920
where:
bonds (distance) C4'-P energy: -44.696
bonds (distance) P-C4' energy: -39.668
flat angles C4'-P-C4' energy: -44.393
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -22.806
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: 10, replica: 8
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -240.626537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.626537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.626537 (E_RNA)
where:
Base-Base interactions energy: -81.250
where: short stacking energy: -80.983
Base-Backbone interact. energy: 0.413
local terms energy: -159.790066
where:
bonds (distance) C4'-P energy: -47.420
bonds (distance) P-C4' energy: -44.136
flat angles C4'-P-C4' energy: -34.490
flat angles P-C4'-P energy: -23.614
tors. eta vs tors. theta energy: -10.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -962.474776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.474776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.474776 (E_RNA)
where:
Base-Base interactions energy: -657.286
where: short stacking energy: -290.789
Base-Backbone interact. energy: -1.203
local terms energy: -303.986041
where:
bonds (distance) C4'-P energy: -51.511
bonds (distance) P-C4' energy: -56.170
flat angles C4'-P-C4' energy: -63.019
flat angles P-C4'-P energy: -43.873
tors. eta vs tors. theta energy: -89.413
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: 2, replica: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -939.700668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.700668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.700668 (E_RNA)
where:
Base-Base interactions energy: -652.964
where: short stacking energy: -289.149
Base-Backbone interact. energy: 1.230
local terms energy: -287.966875
where:
bonds (distance) C4'-P energy: -51.312
bonds (distance) P-C4' energy: -59.529
flat angles C4'-P-C4' energy: -54.143
flat angles P-C4'-P energy: -39.385
tors. eta vs tors. theta energy: -83.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -926.568838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.568838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.568838 (E_RNA)
where:
Base-Base interactions energy: -643.909
where: short stacking energy: -259.902
Base-Backbone interact. energy: -0.987
local terms energy: -281.672828
where:
bonds (distance) C4'-P energy: -54.182
bonds (distance) P-C4' energy: -54.767
flat angles C4'-P-C4' energy: -53.663
flat angles P-C4'-P energy: -40.965
tors. eta vs tors. theta energy: -78.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -869.439663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.439663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.439663 (E_RNA)
where:
Base-Base interactions energy: -582.583
where: short stacking energy: -262.951
Base-Backbone interact. energy: -0.613
local terms energy: -286.244300
where:
bonds (distance) C4'-P energy: -46.080
bonds (distance) P-C4' energy: -52.508
flat angles C4'-P-C4' energy: -57.625
flat angles P-C4'-P energy: -43.029
tors. eta vs tors. theta energy: -87.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -797.045735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.045735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.045735 (E_RNA)
where:
Base-Base interactions energy: -520.400
where: short stacking energy: -234.595
Base-Backbone interact. energy: 0.001
local terms energy: -276.646777
where:
bonds (distance) C4'-P energy: -46.256
bonds (distance) P-C4' energy: -61.207
flat angles C4'-P-C4' energy: -54.967
flat angles P-C4'-P energy: -44.224
tors. eta vs tors. theta energy: -69.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -794.972064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.972064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.972064 (E_RNA)
where:
Base-Base interactions energy: -540.368
where: short stacking energy: -241.746
Base-Backbone interact. energy: -0.047
local terms energy: -254.556636
where:
bonds (distance) C4'-P energy: -50.021
bonds (distance) P-C4' energy: -49.117
flat angles C4'-P-C4' energy: -45.281
flat angles P-C4'-P energy: -36.669
tors. eta vs tors. theta energy: -73.467
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: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -734.730495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.730495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.730495 (E_RNA)
where:
Base-Base interactions energy: -498.809
where: short stacking energy: -202.424
Base-Backbone interact. energy: -1.340
local terms energy: -234.581283
where:
bonds (distance) C4'-P energy: -44.117
bonds (distance) P-C4' energy: -53.764
flat angles C4'-P-C4' energy: -54.863
flat angles P-C4'-P energy: -36.044
tors. eta vs tors. theta energy: -45.793
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: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -660.547661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.547661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.547661 (E_RNA)
where:
Base-Base interactions energy: -446.644
where: short stacking energy: -185.354
Base-Backbone interact. energy: -0.941
local terms energy: -212.963179
where:
bonds (distance) C4'-P energy: -45.458
bonds (distance) P-C4' energy: -45.774
flat angles C4'-P-C4' energy: -49.013
flat angles P-C4'-P energy: -32.500
tors. eta vs tors. theta energy: -40.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -405.936851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.936851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.936851 (E_RNA)
where:
Base-Base interactions energy: -235.024
where: short stacking energy: -105.749
Base-Backbone interact. energy: 0.428
local terms energy: -171.340524
where:
bonds (distance) C4'-P energy: -33.517
bonds (distance) P-C4' energy: -51.081
flat angles C4'-P-C4' energy: -40.467
flat angles P-C4'-P energy: -26.507
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -215.416451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.416451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.416451 (E_RNA)
where:
Base-Base interactions energy: -78.875
where: short stacking energy: -51.236
Base-Backbone interact. energy: -0.956
local terms energy: -135.586202
where:
bonds (distance) C4'-P energy: -36.964
bonds (distance) P-C4' energy: -51.211
flat angles C4'-P-C4' energy: -44.068
flat angles P-C4'-P energy: -22.236
tors. eta vs tors. theta energy: 18.893
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: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -967.229972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.229972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.229972 (E_RNA)
where:
Base-Base interactions energy: -670.200
where: short stacking energy: -301.036
Base-Backbone interact. energy: -1.276
local terms energy: -295.753978
where:
bonds (distance) C4'-P energy: -55.414
bonds (distance) P-C4' energy: -47.214
flat angles C4'-P-C4' energy: -61.342
flat angles P-C4'-P energy: -42.064
tors. eta vs tors. theta energy: -89.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -943.870680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.870680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.870680 (E_RNA)
where:
Base-Base interactions energy: -665.404
where: short stacking energy: -264.185
Base-Backbone interact. energy: -1.680
local terms energy: -276.787005
where:
bonds (distance) C4'-P energy: -51.592
bonds (distance) P-C4' energy: -47.028
flat angles C4'-P-C4' energy: -56.837
flat angles P-C4'-P energy: -43.310
tors. eta vs tors. theta energy: -78.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -921.972203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.972203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.972203 (E_RNA)
where:
Base-Base interactions energy: -629.165
where: short stacking energy: -275.396
Base-Backbone interact. energy: -1.409
local terms energy: -291.398244
where:
bonds (distance) C4'-P energy: -51.342
bonds (distance) P-C4' energy: -52.578
flat angles C4'-P-C4' energy: -61.682
flat angles P-C4'-P energy: -39.699
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: 4, replica: 1
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -846.936513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.936513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.936513 (E_RNA)
where:
Base-Base interactions energy: -573.573
where: short stacking energy: -230.295
Base-Backbone interact. energy: -0.280
local terms energy: -273.083806
where:
bonds (distance) C4'-P energy: -55.525
bonds (distance) P-C4' energy: -54.681
flat angles C4'-P-C4' energy: -61.122
flat angles P-C4'-P energy: -37.761
tors. eta vs tors. theta energy: -63.995
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: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -803.826863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.826863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.826863 (E_RNA)
where:
Base-Base interactions energy: -538.400
where: short stacking energy: -241.239
Base-Backbone interact. energy: -0.936
local terms energy: -264.491562
where:
bonds (distance) C4'-P energy: -52.038
bonds (distance) P-C4' energy: -53.975
flat angles C4'-P-C4' energy: -59.143
flat angles P-C4'-P energy: -30.480
tors. eta vs tors. theta energy: -68.856
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: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -795.966826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.966826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.966826 (E_RNA)
where:
Base-Base interactions energy: -549.465
where: short stacking energy: -245.104
Base-Backbone interact. energy: 1.976
local terms energy: -248.477496
where:
bonds (distance) C4'-P energy: -53.087
bonds (distance) P-C4' energy: -40.676
flat angles C4'-P-C4' energy: -61.011
flat angles P-C4'-P energy: -27.596
tors. eta vs tors. theta energy: -66.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -769.261717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.261717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.261717 (E_RNA)
where:
Base-Base interactions energy: -542.940
where: short stacking energy: -210.538
Base-Backbone interact. energy: -0.848
local terms energy: -225.474311
where:
bonds (distance) C4'-P energy: -46.989
bonds (distance) P-C4' energy: -44.777
flat angles C4'-P-C4' energy: -45.807
flat angles P-C4'-P energy: -33.899
tors. eta vs tors. theta energy: -54.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -699.314776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.314776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.314776 (E_RNA)
where:
Base-Base interactions energy: -482.079
where: short stacking energy: -195.035
Base-Backbone interact. energy: -0.161
local terms energy: -217.075221
where:
bonds (distance) C4'-P energy: -37.825
bonds (distance) P-C4' energy: -47.631
flat angles C4'-P-C4' energy: -57.435
flat angles P-C4'-P energy: -28.479
tors. eta vs tors. theta energy: -45.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -360.139147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.139147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.139147 (E_RNA)
where:
Base-Base interactions energy: -198.642
where: short stacking energy: -93.985
Base-Backbone interact. energy: 1.616
local terms energy: -163.113078
where:
bonds (distance) C4'-P energy: -40.549
bonds (distance) P-C4' energy: -43.603
flat angles C4'-P-C4' energy: -39.502
flat angles P-C4'-P energy: -32.727
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: 10, replica: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -217.956490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.956490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.956490 (E_RNA)
where:
Base-Base interactions energy: -71.117
where: short stacking energy: -48.555
Base-Backbone interact. energy: -1.145
local terms energy: -145.694142
where:
bonds (distance) C4'-P energy: -29.537
bonds (distance) P-C4' energy: -49.635
flat angles C4'-P-C4' energy: -44.190
flat angles P-C4'-P energy: -25.995
tors. eta vs tors. theta energy: 3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -974.348258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.348258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.348258 (E_RNA)
where:
Base-Base interactions energy: -677.283
where: short stacking energy: -298.834
Base-Backbone interact. energy: -1.221
local terms energy: -295.843922
where:
bonds (distance) C4'-P energy: -48.213
bonds (distance) P-C4' energy: -55.903
flat angles C4'-P-C4' energy: -61.346
flat angles P-C4'-P energy: -43.826
tors. eta vs tors. theta energy: -86.556
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: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -925.952478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.952478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.952478 (E_RNA)
where:
Base-Base interactions energy: -659.214
where: short stacking energy: -283.966
Base-Backbone interact. energy: -0.951
local terms energy: -265.787258
where:
bonds (distance) C4'-P energy: -48.103
bonds (distance) P-C4' energy: -38.038
flat angles C4'-P-C4' energy: -58.366
flat angles P-C4'-P energy: -35.706
tors. eta vs tors. theta energy: -85.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -930.470117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.470117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.470117 (E_RNA)
where:
Base-Base interactions energy: -650.715
where: short stacking energy: -269.192
Base-Backbone interact. energy: -1.525
local terms energy: -278.229584
where:
bonds (distance) C4'-P energy: -49.689
bonds (distance) P-C4' energy: -51.044
flat angles C4'-P-C4' energy: -60.239
flat angles P-C4'-P energy: -36.907
tors. eta vs tors. theta energy: -80.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -853.487354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.487354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.487354 (E_RNA)
where:
Base-Base interactions energy: -584.971
where: short stacking energy: -253.396
Base-Backbone interact. energy: -0.191
local terms energy: -268.325672
where:
bonds (distance) C4'-P energy: -47.174
bonds (distance) P-C4' energy: -53.104
flat angles C4'-P-C4' energy: -58.104
flat angles P-C4'-P energy: -42.677
tors. eta vs tors. theta energy: -67.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -837.116231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.116231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.116231 (E_RNA)
where:
Base-Base interactions energy: -581.307
where: short stacking energy: -250.112
Base-Backbone interact. energy: 1.180
local terms energy: -256.989117
where:
bonds (distance) C4'-P energy: -52.578
bonds (distance) P-C4' energy: -36.610
flat angles C4'-P-C4' energy: -57.170
flat angles P-C4'-P energy: -35.133
tors. eta vs tors. theta energy: -75.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -777.766909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.766909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.766909 (E_RNA)
where:
Base-Base interactions energy: -521.408
where: short stacking energy: -222.059
Base-Backbone interact. energy: -0.680
local terms energy: -255.678872
where:
bonds (distance) C4'-P energy: -48.810
bonds (distance) P-C4' energy: -57.042
flat angles C4'-P-C4' energy: -52.780
flat angles P-C4'-P energy: -38.263
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: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -751.680283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.680283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.680283 (E_RNA)
where:
Base-Base interactions energy: -509.260
where: short stacking energy: -226.543
Base-Backbone interact. energy: -1.321
local terms energy: -241.099649
where:
bonds (distance) C4'-P energy: -51.404
bonds (distance) P-C4' energy: -50.812
flat angles C4'-P-C4' energy: -58.427
flat angles P-C4'-P energy: -19.895
tors. eta vs tors. theta energy: -60.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -712.480978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.480978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.480978 (E_RNA)
where:
Base-Base interactions energy: -502.364
where: short stacking energy: -195.478
Base-Backbone interact. energy: 0.121
local terms energy: -210.238153
where:
bonds (distance) C4'-P energy: -38.703
bonds (distance) P-C4' energy: -45.995
flat angles C4'-P-C4' energy: -48.269
flat angles P-C4'-P energy: -30.828
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: 10
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -398.748290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.748290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.748290 (E_RNA)
where:
Base-Base interactions energy: -218.308
where: short stacking energy: -104.897
Base-Backbone interact. energy: -0.039
local terms energy: -180.401138
where:
bonds (distance) C4'-P energy: -49.555
bonds (distance) P-C4' energy: -45.283
flat angles C4'-P-C4' energy: -39.487
flat angles P-C4'-P energy: -33.009
tors. eta vs tors. theta energy: -13.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -235.323749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.323749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.323749 (E_RNA)
where:
Base-Base interactions energy: -79.253
where: short stacking energy: -74.266
Base-Backbone interact. energy: 1.346
local terms energy: -157.417025
where:
bonds (distance) C4'-P energy: -42.262
bonds (distance) P-C4' energy: -56.356
flat angles C4'-P-C4' energy: -39.956
flat angles P-C4'-P energy: -19.226
tors. eta vs tors. theta energy: 0.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -954.684448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.684448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.684448 (E_RNA)
where:
Base-Base interactions energy: -650.838
where: short stacking energy: -276.666
Base-Backbone interact. energy: -1.622
local terms energy: -302.224134
where:
bonds (distance) C4'-P energy: -56.260
bonds (distance) P-C4' energy: -59.096
flat angles C4'-P-C4' energy: -66.177
flat angles P-C4'-P energy: -40.331
tors. eta vs tors. theta energy: -80.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -943.827546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.827546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.827546 (E_RNA)
where:
Base-Base interactions energy: -655.797
where: short stacking energy: -280.432
Base-Backbone interact. energy: -2.025
local terms energy: -286.005496
where:
bonds (distance) C4'-P energy: -56.052
bonds (distance) P-C4' energy: -55.172
flat angles C4'-P-C4' energy: -58.162
flat angles P-C4'-P energy: -34.138
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: 9
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -929.395986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.395986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.395986 (E_RNA)
where:
Base-Base interactions energy: -650.246
where: short stacking energy: -269.828
Base-Backbone interact. energy: 0.731
local terms energy: -279.881630
where:
bonds (distance) C4'-P energy: -46.444
bonds (distance) P-C4' energy: -49.074
flat angles C4'-P-C4' energy: -59.336
flat angles P-C4'-P energy: -37.097
tors. eta vs tors. theta energy: -87.931
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: 4, replica: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -839.714720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.714720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.714720 (E_RNA)
where:
Base-Base interactions energy: -573.915
where: short stacking energy: -231.425
Base-Backbone interact. energy: 0.808
local terms energy: -266.608338
where:
bonds (distance) C4'-P energy: -59.445
bonds (distance) P-C4' energy: -51.724
flat angles C4'-P-C4' energy: -50.637
flat angles P-C4'-P energy: -45.995
tors. eta vs tors. theta energy: -58.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -817.066066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.066066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.066066 (E_RNA)
where:
Base-Base interactions energy: -568.932
where: short stacking energy: -240.204
Base-Backbone interact. energy: -0.749
local terms energy: -247.385490
where:
bonds (distance) C4'-P energy: -42.948
bonds (distance) P-C4' energy: -44.915
flat angles C4'-P-C4' energy: -57.629
flat angles P-C4'-P energy: -40.099
tors. eta vs tors. theta energy: -61.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -778.190206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.190206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.190206 (E_RNA)
where:
Base-Base interactions energy: -539.166
where: short stacking energy: -224.063
Base-Backbone interact. energy: -0.410
local terms energy: -238.613564
where:
bonds (distance) C4'-P energy: -45.302
bonds (distance) P-C4' energy: -51.250
flat angles C4'-P-C4' energy: -46.128
flat angles P-C4'-P energy: -31.301
tors. eta vs tors. theta energy: -64.633
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: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -782.980672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.980672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.980672 (E_RNA)
where:
Base-Base interactions energy: -527.634
where: short stacking energy: -223.435
Base-Backbone interact. energy: -0.221
local terms energy: -255.125920
where:
bonds (distance) C4'-P energy: -50.163
bonds (distance) P-C4' energy: -49.370
flat angles C4'-P-C4' energy: -54.084
flat angles P-C4'-P energy: -36.652
tors. eta vs tors. theta energy: -64.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -741.762493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.762493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.762493 (E_RNA)
where:
Base-Base interactions energy: -503.782
where: short stacking energy: -216.340
Base-Backbone interact. energy: -0.898
local terms energy: -237.082103
where:
bonds (distance) C4'-P energy: -34.748
bonds (distance) P-C4' energy: -55.241
flat angles C4'-P-C4' energy: -48.506
flat angles P-C4'-P energy: -38.276
tors. eta vs tors. theta energy: -60.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -368.014399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.014399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.014399 (E_RNA)
where:
Base-Base interactions energy: -209.299
where: short stacking energy: -103.556
Base-Backbone interact. energy: 2.216
local terms energy: -160.932187
where:
bonds (distance) C4'-P energy: -46.136
bonds (distance) P-C4' energy: -44.444
flat angles C4'-P-C4' energy: -41.511
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -15.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -225.863742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.863742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.863742 (E_RNA)
where:
Base-Base interactions energy: -79.918
where: short stacking energy: -66.510
Base-Backbone interact. energy: 0.254
local terms energy: -146.200104
where:
bonds (distance) C4'-P energy: -42.963
bonds (distance) P-C4' energy: -37.566
flat angles C4'-P-C4' energy: -26.502
flat angles P-C4'-P energy: -32.874
tors. eta vs tors. theta energy: -6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -969.548121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.548121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.548121 (E_RNA)
where:
Base-Base interactions energy: -683.589
where: short stacking energy: -290.231
Base-Backbone interact. energy: 0.090
local terms energy: -286.048346
where:
bonds (distance) C4'-P energy: -52.533
bonds (distance) P-C4' energy: -46.833
flat angles C4'-P-C4' energy: -59.803
flat angles P-C4'-P energy: -42.173
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: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -936.407207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.407207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.407207 (E_RNA)
where:
Base-Base interactions energy: -645.889
where: short stacking energy: -263.927
Base-Backbone interact. energy: -1.766
local terms energy: -288.752079
where:
bonds (distance) C4'-P energy: -57.687
bonds (distance) P-C4' energy: -53.246
flat angles C4'-P-C4' energy: -63.040
flat angles P-C4'-P energy: -41.473
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: 3, replica: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -917.088045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.088045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.088045 (E_RNA)
where:
Base-Base interactions energy: -639.394
where: short stacking energy: -270.837
Base-Backbone interact. energy: 0.293
local terms energy: -277.987131
where:
bonds (distance) C4'-P energy: -49.407
bonds (distance) P-C4' energy: -56.201
flat angles C4'-P-C4' energy: -57.874
flat angles P-C4'-P energy: -33.167
tors. eta vs tors. theta energy: -81.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -842.482858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.482858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.482858 (E_RNA)
where:
Base-Base interactions energy: -556.956
where: short stacking energy: -232.627
Base-Backbone interact. energy: -0.341
local terms energy: -285.185388
where:
bonds (distance) C4'-P energy: -52.485
bonds (distance) P-C4' energy: -52.989
flat angles C4'-P-C4' energy: -60.676
flat angles P-C4'-P energy: -43.247
tors. eta vs tors. theta energy: -75.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -848.125485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.125485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.125485 (E_RNA)
where:
Base-Base interactions energy: -578.402
where: short stacking energy: -244.424
Base-Backbone interact. energy: -0.374
local terms energy: -269.349547
where:
bonds (distance) C4'-P energy: -48.714
bonds (distance) P-C4' energy: -52.631
flat angles C4'-P-C4' energy: -53.453
flat angles P-C4'-P energy: -36.890
tors. eta vs tors. theta energy: -77.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -771.667579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.667579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.667579 (E_RNA)
where:
Base-Base interactions energy: -519.466
where: short stacking energy: -227.899
Base-Backbone interact. energy: 0.879
local terms energy: -253.080410
where:
bonds (distance) C4'-P energy: -56.669
bonds (distance) P-C4' energy: -57.013
flat angles C4'-P-C4' energy: -51.206
flat angles P-C4'-P energy: -25.978
tors. eta vs tors. theta energy: -62.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -773.248307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.248307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.248307 (E_RNA)
where:
Base-Base interactions energy: -534.400
where: short stacking energy: -224.203
Base-Backbone interact. energy: -0.615
local terms energy: -238.232527
where:
bonds (distance) C4'-P energy: -44.878
bonds (distance) P-C4' energy: -44.883
flat angles C4'-P-C4' energy: -46.735
flat angles P-C4'-P energy: -37.551
tors. eta vs tors. theta energy: -64.185
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: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -752.985452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.985452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.985452 (E_RNA)
where:
Base-Base interactions energy: -535.423
where: short stacking energy: -230.423
Base-Backbone interact. energy: -0.009
local terms energy: -217.553320
where:
bonds (distance) C4'-P energy: -32.942
bonds (distance) P-C4' energy: -40.269
flat angles C4'-P-C4' energy: -54.059
flat angles P-C4'-P energy: -29.952
tors. eta vs tors. theta energy: -60.331
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: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -372.888625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.888625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.888625 (E_RNA)
where:
Base-Base interactions energy: -198.924
where: short stacking energy: -92.987
Base-Backbone interact. energy: -0.028
local terms energy: -173.936732
where:
bonds (distance) C4'-P energy: -43.318
bonds (distance) P-C4' energy: -46.132
flat angles C4'-P-C4' energy: -41.569
flat angles P-C4'-P energy: -32.736
tors. eta vs tors. theta energy: -10.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -225.767379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.767379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.767379 (E_RNA)
where:
Base-Base interactions energy: -90.236
where: short stacking energy: -75.105
Base-Backbone interact. energy: -0.545
local terms energy: -134.986914
where:
bonds (distance) C4'-P energy: -27.853
bonds (distance) P-C4' energy: -40.794
flat angles C4'-P-C4' energy: -41.677
flat angles P-C4'-P energy: -28.974
tors. eta vs tors. theta energy: 4.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -968.024619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.024619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.024619 (E_RNA)
where:
Base-Base interactions energy: -673.667
where: short stacking energy: -288.135
Base-Backbone interact. energy: 0.199
local terms energy: -294.556456
where:
bonds (distance) C4'-P energy: -54.790
bonds (distance) P-C4' energy: -57.758
flat angles C4'-P-C4' energy: -60.809
flat angles P-C4'-P energy: -37.611
tors. eta vs tors. theta energy: -83.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -929.915593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.915593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.915593 (E_RNA)
where:
Base-Base interactions energy: -656.667
where: short stacking energy: -271.831
Base-Backbone interact. energy: -1.017
local terms energy: -272.231776
where:
bonds (distance) C4'-P energy: -49.374
bonds (distance) P-C4' energy: -50.917
flat angles C4'-P-C4' energy: -55.784
flat angles P-C4'-P energy: -37.213
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: 3, replica: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -918.524844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.524844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.524844 (E_RNA)
where:
Base-Base interactions energy: -638.861
where: short stacking energy: -258.149
Base-Backbone interact. energy: -2.373
local terms energy: -277.291025
where:
bonds (distance) C4'-P energy: -53.722
bonds (distance) P-C4' energy: -55.375
flat angles C4'-P-C4' energy: -54.697
flat angles P-C4'-P energy: -37.499
tors. eta vs tors. theta energy: -75.998
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: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -877.038438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.038438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.038438 (E_RNA)
where:
Base-Base interactions energy: -604.067
where: short stacking energy: -256.481
Base-Backbone interact. energy: -0.564
local terms energy: -272.407191
where:
bonds (distance) C4'-P energy: -52.867
bonds (distance) P-C4' energy: -51.502
flat angles C4'-P-C4' energy: -54.138
flat angles P-C4'-P energy: -39.164
tors. eta vs tors. theta energy: -74.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -816.212367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.212367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.212367 (E_RNA)
where:
Base-Base interactions energy: -560.583
where: short stacking energy: -241.562
Base-Backbone interact. energy: 0.021
local terms energy: -255.650468
where:
bonds (distance) C4'-P energy: -53.329
bonds (distance) P-C4' energy: -38.996
flat angles C4'-P-C4' energy: -56.125
flat angles P-C4'-P energy: -36.502
tors. eta vs tors. theta energy: -70.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -795.682583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.682583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.682583 (E_RNA)
where:
Base-Base interactions energy: -534.560
where: short stacking energy: -236.385
Base-Backbone interact. energy: -0.211
local terms energy: -260.911173
where:
bonds (distance) C4'-P energy: -46.999
bonds (distance) P-C4' energy: -49.859
flat angles C4'-P-C4' energy: -54.422
flat angles P-C4'-P energy: -42.171
tors. eta vs tors. theta energy: -67.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -732.782301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.782301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.782301 (E_RNA)
where:
Base-Base interactions energy: -505.041
where: short stacking energy: -209.926
Base-Backbone interact. energy: 0.495
local terms energy: -228.236073
where:
bonds (distance) C4'-P energy: -48.102
bonds (distance) P-C4' energy: -35.761
flat angles C4'-P-C4' energy: -54.978
flat angles P-C4'-P energy: -28.074
tors. eta vs tors. theta energy: -61.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -722.125922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.125922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.125922 (E_RNA)
where:
Base-Base interactions energy: -504.038
where: short stacking energy: -210.907
Base-Backbone interact. energy: -1.917
local terms energy: -216.171080
where:
bonds (distance) C4'-P energy: -44.728
bonds (distance) P-C4' energy: -44.556
flat angles C4'-P-C4' energy: -45.636
flat angles P-C4'-P energy: -25.730
tors. eta vs tors. theta energy: -55.521
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: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -406.131611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.131611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.131611 (E_RNA)
where:
Base-Base interactions energy: -233.828
where: short stacking energy: -125.033
Base-Backbone interact. energy: -1.257
local terms energy: -171.046244
where:
bonds (distance) C4'-P energy: -54.629
bonds (distance) P-C4' energy: -39.873
flat angles C4'-P-C4' energy: -39.020
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: -17.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -225.371975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.371975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.371975 (E_RNA)
where:
Base-Base interactions energy: -87.603
where: short stacking energy: -77.772
Base-Backbone interact. energy: 0.678
local terms energy: -138.446522
where:
bonds (distance) C4'-P energy: -39.354
bonds (distance) P-C4' energy: -40.264
flat angles C4'-P-C4' energy: -38.964
flat angles P-C4'-P energy: -25.717
tors. eta vs tors. theta energy: 5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -951.225373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.225373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.225373 (E_RNA)
where:
Base-Base interactions energy: -666.839
where: short stacking energy: -280.232
Base-Backbone interact. energy: -0.152
local terms energy: -284.234616
where:
bonds (distance) C4'-P energy: -48.235
bonds (distance) P-C4' energy: -53.469
flat angles C4'-P-C4' energy: -60.201
flat angles P-C4'-P energy: -40.829
tors. eta vs tors. theta energy: -81.501
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: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -943.665293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.665293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.665293 (E_RNA)
where:
Base-Base interactions energy: -654.087
where: short stacking energy: -279.846
Base-Backbone interact. energy: -0.894
local terms energy: -288.685149
where:
bonds (distance) C4'-P energy: -54.964
bonds (distance) P-C4' energy: -51.732
flat angles C4'-P-C4' energy: -60.369
flat angles P-C4'-P energy: -37.445
tors. eta vs tors. theta energy: -84.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -900.960033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.960033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.960033 (E_RNA)
where:
Base-Base interactions energy: -622.275
where: short stacking energy: -267.381
Base-Backbone interact. energy: 1.289
local terms energy: -279.973895
where:
bonds (distance) C4'-P energy: -45.045
bonds (distance) P-C4' energy: -56.714
flat angles C4'-P-C4' energy: -55.122
flat angles P-C4'-P energy: -41.935
tors. eta vs tors. theta energy: -81.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -887.552670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.552670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.552670 (E_RNA)
where:
Base-Base interactions energy: -618.549
where: short stacking energy: -240.892
Base-Backbone interact. energy: -0.603
local terms energy: -268.401580
where:
bonds (distance) C4'-P energy: -51.745
bonds (distance) P-C4' energy: -43.365
flat angles C4'-P-C4' energy: -59.695
flat angles P-C4'-P energy: -36.335
tors. eta vs tors. theta energy: -77.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -835.733740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.733740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.733740 (E_RNA)
where:
Base-Base interactions energy: -582.460
where: short stacking energy: -260.908
Base-Backbone interact. energy: -0.396
local terms energy: -252.878333
where:
bonds (distance) C4'-P energy: -42.254
bonds (distance) P-C4' energy: -42.577
flat angles C4'-P-C4' energy: -53.273
flat angles P-C4'-P energy: -36.499
tors. eta vs tors. theta energy: -78.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -809.101609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.101609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.101609 (E_RNA)
where:
Base-Base interactions energy: -545.295
where: short stacking energy: -241.143
Base-Backbone interact. energy: -1.117
local terms energy: -262.689635
where:
bonds (distance) C4'-P energy: -45.790
bonds (distance) P-C4' energy: -48.666
flat angles C4'-P-C4' energy: -57.511
flat angles P-C4'-P energy: -41.224
tors. eta vs tors. theta energy: -69.500
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: 7
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -730.839618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.839618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.839618 (E_RNA)
where:
Base-Base interactions energy: -513.982
where: short stacking energy: -223.409
Base-Backbone interact. energy: -0.135
local terms energy: -216.722549
where:
bonds (distance) C4'-P energy: -39.728
bonds (distance) P-C4' energy: -44.073
flat angles C4'-P-C4' energy: -46.296
flat angles P-C4'-P energy: -28.434
tors. eta vs tors. theta energy: -58.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -683.982376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.982376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.982376 (E_RNA)
where:
Base-Base interactions energy: -446.375
where: short stacking energy: -178.860
Base-Backbone interact. energy: -0.879
local terms energy: -236.728155
where:
bonds (distance) C4'-P energy: -48.099
bonds (distance) P-C4' energy: -50.484
flat angles C4'-P-C4' energy: -48.776
flat angles P-C4'-P energy: -29.921
tors. eta vs tors. theta energy: -59.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -417.783485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.783485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.783485 (E_RNA)
where:
Base-Base interactions energy: -214.700
where: short stacking energy: -106.694
Base-Backbone interact. energy: 0.982
local terms energy: -204.065645
where:
bonds (distance) C4'-P energy: -48.722
bonds (distance) P-C4' energy: -50.875
flat angles C4'-P-C4' energy: -45.938
flat angles P-C4'-P energy: -37.047
tors. eta vs tors. theta energy: -21.485
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: 8
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -236.718683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.718683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.718683 (E_RNA)
where:
Base-Base interactions energy: -81.995
where: short stacking energy: -77.828
Base-Backbone interact. energy: -0.646
local terms energy: -154.078533
where:
bonds (distance) C4'-P energy: -49.372
bonds (distance) P-C4' energy: -40.874
flat angles C4'-P-C4' energy: -39.304
flat angles P-C4'-P energy: -23.931
tors. eta vs tors. theta energy: -0.597
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: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -960.621614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.621614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.621614 (E_RNA)
where:
Base-Base interactions energy: -665.585
where: short stacking energy: -281.786
Base-Backbone interact. energy: -0.693
local terms energy: -294.343193
where:
bonds (distance) C4'-P energy: -56.185
bonds (distance) P-C4' energy: -58.940
flat angles C4'-P-C4' energy: -57.900
flat angles P-C4'-P energy: -43.001
tors. eta vs tors. theta energy: -78.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -925.294732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.294732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.294732 (E_RNA)
where:
Base-Base interactions energy: -634.309
where: short stacking energy: -288.309
Base-Backbone interact. energy: -0.675
local terms energy: -290.310998
where:
bonds (distance) C4'-P energy: -49.228
bonds (distance) P-C4' energy: -49.547
flat angles C4'-P-C4' energy: -63.919
flat angles P-C4'-P energy: -43.247
tors. eta vs tors. theta energy: -84.369
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: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -898.986275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.986275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.986275 (E_RNA)
where:
Base-Base interactions energy: -625.493
where: short stacking energy: -261.846
Base-Backbone interact. energy: -1.545
local terms energy: -271.949091
where:
bonds (distance) C4'-P energy: -50.477
bonds (distance) P-C4' energy: -55.401
flat angles C4'-P-C4' energy: -58.430
flat angles P-C4'-P energy: -37.293
tors. eta vs tors. theta energy: -70.347
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: 9
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -917.074243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.074243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.074243 (E_RNA)
where:
Base-Base interactions energy: -634.886
where: short stacking energy: -269.125
Base-Backbone interact. energy: -2.237
local terms energy: -279.951468
where:
bonds (distance) C4'-P energy: -42.611
bonds (distance) P-C4' energy: -56.009
flat angles C4'-P-C4' energy: -59.313
flat angles P-C4'-P energy: -41.781
tors. eta vs tors. theta energy: -80.238
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: 311
Temperature: 1.100000
Total energy: -835.389722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.389722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.389722 (E_RNA)
where:
Base-Base interactions energy: -570.915
where: short stacking energy: -247.544
Base-Backbone interact. energy: 1.287
local terms energy: -265.760948
where:
bonds (distance) C4'-P energy: -44.570
bonds (distance) P-C4' energy: -51.651
flat angles C4'-P-C4' energy: -55.274
flat angles P-C4'-P energy: -38.732
tors. eta vs tors. theta energy: -75.535
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: 7
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -764.441978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.441978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.441978 (E_RNA)
where:
Base-Base interactions energy: -524.771
where: short stacking energy: -222.795
Base-Backbone interact. energy: -0.475
local terms energy: -239.196311
where:
bonds (distance) C4'-P energy: -41.625
bonds (distance) P-C4' energy: -41.726
flat angles C4'-P-C4' energy: -48.647
flat angles P-C4'-P energy: -41.352
tors. eta vs tors. theta energy: -65.846
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: 7, replica: 3
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -762.428629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.428629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.428629 (E_RNA)
where:
Base-Base interactions energy: -519.366
where: short stacking energy: -216.002
Base-Backbone interact. energy: -0.585
local terms energy: -242.477551
where:
bonds (distance) C4'-P energy: -37.760
bonds (distance) P-C4' energy: -51.847
flat angles C4'-P-C4' energy: -55.181
flat angles P-C4'-P energy: -31.923
tors. eta vs tors. theta energy: -65.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -698.019527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.019527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.019527 (E_RNA)
where:
Base-Base interactions energy: -473.365
where: short stacking energy: -217.896
Base-Backbone interact. energy: -2.238
local terms energy: -222.416509
where:
bonds (distance) C4'-P energy: -47.027
bonds (distance) P-C4' energy: -39.307
flat angles C4'-P-C4' energy: -44.600
flat angles P-C4'-P energy: -38.894
tors. eta vs tors. theta energy: -52.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -458.004558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.004558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.004558 (E_RNA)
where:
Base-Base interactions energy: -270.214
where: short stacking energy: -135.496
Base-Backbone interact. energy: 1.997
local terms energy: -189.787882
where:
bonds (distance) C4'-P energy: -47.156
bonds (distance) P-C4' energy: -52.433
flat angles C4'-P-C4' energy: -45.151
flat angles P-C4'-P energy: -23.390
tors. eta vs tors. theta energy: -21.657
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: 8
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -220.571302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.571302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.571302 (E_RNA)
where:
Base-Base interactions energy: -82.922
where: short stacking energy: -42.690
Base-Backbone interact. energy: -1.352
local terms energy: -136.297745
where:
bonds (distance) C4'-P energy: -37.373
bonds (distance) P-C4' energy: -51.601
flat angles C4'-P-C4' energy: -35.587
flat angles P-C4'-P energy: -28.814
tors. eta vs tors. theta energy: 17.076
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: 4
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -958.204061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.204061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.204061 (E_RNA)
where:
Base-Base interactions energy: -660.117
where: short stacking energy: -274.996
Base-Backbone interact. energy: -2.406
local terms energy: -295.680770
where:
bonds (distance) C4'-P energy: -57.741
bonds (distance) P-C4' energy: -53.681
flat angles C4'-P-C4' energy: -61.602
flat angles P-C4'-P energy: -41.617
tors. eta vs tors. theta energy: -81.041
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: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -937.368384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.368384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.368384 (E_RNA)
where:
Base-Base interactions energy: -649.099
where: short stacking energy: -280.819
Base-Backbone interact. energy: -0.727
local terms energy: -287.542433
where:
bonds (distance) C4'-P energy: -52.603
bonds (distance) P-C4' energy: -54.674
flat angles C4'-P-C4' energy: -59.390
flat angles P-C4'-P energy: -31.912
tors. eta vs tors. theta energy: -88.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -892.571754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.571754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.571754 (E_RNA)
where:
Base-Base interactions energy: -612.843
where: short stacking energy: -268.181
Base-Backbone interact. energy: 0.842
local terms energy: -280.571037
where:
bonds (distance) C4'-P energy: -58.538
bonds (distance) P-C4' energy: -52.183
flat angles C4'-P-C4' energy: -51.935
flat angles P-C4'-P energy: -44.736
tors. eta vs tors. theta energy: -73.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -891.135689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.135689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.135689 (E_RNA)
where:
Base-Base interactions energy: -612.177
where: short stacking energy: -266.205
Base-Backbone interact. energy: -1.124
local terms energy: -277.835133
where:
bonds (distance) C4'-P energy: -48.162
bonds (distance) P-C4' energy: -53.094
flat angles C4'-P-C4' energy: -61.597
flat angles P-C4'-P energy: -36.472
tors. eta vs tors. theta energy: -78.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -832.930768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.930768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.930768 (E_RNA)
where:
Base-Base interactions energy: -573.135
where: short stacking energy: -243.162
Base-Backbone interact. energy: -0.893
local terms energy: -258.902930
where:
bonds (distance) C4'-P energy: -36.760
bonds (distance) P-C4' energy: -49.780
flat angles C4'-P-C4' energy: -52.950
flat angles P-C4'-P energy: -41.300
tors. eta vs tors. theta energy: -78.114
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: 7
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -798.117524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.117524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.117524 (E_RNA)
where:
Base-Base interactions energy: -547.924
where: short stacking energy: -233.774
Base-Backbone interact. energy: -0.416
local terms energy: -249.777626
where:
bonds (distance) C4'-P energy: -53.212
bonds (distance) P-C4' energy: -41.731
flat angles C4'-P-C4' energy: -46.306
flat angles P-C4'-P energy: -39.583
tors. eta vs tors. theta energy: -68.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -768.162171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.162171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.162171 (E_RNA)
where:
Base-Base interactions energy: -534.393
where: short stacking energy: -232.598
Base-Backbone interact. energy: -0.768
local terms energy: -233.001278
where:
bonds (distance) C4'-P energy: -48.493
bonds (distance) P-C4' energy: -43.182
flat angles C4'-P-C4' energy: -49.211
flat angles P-C4'-P energy: -36.704
tors. eta vs tors. theta energy: -55.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -727.747814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.747814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.747814 (E_RNA)
where:
Base-Base interactions energy: -490.601
where: short stacking energy: -221.493
Base-Backbone interact. energy: 0.084
local terms energy: -237.231227
where:
bonds (distance) C4'-P energy: -42.053
bonds (distance) P-C4' energy: -47.313
flat angles C4'-P-C4' energy: -50.085
flat angles P-C4'-P energy: -34.203
tors. eta vs tors. theta energy: -63.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -477.622511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.622511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.622511 (E_RNA)
where:
Base-Base interactions energy: -308.188
where: short stacking energy: -142.983
Base-Backbone interact. energy: -0.045
local terms energy: -169.389508
where:
bonds (distance) C4'-P energy: -27.397
bonds (distance) P-C4' energy: -42.300
flat angles C4'-P-C4' energy: -46.891
flat angles P-C4'-P energy: -22.197
tors. eta vs tors. theta energy: -30.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -226.151943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.151943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.151943 (E_RNA)
where:
Base-Base interactions energy: -79.817
where: short stacking energy: -77.215
Base-Backbone interact. energy: -0.727
local terms energy: -145.607045
where:
bonds (distance) C4'-P energy: -41.742
bonds (distance) P-C4' energy: -45.218
flat angles C4'-P-C4' energy: -30.166
flat angles P-C4'-P energy: -31.090
tors. eta vs tors. theta energy: 2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -953.538526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.538526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.538526 (E_RNA)
where:
Base-Base interactions energy: -673.794
where: short stacking energy: -292.542
Base-Backbone interact. energy: -0.565
local terms energy: -279.179845
where:
bonds (distance) C4'-P energy: -45.557
bonds (distance) P-C4' energy: -51.774
flat angles C4'-P-C4' energy: -54.700
flat angles P-C4'-P energy: -44.677
tors. eta vs tors. theta energy: -82.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -961.504264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.504264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.504264 (E_RNA)
where:
Base-Base interactions energy: -658.938
where: short stacking energy: -291.793
Base-Backbone interact. energy: -0.095
local terms energy: -302.470842
where:
bonds (distance) C4'-P energy: -54.683
bonds (distance) P-C4' energy: -54.907
flat angles C4'-P-C4' energy: -61.620
flat angles P-C4'-P energy: -40.895
tors. eta vs tors. theta energy: -90.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -871.285517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.285517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.285517 (E_RNA)
where:
Base-Base interactions energy: -584.787
where: short stacking energy: -252.327
Base-Backbone interact. energy: -0.185
local terms energy: -286.313001
where:
bonds (distance) C4'-P energy: -54.599
bonds (distance) P-C4' energy: -49.770
flat angles C4'-P-C4' energy: -62.396
flat angles P-C4'-P energy: -41.026
tors. eta vs tors. theta energy: -78.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -885.204871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.204871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.204871 (E_RNA)
where:
Base-Base interactions energy: -624.247
where: short stacking energy: -257.790
Base-Backbone interact. energy: -0.602
local terms energy: -260.355365
where:
bonds (distance) C4'-P energy: -45.106
bonds (distance) P-C4' energy: -49.803
flat angles C4'-P-C4' energy: -51.675
flat angles P-C4'-P energy: -43.323
tors. eta vs tors. theta energy: -70.448
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: 313
Temperature: 1.100000
Total energy: -835.876319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.876319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.876319 (E_RNA)
where:
Base-Base interactions energy: -573.079
where: short stacking energy: -244.945
Base-Backbone interact. energy: -0.470
local terms energy: -262.327214
where:
bonds (distance) C4'-P energy: -43.426
bonds (distance) P-C4' energy: -54.154
flat angles C4'-P-C4' energy: -61.464
flat angles P-C4'-P energy: -33.881
tors. eta vs tors. theta energy: -69.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -774.088954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.088954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.088954 (E_RNA)
where:
Base-Base interactions energy: -530.887
where: short stacking energy: -222.393
Base-Backbone interact. energy: -0.778
local terms energy: -242.423744
where:
bonds (distance) C4'-P energy: -52.617
bonds (distance) P-C4' energy: -45.818
flat angles C4'-P-C4' energy: -45.700
flat angles P-C4'-P energy: -32.264
tors. eta vs tors. theta energy: -66.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -762.636740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.636740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.636740 (E_RNA)
where:
Base-Base interactions energy: -517.836
where: short stacking energy: -214.467
Base-Backbone interact. energy: 0.856
local terms energy: -245.657316
where:
bonds (distance) C4'-P energy: -44.295
bonds (distance) P-C4' energy: -44.779
flat angles C4'-P-C4' energy: -51.622
flat angles P-C4'-P energy: -40.710
tors. eta vs tors. theta energy: -64.250
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: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -691.200977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.200977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.200977 (E_RNA)
where:
Base-Base interactions energy: -466.032
where: short stacking energy: -209.327
Base-Backbone interact. energy: 0.492
local terms energy: -225.661146
where:
bonds (distance) C4'-P energy: -44.300
bonds (distance) P-C4' energy: -47.269
flat angles C4'-P-C4' energy: -50.104
flat angles P-C4'-P energy: -31.656
tors. eta vs tors. theta energy: -52.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -486.612574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.612574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.612574 (E_RNA)
where:
Base-Base interactions energy: -287.479
where: short stacking energy: -139.024
Base-Backbone interact. energy: -1.480
local terms energy: -197.653972
where:
bonds (distance) C4'-P energy: -43.649
bonds (distance) P-C4' energy: -48.934
flat angles C4'-P-C4' energy: -47.364
flat angles P-C4'-P energy: -27.606
tors. eta vs tors. theta energy: -30.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -226.798786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.798786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.798786 (E_RNA)
where:
Base-Base interactions energy: -76.684
where: short stacking energy: -65.659
Base-Backbone interact. energy: -0.735
local terms energy: -149.380169
where:
bonds (distance) C4'-P energy: -46.129
bonds (distance) P-C4' energy: -41.132
flat angles C4'-P-C4' energy: -36.336
flat angles P-C4'-P energy: -25.002
tors. eta vs tors. theta energy: -0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -943.832337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.832337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.832337 (E_RNA)
where:
Base-Base interactions energy: -655.526
where: short stacking energy: -271.971
Base-Backbone interact. energy: -1.658
local terms energy: -286.648478
where:
bonds (distance) C4'-P energy: -55.861
bonds (distance) P-C4' energy: -53.485
flat angles C4'-P-C4' energy: -60.574
flat angles P-C4'-P energy: -37.652
tors. eta vs tors. theta energy: -79.076
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: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -949.562728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.562728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.562728 (E_RNA)
where:
Base-Base interactions energy: -656.311
where: short stacking energy: -284.447
Base-Backbone interact. energy: -0.468
local terms energy: -292.784001
where:
bonds (distance) C4'-P energy: -54.895
bonds (distance) P-C4' energy: -56.446
flat angles C4'-P-C4' energy: -55.033
flat angles P-C4'-P energy: -41.283
tors. eta vs tors. theta energy: -85.127
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: 314
Temperature: 1.000000
Total energy: -899.779925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.779925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.779925 (E_RNA)
where:
Base-Base interactions energy: -615.722
where: short stacking energy: -268.563
Base-Backbone interact. energy: -1.992
local terms energy: -282.065532
where:
bonds (distance) C4'-P energy: -50.545
bonds (distance) P-C4' energy: -58.848
flat angles C4'-P-C4' energy: -59.296
flat angles P-C4'-P energy: -40.836
tors. eta vs tors. theta energy: -72.540
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: 314
Temperature: 1.050000
Total energy: -838.286814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.286814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.286814 (E_RNA)
where:
Base-Base interactions energy: -579.337
where: short stacking energy: -254.422
Base-Backbone interact. energy: -0.834
local terms energy: -258.116211
where:
bonds (distance) C4'-P energy: -49.229
bonds (distance) P-C4' energy: -47.575
flat angles C4'-P-C4' energy: -49.277
flat angles P-C4'-P energy: -44.117
tors. eta vs tors. theta energy: -67.919
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: 5, replica: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -813.263949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.263949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.263949 (E_RNA)
where:
Base-Base interactions energy: -555.029
where: short stacking energy: -247.164
Base-Backbone interact. energy: -0.607
local terms energy: -257.627372
where:
bonds (distance) C4'-P energy: -51.189
bonds (distance) P-C4' energy: -48.173
flat angles C4'-P-C4' energy: -49.772
flat angles P-C4'-P energy: -40.304
tors. eta vs tors. theta energy: -68.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -809.753532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.753532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.753532 (E_RNA)
where:
Base-Base interactions energy: -553.682
where: short stacking energy: -235.340
Base-Backbone interact. energy: -0.759
local terms energy: -255.312292
where:
bonds (distance) C4'-P energy: -51.940
bonds (distance) P-C4' energy: -56.285
flat angles C4'-P-C4' energy: -51.550
flat angles P-C4'-P energy: -33.355
tors. eta vs tors. theta energy: -62.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -752.709742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.709742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.709742 (E_RNA)
where:
Base-Base interactions energy: -524.157
where: short stacking energy: -217.365
Base-Backbone interact. energy: 1.473
local terms energy: -230.026500
where:
bonds (distance) C4'-P energy: -39.614
bonds (distance) P-C4' energy: -45.202
flat angles C4'-P-C4' energy: -55.571
flat angles P-C4'-P energy: -29.488
tors. eta vs tors. theta energy: -60.152
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: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -720.984672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.984672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.984672 (E_RNA)
where:
Base-Base interactions energy: -474.134
where: short stacking energy: -212.540
Base-Backbone interact. energy: 2.301
local terms energy: -249.151783
where:
bonds (distance) C4'-P energy: -52.989
bonds (distance) P-C4' energy: -41.700
flat angles C4'-P-C4' energy: -49.535
flat angles P-C4'-P energy: -42.823
tors. eta vs tors. theta energy: -62.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -496.232994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.232994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.232994 (E_RNA)
where:
Base-Base interactions energy: -312.469
where: short stacking energy: -134.982
Base-Backbone interact. energy: -0.288
local terms energy: -183.475916
where:
bonds (distance) C4'-P energy: -50.495
bonds (distance) P-C4' energy: -46.563
flat angles C4'-P-C4' energy: -32.563
flat angles P-C4'-P energy: -29.447
tors. eta vs tors. theta energy: -24.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -263.893542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.893542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.893542 (E_RNA)
where:
Base-Base interactions energy: -106.610
where: short stacking energy: -77.101
Base-Backbone interact. energy: -0.991
local terms energy: -156.292227
where:
bonds (distance) C4'-P energy: -42.390
bonds (distance) P-C4' energy: -56.119
flat angles C4'-P-C4' energy: -45.724
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: 0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -949.188054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.188054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.188054 (E_RNA)
where:
Base-Base interactions energy: -656.263
where: short stacking energy: -283.674
Base-Backbone interact. energy: -0.292
local terms energy: -292.633746
where:
bonds (distance) C4'-P energy: -55.448
bonds (distance) P-C4' energy: -59.796
flat angles C4'-P-C4' energy: -58.475
flat angles P-C4'-P energy: -39.703
tors. eta vs tors. theta energy: -79.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -951.821742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.821742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.821742 (E_RNA)
where:
Base-Base interactions energy: -657.956
where: short stacking energy: -286.380
Base-Backbone interact. energy: -1.398
local terms energy: -292.467078
where:
bonds (distance) C4'-P energy: -46.179
bonds (distance) P-C4' energy: -52.665
flat angles C4'-P-C4' energy: -66.128
flat angles P-C4'-P energy: -40.057
tors. eta vs tors. theta energy: -87.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -904.553477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.553477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.553477 (E_RNA)
where:
Base-Base interactions energy: -635.177
where: short stacking energy: -268.228
Base-Backbone interact. energy: -1.880
local terms energy: -267.496549
where:
bonds (distance) C4'-P energy: -47.334
bonds (distance) P-C4' energy: -49.701
flat angles C4'-P-C4' energy: -52.901
flat angles P-C4'-P energy: -40.226
tors. eta vs tors. theta energy: -77.334
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: 315
Temperature: 1.050000
Total energy: -828.108878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.108878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.108878 (E_RNA)
where:
Base-Base interactions energy: -562.961
where: short stacking energy: -252.911
Base-Backbone interact. energy: 0.661
local terms energy: -265.808543
where:
bonds (distance) C4'-P energy: -51.074
bonds (distance) P-C4' energy: -50.007
flat angles C4'-P-C4' energy: -55.689
flat angles P-C4'-P energy: -34.910
tors. eta vs tors. theta energy: -74.128
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: 5, replica: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -816.327723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.327723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.327723 (E_RNA)
where:
Base-Base interactions energy: -560.469
where: short stacking energy: -232.183
Base-Backbone interact. energy: -0.422
local terms energy: -255.436934
where:
bonds (distance) C4'-P energy: -45.103
bonds (distance) P-C4' energy: -53.351
flat angles C4'-P-C4' energy: -57.279
flat angles P-C4'-P energy: -34.520
tors. eta vs tors. theta energy: -65.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -787.997971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.997971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.997971 (E_RNA)
where:
Base-Base interactions energy: -538.184
where: short stacking energy: -236.458
Base-Backbone interact. energy: -0.587
local terms energy: -249.227122
where:
bonds (distance) C4'-P energy: -47.846
bonds (distance) P-C4' energy: -56.424
flat angles C4'-P-C4' energy: -51.326
flat angles P-C4'-P energy: -32.386
tors. eta vs tors. theta energy: -61.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -754.464844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.464844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.464844 (E_RNA)
where:
Base-Base interactions energy: -524.353
where: short stacking energy: -218.256
Base-Backbone interact. energy: -2.184
local terms energy: -227.927906
where:
bonds (distance) C4'-P energy: -52.204
bonds (distance) P-C4' energy: -50.713
flat angles C4'-P-C4' energy: -42.589
flat angles P-C4'-P energy: -25.985
tors. eta vs tors. theta energy: -56.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -685.119545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.119545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.119545 (E_RNA)
where:
Base-Base interactions energy: -454.651
where: short stacking energy: -206.041
Base-Backbone interact. energy: -0.898
local terms energy: -229.570368
where:
bonds (distance) C4'-P energy: -39.837
bonds (distance) P-C4' energy: -45.446
flat angles C4'-P-C4' energy: -50.251
flat angles P-C4'-P energy: -31.098
tors. eta vs tors. theta energy: -62.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -507.076458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.076458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.076458 (E_RNA)
where:
Base-Base interactions energy: -301.226
where: short stacking energy: -141.543
Base-Backbone interact. energy: 0.827
local terms energy: -206.678089
where:
bonds (distance) C4'-P energy: -37.265
bonds (distance) P-C4' energy: -49.892
flat angles C4'-P-C4' energy: -45.973
flat angles P-C4'-P energy: -35.566
tors. eta vs tors. theta energy: -37.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -216.125524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.125524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.125524 (E_RNA)
where:
Base-Base interactions energy: -59.948
where: short stacking energy: -54.524
Base-Backbone interact. energy: -1.021
local terms energy: -155.156155
where:
bonds (distance) C4'-P energy: -48.221
bonds (distance) P-C4' energy: -46.722
flat angles C4'-P-C4' energy: -42.240
flat angles P-C4'-P energy: -23.178
tors. eta vs tors. theta energy: 5.205
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: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -965.978905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.978905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.978905 (E_RNA)
where:
Base-Base interactions energy: -653.259
where: short stacking energy: -287.773
Base-Backbone interact. energy: -1.073
local terms energy: -311.646869
where:
bonds (distance) C4'-P energy: -56.391
bonds (distance) P-C4' energy: -58.030
flat angles C4'-P-C4' energy: -66.148
flat angles P-C4'-P energy: -42.628
tors. eta vs tors. theta energy: -88.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -940.411561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.411561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.411561 (E_RNA)
where:
Base-Base interactions energy: -662.036
where: short stacking energy: -277.379
Base-Backbone interact. energy: -0.253
local terms energy: -278.122322
where:
bonds (distance) C4'-P energy: -46.398
bonds (distance) P-C4' energy: -56.222
flat angles C4'-P-C4' energy: -56.895
flat angles P-C4'-P energy: -44.868
tors. eta vs tors. theta energy: -73.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -917.974338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.974338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.974338 (E_RNA)
where:
Base-Base interactions energy: -651.270
where: short stacking energy: -266.146
Base-Backbone interact. energy: -1.333
local terms energy: -265.371542
where:
bonds (distance) C4'-P energy: -46.788
bonds (distance) P-C4' energy: -48.033
flat angles C4'-P-C4' energy: -56.163
flat angles P-C4'-P energy: -38.080
tors. eta vs tors. theta energy: -76.308
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: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -840.490793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.490793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.490793 (E_RNA)
where:
Base-Base interactions energy: -573.480
where: short stacking energy: -247.859
Base-Backbone interact. energy: -0.872
local terms energy: -266.138824
where:
bonds (distance) C4'-P energy: -42.645
bonds (distance) P-C4' energy: -54.876
flat angles C4'-P-C4' energy: -52.098
flat angles P-C4'-P energy: -43.475
tors. eta vs tors. theta energy: -73.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -850.438303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.438303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.438303 (E_RNA)
where:
Base-Base interactions energy: -592.971
where: short stacking energy: -249.104
Base-Backbone interact. energy: -0.513
local terms energy: -256.953910
where:
bonds (distance) C4'-P energy: -52.430
bonds (distance) P-C4' energy: -45.545
flat angles C4'-P-C4' energy: -48.298
flat angles P-C4'-P energy: -36.246
tors. eta vs tors. theta energy: -74.435
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: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -809.466185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.466185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.466185 (E_RNA)
where:
Base-Base interactions energy: -557.321
where: short stacking energy: -251.112
Base-Backbone interact. energy: -0.333
local terms energy: -251.812065
where:
bonds (distance) C4'-P energy: -40.549
bonds (distance) P-C4' energy: -48.255
flat angles C4'-P-C4' energy: -56.502
flat angles P-C4'-P energy: -32.543
tors. eta vs tors. theta energy: -73.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -771.056401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.056401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.056401 (E_RNA)
where:
Base-Base interactions energy: -529.221
where: short stacking energy: -223.753
Base-Backbone interact. energy: -2.034
local terms energy: -239.801295
where:
bonds (distance) C4'-P energy: -40.993
bonds (distance) P-C4' energy: -44.541
flat angles C4'-P-C4' energy: -53.432
flat angles P-C4'-P energy: -39.689
tors. eta vs tors. theta energy: -61.147
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: 8, replica: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -666.342567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.342567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.342567 (E_RNA)
where:
Base-Base interactions energy: -444.806
where: short stacking energy: -191.715
Base-Backbone interact. energy: 0.156
local terms energy: -221.692606
where:
bonds (distance) C4'-P energy: -41.687
bonds (distance) P-C4' energy: -47.527
flat angles C4'-P-C4' energy: -49.712
flat angles P-C4'-P energy: -36.019
tors. eta vs tors. theta energy: -46.748
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: 9, replica: 10
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -511.319028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.319028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.319028 (E_RNA)
where:
Base-Base interactions energy: -297.742
where: short stacking energy: -141.181
Base-Backbone interact. energy: 0.343
local terms energy: -213.919709
where:
bonds (distance) C4'-P energy: -43.063
bonds (distance) P-C4' energy: -51.550
flat angles C4'-P-C4' energy: -49.053
flat angles P-C4'-P energy: -35.653
tors. eta vs tors. theta energy: -34.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -225.311442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.311442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.311442 (E_RNA)
where:
Base-Base interactions energy: -79.535
where: short stacking energy: -69.397
Base-Backbone interact. energy: 0.271
local terms energy: -146.046988
where:
bonds (distance) C4'-P energy: -49.876
bonds (distance) P-C4' energy: -47.245
flat angles C4'-P-C4' energy: -33.938
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: 3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -947.733332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.733332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.733332 (E_RNA)
where:
Base-Base interactions energy: -653.692
where: short stacking energy: -279.479
Base-Backbone interact. energy: -0.962
local terms energy: -293.079604
where:
bonds (distance) C4'-P energy: -51.354
bonds (distance) P-C4' energy: -53.732
flat angles C4'-P-C4' energy: -61.649
flat angles P-C4'-P energy: -46.534
tors. eta vs tors. theta energy: -79.811
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: 9
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -953.183780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.183780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.183780 (E_RNA)
where:
Base-Base interactions energy: -676.564
where: short stacking energy: -286.404
Base-Backbone interact. energy: -0.804
local terms energy: -275.816015
where:
bonds (distance) C4'-P energy: -49.331
bonds (distance) P-C4' energy: -48.147
flat angles C4'-P-C4' energy: -64.610
flat angles P-C4'-P energy: -33.520
tors. eta vs tors. theta energy: -80.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -908.734316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.734316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.734316 (E_RNA)
where:
Base-Base interactions energy: -633.908
where: short stacking energy: -254.539
Base-Backbone interact. energy: -0.905
local terms energy: -273.920640
where:
bonds (distance) C4'-P energy: -39.750
bonds (distance) P-C4' energy: -52.453
flat angles C4'-P-C4' energy: -63.059
flat angles P-C4'-P energy: -35.673
tors. eta vs tors. theta energy: -82.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -887.739326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.739326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.739326 (E_RNA)
where:
Base-Base interactions energy: -618.502
where: short stacking energy: -268.661
Base-Backbone interact. energy: -0.793
local terms energy: -268.444273
where:
bonds (distance) C4'-P energy: -46.454
bonds (distance) P-C4' energy: -49.803
flat angles C4'-P-C4' energy: -61.166
flat angles P-C4'-P energy: -35.625
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: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -816.040062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.040062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.040062 (E_RNA)
where:
Base-Base interactions energy: -568.070
where: short stacking energy: -241.706
Base-Backbone interact. energy: -0.655
local terms energy: -247.315250
where:
bonds (distance) C4'-P energy: -45.513
bonds (distance) P-C4' energy: -51.239
flat angles C4'-P-C4' energy: -45.071
flat angles P-C4'-P energy: -39.085
tors. eta vs tors. theta energy: -66.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -792.150015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.150015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.150015 (E_RNA)
where:
Base-Base interactions energy: -553.446
where: short stacking energy: -234.816
Base-Backbone interact. energy: 0.073
local terms energy: -238.777002
where:
bonds (distance) C4'-P energy: -38.632
bonds (distance) P-C4' energy: -46.310
flat angles C4'-P-C4' energy: -49.245
flat angles P-C4'-P energy: -40.859
tors. eta vs tors. theta energy: -63.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -737.262702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.262702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.262702 (E_RNA)
where:
Base-Base interactions energy: -505.836
where: short stacking energy: -229.637
Base-Backbone interact. energy: 0.416
local terms energy: -231.842389
where:
bonds (distance) C4'-P energy: -45.425
bonds (distance) P-C4' energy: -51.200
flat angles C4'-P-C4' energy: -43.034
flat angles P-C4'-P energy: -31.931
tors. eta vs tors. theta energy: -60.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -689.582810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.582810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.582810 (E_RNA)
where:
Base-Base interactions energy: -467.654
where: short stacking energy: -205.110
Base-Backbone interact. energy: 0.181
local terms energy: -222.110061
where:
bonds (distance) C4'-P energy: -46.499
bonds (distance) P-C4' energy: -40.264
flat angles C4'-P-C4' energy: -49.080
flat angles P-C4'-P energy: -31.798
tors. eta vs tors. theta energy: -54.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -497.944517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.944517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.944517 (E_RNA)
where:
Base-Base interactions energy: -295.091
where: short stacking energy: -137.895
Base-Backbone interact. energy: 3.198
local terms energy: -206.051204
where:
bonds (distance) C4'-P energy: -40.707
bonds (distance) P-C4' energy: -40.394
flat angles C4'-P-C4' energy: -50.387
flat angles P-C4'-P energy: -34.950
tors. eta vs tors. theta energy: -39.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -233.239450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.239450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.239450 (E_RNA)
where:
Base-Base interactions energy: -102.746
where: short stacking energy: -67.510
Base-Backbone interact. energy: 2.617
local terms energy: -133.110285
where:
bonds (distance) C4'-P energy: -38.391
bonds (distance) P-C4' energy: -34.674
flat angles C4'-P-C4' energy: -45.089
flat angles P-C4'-P energy: -21.422
tors. eta vs tors. theta energy: 6.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -967.463588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.463588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.463588 (E_RNA)
where:
Base-Base interactions energy: -668.089
where: short stacking energy: -293.935
Base-Backbone interact. energy: -0.063
local terms energy: -299.311342
where:
bonds (distance) C4'-P energy: -50.166
bonds (distance) P-C4' energy: -52.951
flat angles C4'-P-C4' energy: -61.273
flat angles P-C4'-P energy: -43.942
tors. eta vs tors. theta energy: -90.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -935.546201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.546201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.546201 (E_RNA)
where:
Base-Base interactions energy: -656.004
where: short stacking energy: -287.771
Base-Backbone interact. energy: -0.747
local terms energy: -278.795401
where:
bonds (distance) C4'-P energy: -47.817
bonds (distance) P-C4' energy: -50.212
flat angles C4'-P-C4' energy: -56.588
flat angles P-C4'-P energy: -41.212
tors. eta vs tors. theta energy: -82.965
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: 4
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -918.520532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.520532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.520532 (E_RNA)
where:
Base-Base interactions energy: -634.016
where: short stacking energy: -257.287
Base-Backbone interact. energy: -0.478
local terms energy: -284.026814
where:
bonds (distance) C4'-P energy: -53.535
bonds (distance) P-C4' energy: -44.784
flat angles C4'-P-C4' energy: -62.629
flat angles P-C4'-P energy: -45.690
tors. eta vs tors. theta energy: -77.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -871.879464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.879464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.879464 (E_RNA)
where:
Base-Base interactions energy: -605.585
where: short stacking energy: -261.637
Base-Backbone interact. energy: -1.039
local terms energy: -265.254830
where:
bonds (distance) C4'-P energy: -45.642
bonds (distance) P-C4' energy: -47.178
flat angles C4'-P-C4' energy: -51.284
flat angles P-C4'-P energy: -37.959
tors. eta vs tors. theta energy: -83.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -808.054138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.054138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.054138 (E_RNA)
where:
Base-Base interactions energy: -532.549
where: short stacking energy: -230.702
Base-Backbone interact. energy: -0.245
local terms energy: -275.260623
where:
bonds (distance) C4'-P energy: -58.753
bonds (distance) P-C4' energy: -51.303
flat angles C4'-P-C4' energy: -54.414
flat angles P-C4'-P energy: -37.519
tors. eta vs tors. theta energy: -73.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -781.127602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.127602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.127602 (E_RNA)
where:
Base-Base interactions energy: -536.737
where: short stacking energy: -227.818
Base-Backbone interact. energy: 3.152
local terms energy: -247.542581
where:
bonds (distance) C4'-P energy: -49.456
bonds (distance) P-C4' energy: -52.563
flat angles C4'-P-C4' energy: -52.056
flat angles P-C4'-P energy: -32.385
tors. eta vs tors. theta energy: -61.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -789.244313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.244313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.244313 (E_RNA)
where:
Base-Base interactions energy: -559.119
where: short stacking energy: -229.443
Base-Backbone interact. energy: -1.974
local terms energy: -228.151861
where:
bonds (distance) C4'-P energy: -47.575
bonds (distance) P-C4' energy: -43.265
flat angles C4'-P-C4' energy: -50.147
flat angles P-C4'-P energy: -26.942
tors. eta vs tors. theta energy: -60.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -694.760270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.760270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.760270 (E_RNA)
where:
Base-Base interactions energy: -476.882
where: short stacking energy: -211.161
Base-Backbone interact. energy: 0.161
local terms energy: -218.039543
where:
bonds (distance) C4'-P energy: -40.875
bonds (distance) P-C4' energy: -45.469
flat angles C4'-P-C4' energy: -43.023
flat angles P-C4'-P energy: -29.824
tors. eta vs tors. theta energy: -58.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -421.938342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.938342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.938342 (E_RNA)
where:
Base-Base interactions energy: -256.208
where: short stacking energy: -127.457
Base-Backbone interact. energy: -0.390
local terms energy: -165.339777
where:
bonds (distance) C4'-P energy: -34.122
bonds (distance) P-C4' energy: -43.553
flat angles C4'-P-C4' energy: -37.729
flat angles P-C4'-P energy: -24.555
tors. eta vs tors. theta energy: -25.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -226.659202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.659202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.659202 (E_RNA)
where:
Base-Base interactions energy: -91.274
where: short stacking energy: -82.905
Base-Backbone interact. energy: -0.180
local terms energy: -135.204856
where:
bonds (distance) C4'-P energy: -33.680
bonds (distance) P-C4' energy: -45.658
flat angles C4'-P-C4' energy: -41.708
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -954.642341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.642341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.642341 (E_RNA)
where:
Base-Base interactions energy: -665.596
where: short stacking energy: -279.840
Base-Backbone interact. energy: 3.389
local terms energy: -292.434535
where:
bonds (distance) C4'-P energy: -46.742
bonds (distance) P-C4' energy: -53.012
flat angles C4'-P-C4' energy: -65.693
flat angles P-C4'-P energy: -39.894
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: 4
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -939.829662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.829662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.829662 (E_RNA)
where:
Base-Base interactions energy: -639.889
where: short stacking energy: -283.209
Base-Backbone interact. energy: -0.624
local terms energy: -299.316115
where:
bonds (distance) C4'-P energy: -49.909
bonds (distance) P-C4' energy: -52.776
flat angles C4'-P-C4' energy: -66.565
flat angles P-C4'-P energy: -42.814
tors. eta vs tors. theta energy: -87.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -901.154511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.154511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.154511 (E_RNA)
where:
Base-Base interactions energy: -630.801
where: short stacking energy: -257.449
Base-Backbone interact. energy: -0.634
local terms energy: -269.719368
where:
bonds (distance) C4'-P energy: -38.860
bonds (distance) P-C4' energy: -54.583
flat angles C4'-P-C4' energy: -56.262
flat angles P-C4'-P energy: -45.029
tors. eta vs tors. theta energy: -74.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -847.098643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.098643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.098643 (E_RNA)
where:
Base-Base interactions energy: -582.468
where: short stacking energy: -252.874
Base-Backbone interact. energy: -1.021
local terms energy: -263.609520
where:
bonds (distance) C4'-P energy: -43.365
bonds (distance) P-C4' energy: -51.356
flat angles C4'-P-C4' energy: -61.783
flat angles P-C4'-P energy: -32.390
tors. eta vs tors. theta energy: -74.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -854.996284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.996284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.996284 (E_RNA)
where:
Base-Base interactions energy: -590.287
where: short stacking energy: -243.321
Base-Backbone interact. energy: -1.189
local terms energy: -263.520534
where:
bonds (distance) C4'-P energy: -52.254
bonds (distance) P-C4' energy: -49.210
flat angles C4'-P-C4' energy: -54.884
flat angles P-C4'-P energy: -39.976
tors. eta vs tors. theta energy: -67.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -748.548116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.548116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.548116 (E_RNA)
where:
Base-Base interactions energy: -511.378
where: short stacking energy: -218.305
Base-Backbone interact. energy: -0.397
local terms energy: -236.773783
where:
bonds (distance) C4'-P energy: -52.810
bonds (distance) P-C4' energy: -38.993
flat angles C4'-P-C4' energy: -54.915
flat angles P-C4'-P energy: -34.115
tors. eta vs tors. theta energy: -55.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -748.495575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.495575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.495575 (E_RNA)
where:
Base-Base interactions energy: -517.880
where: short stacking energy: -215.756
Base-Backbone interact. energy: -0.194
local terms energy: -230.421645
where:
bonds (distance) C4'-P energy: -42.527
bonds (distance) P-C4' energy: -47.654
flat angles C4'-P-C4' energy: -53.738
flat angles P-C4'-P energy: -30.402
tors. eta vs tors. theta energy: -56.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -651.194481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.194481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.194481 (E_RNA)
where:
Base-Base interactions energy: -443.055
where: short stacking energy: -192.327
Base-Backbone interact. energy: -1.031
local terms energy: -207.108306
where:
bonds (distance) C4'-P energy: -41.201
bonds (distance) P-C4' energy: -47.050
flat angles C4'-P-C4' energy: -41.125
flat angles P-C4'-P energy: -23.824
tors. eta vs tors. theta energy: -53.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -414.767760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.767760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.767760 (E_RNA)
where:
Base-Base interactions energy: -223.594
where: short stacking energy: -121.469
Base-Backbone interact. energy: 0.016
local terms energy: -191.190482
where:
bonds (distance) C4'-P energy: -46.263
bonds (distance) P-C4' energy: -43.639
flat angles C4'-P-C4' energy: -47.518
flat angles P-C4'-P energy: -33.244
tors. eta vs tors. theta energy: -20.526
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: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -294.309784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.309784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.309784 (E_RNA)
where:
Base-Base interactions energy: -171.854
where: short stacking energy: -77.215
Base-Backbone interact. energy: -1.467
local terms energy: -120.989287
where:
bonds (distance) C4'-P energy: -40.820
bonds (distance) P-C4' energy: -32.855
flat angles C4'-P-C4' energy: -33.688
flat angles P-C4'-P energy: -18.559
tors. eta vs tors. theta energy: 4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -963.846529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.846529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.846529 (E_RNA)
where:
Base-Base interactions energy: -668.025
where: short stacking energy: -289.737
Base-Backbone interact. energy: -1.501
local terms energy: -294.320732
where:
bonds (distance) C4'-P energy: -48.438
bonds (distance) P-C4' energy: -55.537
flat angles C4'-P-C4' energy: -63.130
flat angles P-C4'-P energy: -38.360
tors. eta vs tors. theta energy: -88.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -939.862535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.862535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.862535 (E_RNA)
where:
Base-Base interactions energy: -652.857
where: short stacking energy: -282.512
Base-Backbone interact. energy: -2.976
local terms energy: -284.028782
where:
bonds (distance) C4'-P energy: -46.839
bonds (distance) P-C4' energy: -52.900
flat angles C4'-P-C4' energy: -56.575
flat angles P-C4'-P energy: -41.579
tors. eta vs tors. theta energy: -86.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -905.532092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.532092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.532092 (E_RNA)
where:
Base-Base interactions energy: -636.192
where: short stacking energy: -274.994
Base-Backbone interact. energy: -2.203
local terms energy: -267.136944
where:
bonds (distance) C4'-P energy: -47.397
bonds (distance) P-C4' energy: -55.429
flat angles C4'-P-C4' energy: -44.968
flat angles P-C4'-P energy: -37.897
tors. eta vs tors. theta energy: -81.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -882.743898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.743898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.743898 (E_RNA)
where:
Base-Base interactions energy: -596.123
where: short stacking energy: -268.156
Base-Backbone interact. energy: -0.796
local terms energy: -285.824131
where:
bonds (distance) C4'-P energy: -53.381
bonds (distance) P-C4' energy: -59.171
flat angles C4'-P-C4' energy: -58.498
flat angles P-C4'-P energy: -36.443
tors. eta vs tors. theta energy: -78.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -854.383526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.383526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.383526 (E_RNA)
where:
Base-Base interactions energy: -593.555
where: short stacking energy: -240.974
Base-Backbone interact. energy: -1.090
local terms energy: -259.738516
where:
bonds (distance) C4'-P energy: -43.045
bonds (distance) P-C4' energy: -55.745
flat angles C4'-P-C4' energy: -53.838
flat angles P-C4'-P energy: -39.453
tors. eta vs tors. theta energy: -67.657
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: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -762.502709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.502709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.502709 (E_RNA)
where:
Base-Base interactions energy: -519.186
where: short stacking energy: -223.494
Base-Backbone interact. energy: -0.584
local terms energy: -242.732663
where:
bonds (distance) C4'-P energy: -42.984
bonds (distance) P-C4' energy: -48.085
flat angles C4'-P-C4' energy: -54.126
flat angles P-C4'-P energy: -31.765
tors. eta vs tors. theta energy: -65.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -760.633930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.633930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.633930 (E_RNA)
where:
Base-Base interactions energy: -522.186
where: short stacking energy: -212.444
Base-Backbone interact. energy: -1.521
local terms energy: -236.926913
where:
bonds (distance) C4'-P energy: -49.049
bonds (distance) P-C4' energy: -39.707
flat angles C4'-P-C4' energy: -59.358
flat angles P-C4'-P energy: -26.435
tors. eta vs tors. theta energy: -62.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -680.992801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.992801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.992801 (E_RNA)
where:
Base-Base interactions energy: -462.090
where: short stacking energy: -201.621
Base-Backbone interact. energy: 0.689
local terms energy: -219.591796
where:
bonds (distance) C4'-P energy: -41.253
bonds (distance) P-C4' energy: -43.485
flat angles C4'-P-C4' energy: -48.818
flat angles P-C4'-P energy: -32.461
tors. eta vs tors. theta energy: -53.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -386.635782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.635782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.635782 (E_RNA)
where:
Base-Base interactions energy: -224.843
where: short stacking energy: -112.902
Base-Backbone interact. energy: -0.053
local terms energy: -161.740105
where:
bonds (distance) C4'-P energy: -37.486
bonds (distance) P-C4' energy: -40.114
flat angles C4'-P-C4' energy: -40.709
flat angles P-C4'-P energy: -19.734
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: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -300.715264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.715264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.715264 (E_RNA)
where:
Base-Base interactions energy: -142.154
where: short stacking energy: -86.664
Base-Backbone interact. energy: -1.036
local terms energy: -157.525051
where:
bonds (distance) C4'-P energy: -46.684
bonds (distance) P-C4' energy: -41.602
flat angles C4'-P-C4' energy: -36.145
flat angles P-C4'-P energy: -26.835
tors. eta vs tors. theta energy: -6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -955.378832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.378832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.378832 (E_RNA)
where:
Base-Base interactions energy: -664.321
where: short stacking energy: -275.293
Base-Backbone interact. energy: -1.593
local terms energy: -289.464935
where:
bonds (distance) C4'-P energy: -53.102
bonds (distance) P-C4' energy: -57.269
flat angles C4'-P-C4' energy: -58.383
flat angles P-C4'-P energy: -45.679
tors. eta vs tors. theta energy: -75.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -925.154019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.154019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.154019 (E_RNA)
where:
Base-Base interactions energy: -650.373
where: short stacking energy: -258.066
Base-Backbone interact. energy: -0.924
local terms energy: -273.856502
where:
bonds (distance) C4'-P energy: -53.214
bonds (distance) P-C4' energy: -54.489
flat angles C4'-P-C4' energy: -56.793
flat angles P-C4'-P energy: -36.826
tors. eta vs tors. theta energy: -72.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -905.863911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.863911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.863911 (E_RNA)
where:
Base-Base interactions energy: -633.341
where: short stacking energy: -266.578
Base-Backbone interact. energy: -1.638
local terms energy: -270.884818
where:
bonds (distance) C4'-P energy: -52.381
bonds (distance) P-C4' energy: -53.137
flat angles C4'-P-C4' energy: -59.005
flat angles P-C4'-P energy: -31.791
tors. eta vs tors. theta energy: -74.570
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: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -866.096129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.096129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.096129 (E_RNA)
where:
Base-Base interactions energy: -593.999
where: short stacking energy: -261.366
Base-Backbone interact. energy: -0.126
local terms energy: -271.971270
where:
bonds (distance) C4'-P energy: -46.216
bonds (distance) P-C4' energy: -52.028
flat angles C4'-P-C4' energy: -55.505
flat angles P-C4'-P energy: -35.756
tors. eta vs tors. theta energy: -82.465
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: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -832.200208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.200208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.200208 (E_RNA)
where:
Base-Base interactions energy: -567.399
where: short stacking energy: -243.381
Base-Backbone interact. energy: 0.822
local terms energy: -265.622526
where:
bonds (distance) C4'-P energy: -54.308
bonds (distance) P-C4' energy: -42.885
flat angles C4'-P-C4' energy: -55.814
flat angles P-C4'-P energy: -44.414
tors. eta vs tors. theta energy: -68.202
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: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -786.581335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.581335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.581335 (E_RNA)
where:
Base-Base interactions energy: -543.869
where: short stacking energy: -231.649
Base-Backbone interact. energy: -0.167
local terms energy: -242.544898
where:
bonds (distance) C4'-P energy: -52.709
bonds (distance) P-C4' energy: -51.252
flat angles C4'-P-C4' energy: -50.181
flat angles P-C4'-P energy: -32.783
tors. eta vs tors. theta energy: -55.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -751.400621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.400621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.400621 (E_RNA)
where:
Base-Base interactions energy: -508.440
where: short stacking energy: -223.853
Base-Backbone interact. energy: -0.351
local terms energy: -242.609469
where:
bonds (distance) C4'-P energy: -36.423
bonds (distance) P-C4' energy: -46.769
flat angles C4'-P-C4' energy: -52.659
flat angles P-C4'-P energy: -40.566
tors. eta vs tors. theta energy: -66.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -670.812511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.812511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.812511 (E_RNA)
where:
Base-Base interactions energy: -457.727
where: short stacking energy: -184.904
Base-Backbone interact. energy: -1.295
local terms energy: -211.790471
where:
bonds (distance) C4'-P energy: -49.439
bonds (distance) P-C4' energy: -31.175
flat angles C4'-P-C4' energy: -49.602
flat angles P-C4'-P energy: -27.561
tors. eta vs tors. theta energy: -54.013
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: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -418.741295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.741295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.741295 (E_RNA)
where:
Base-Base interactions energy: -257.933
where: short stacking energy: -120.366
Base-Backbone interact. energy: -0.538
local terms energy: -160.270098
where:
bonds (distance) C4'-P energy: -45.279
bonds (distance) P-C4' energy: -38.861
flat angles C4'-P-C4' energy: -28.407
flat angles P-C4'-P energy: -24.829
tors. eta vs tors. theta energy: -22.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -303.047715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.047715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.047715 (E_RNA)
where:
Base-Base interactions energy: -149.374
where: short stacking energy: -82.119
Base-Backbone interact. energy: -1.021
local terms energy: -152.652789
where:
bonds (distance) C4'-P energy: -45.071
bonds (distance) P-C4' energy: -39.948
flat angles C4'-P-C4' energy: -27.368
flat angles P-C4'-P energy: -32.842
tors. eta vs tors. theta energy: -7.424
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: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -973.666996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.666996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.666996 (E_RNA)
where:
Base-Base interactions energy: -675.138
where: short stacking energy: -297.957
Base-Backbone interact. energy: -1.811
local terms energy: -296.718863
where:
bonds (distance) C4'-P energy: -48.097
bonds (distance) P-C4' energy: -59.101
flat angles C4'-P-C4' energy: -59.807
flat angles P-C4'-P energy: -44.600
tors. eta vs tors. theta energy: -85.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -932.914372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.914372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.914372 (E_RNA)
where:
Base-Base interactions energy: -654.968
where: short stacking energy: -274.913
Base-Backbone interact. energy: -1.814
local terms energy: -276.132232
where:
bonds (distance) C4'-P energy: -53.258
bonds (distance) P-C4' energy: -50.203
flat angles C4'-P-C4' energy: -60.890
flat angles P-C4'-P energy: -34.559
tors. eta vs tors. theta energy: -77.222
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: 322
Temperature: 1.000000
Total energy: -894.747570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.747570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.747570 (E_RNA)
where:
Base-Base interactions energy: -629.793
where: short stacking energy: -262.835
Base-Backbone interact. energy: -0.983
local terms energy: -263.971121
where:
bonds (distance) C4'-P energy: -49.939
bonds (distance) P-C4' energy: -53.361
flat angles C4'-P-C4' energy: -52.630
flat angles P-C4'-P energy: -32.129
tors. eta vs tors. theta energy: -75.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -884.811050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.811050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.811050 (E_RNA)
where:
Base-Base interactions energy: -614.421
where: short stacking energy: -277.432
Base-Backbone interact. energy: -1.707
local terms energy: -268.683441
where:
bonds (distance) C4'-P energy: -44.070
bonds (distance) P-C4' energy: -46.534
flat angles C4'-P-C4' energy: -54.910
flat angles P-C4'-P energy: -41.165
tors. eta vs tors. theta energy: -82.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -827.315409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.315409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.315409 (E_RNA)
where:
Base-Base interactions energy: -592.275
where: short stacking energy: -252.063
Base-Backbone interact. energy: -0.818
local terms energy: -234.222442
where:
bonds (distance) C4'-P energy: -39.579
bonds (distance) P-C4' energy: -38.951
flat angles C4'-P-C4' energy: -52.802
flat angles P-C4'-P energy: -36.119
tors. eta vs tors. theta energy: -66.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -808.081457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.081457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.081457 (E_RNA)
where:
Base-Base interactions energy: -560.018
where: short stacking energy: -253.960
Base-Backbone interact. energy: 0.128
local terms energy: -248.191066
where:
bonds (distance) C4'-P energy: -53.047
bonds (distance) P-C4' energy: -44.179
flat angles C4'-P-C4' energy: -49.321
flat angles P-C4'-P energy: -30.100
tors. eta vs tors. theta energy: -71.545
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: 7, replica: 7
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -751.534962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.534962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.534962 (E_RNA)
where:
Base-Base interactions energy: -521.324
where: short stacking energy: -206.512
Base-Backbone interact. energy: -0.256
local terms energy: -229.954942
where:
bonds (distance) C4'-P energy: -47.602
bonds (distance) P-C4' energy: -40.541
flat angles C4'-P-C4' energy: -44.316
flat angles P-C4'-P energy: -39.928
tors. eta vs tors. theta energy: -57.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -670.655706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.655706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.655706 (E_RNA)
where:
Base-Base interactions energy: -433.775
where: short stacking energy: -190.728
Base-Backbone interact. energy: -0.285
local terms energy: -236.595440
where:
bonds (distance) C4'-P energy: -51.366
bonds (distance) P-C4' energy: -46.489
flat angles C4'-P-C4' energy: -51.667
flat angles P-C4'-P energy: -36.706
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: 8
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -327.347729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.347729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.347729 (E_RNA)
where:
Base-Base interactions energy: -160.955
where: short stacking energy: -86.068
Base-Backbone interact. energy: -2.142
local terms energy: -164.250358
where:
bonds (distance) C4'-P energy: -41.335
bonds (distance) P-C4' energy: -38.810
flat angles C4'-P-C4' energy: -54.510
flat angles P-C4'-P energy: -23.930
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: 10, replica: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -378.975186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.975186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.975186 (E_RNA)
where:
Base-Base interactions energy: -212.627
where: short stacking energy: -100.429
Base-Backbone interact. energy: 3.214
local terms energy: -169.562215
where:
bonds (distance) C4'-P energy: -39.883
bonds (distance) P-C4' energy: -49.936
flat angles C4'-P-C4' energy: -41.738
flat angles P-C4'-P energy: -23.648
tors. eta vs tors. theta energy: -14.356
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: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -986.873191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.873191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.873191 (E_RNA)
where:
Base-Base interactions energy: -680.787
where: short stacking energy: -303.590
Base-Backbone interact. energy: -1.812
local terms energy: -304.274137
where:
bonds (distance) C4'-P energy: -50.233
bonds (distance) P-C4' energy: -55.379
flat angles C4'-P-C4' energy: -65.369
flat angles P-C4'-P energy: -41.788
tors. eta vs tors. theta energy: -91.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -931.198619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.198619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.198619 (E_RNA)
where:
Base-Base interactions energy: -640.684
where: short stacking energy: -266.711
Base-Backbone interact. energy: -1.194
local terms energy: -289.320384
where:
bonds (distance) C4'-P energy: -48.380
bonds (distance) P-C4' energy: -56.516
flat angles C4'-P-C4' energy: -61.755
flat angles P-C4'-P energy: -45.458
tors. eta vs tors. theta energy: -77.210
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: 3, replica: 4
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -918.059617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.059617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.059617 (E_RNA)
where:
Base-Base interactions energy: -645.804
where: short stacking energy: -263.260
Base-Backbone interact. energy: -0.261
local terms energy: -271.994742
where:
bonds (distance) C4'-P energy: -44.509
bonds (distance) P-C4' energy: -53.634
flat angles C4'-P-C4' energy: -63.363
flat angles P-C4'-P energy: -33.898
tors. eta vs tors. theta energy: -76.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -881.614055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.614055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.614055 (E_RNA)
where:
Base-Base interactions energy: -604.656
where: short stacking energy: -265.254
Base-Backbone interact. energy: -1.459
local terms energy: -275.499073
where:
bonds (distance) C4'-P energy: -51.827
bonds (distance) P-C4' energy: -52.733
flat angles C4'-P-C4' energy: -54.679
flat angles P-C4'-P energy: -32.860
tors. eta vs tors. theta energy: -83.399
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: 1
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -816.237208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.237208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.237208 (E_RNA)
where:
Base-Base interactions energy: -556.755
where: short stacking energy: -247.434
Base-Backbone interact. energy: -1.183
local terms energy: -258.298858
where:
bonds (distance) C4'-P energy: -46.014
bonds (distance) P-C4' energy: -51.832
flat angles C4'-P-C4' energy: -52.224
flat angles P-C4'-P energy: -40.175
tors. eta vs tors. theta energy: -68.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -772.867781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.867781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.867781 (E_RNA)
where:
Base-Base interactions energy: -538.332
where: short stacking energy: -235.829
Base-Backbone interact. energy: -0.856
local terms energy: -233.680083
where:
bonds (distance) C4'-P energy: -38.247
bonds (distance) P-C4' energy: -50.896
flat angles C4'-P-C4' energy: -49.140
flat angles P-C4'-P energy: -36.749
tors. eta vs tors. theta energy: -58.649
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: 323
Temperature: 1.200000
Total energy: -721.155574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.155574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.155574 (E_RNA)
where:
Base-Base interactions energy: -488.611
where: short stacking energy: -206.709
Base-Backbone interact. energy: -0.967
local terms energy: -231.577627
where:
bonds (distance) C4'-P energy: -52.596
bonds (distance) P-C4' energy: -39.391
flat angles C4'-P-C4' energy: -54.407
flat angles P-C4'-P energy: -34.387
tors. eta vs tors. theta energy: -50.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -654.503750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.503750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.503750 (E_RNA)
where:
Base-Base interactions energy: -435.023
where: short stacking energy: -182.592
Base-Backbone interact. energy: -0.243
local terms energy: -219.237916
where:
bonds (distance) C4'-P energy: -42.544
bonds (distance) P-C4' energy: -41.699
flat angles C4'-P-C4' energy: -49.719
flat angles P-C4'-P energy: -24.813
tors. eta vs tors. theta energy: -60.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -331.295002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.295002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.295002 (E_RNA)
where:
Base-Base interactions energy: -176.972
where: short stacking energy: -105.268
Base-Backbone interact. energy: -0.581
local terms energy: -153.741885
where:
bonds (distance) C4'-P energy: -44.577
bonds (distance) P-C4' energy: -41.813
flat angles C4'-P-C4' energy: -39.580
flat angles P-C4'-P energy: -22.076
tors. eta vs tors. theta energy: -5.696
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: 323
Temperature: 1.350000
Total energy: -376.821571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.821571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.821571 (E_RNA)
where:
Base-Base interactions energy: -215.087
where: short stacking energy: -92.399
Base-Backbone interact. energy: -1.575
local terms energy: -160.159112
where:
bonds (distance) C4'-P energy: -56.838
bonds (distance) P-C4' energy: -47.271
flat angles C4'-P-C4' energy: -33.431
flat angles P-C4'-P energy: -19.004
tors. eta vs tors. theta energy: -3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -957.401729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.401729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.401729 (E_RNA)
where:
Base-Base interactions energy: -652.969
where: short stacking energy: -294.620
Base-Backbone interact. energy: 1.263
local terms energy: -305.696143
where:
bonds (distance) C4'-P energy: -51.038
bonds (distance) P-C4' energy: -57.928
flat angles C4'-P-C4' energy: -62.123
flat angles P-C4'-P energy: -42.913
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: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -948.010428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.010428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.010428 (E_RNA)
where:
Base-Base interactions energy: -662.467
where: short stacking energy: -282.818
Base-Backbone interact. energy: 0.723
local terms energy: -286.266885
where:
bonds (distance) C4'-P energy: -49.754
bonds (distance) P-C4' energy: -55.654
flat angles C4'-P-C4' energy: -58.823
flat angles P-C4'-P energy: -41.896
tors. eta vs tors. theta energy: -80.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -925.786872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.786872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.786872 (E_RNA)
where:
Base-Base interactions energy: -659.706
where: short stacking energy: -275.882
Base-Backbone interact. energy: -1.276
local terms energy: -264.804931
where:
bonds (distance) C4'-P energy: -39.410
bonds (distance) P-C4' energy: -53.906
flat angles C4'-P-C4' energy: -61.360
flat angles P-C4'-P energy: -33.131
tors. eta vs tors. theta energy: -76.997
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: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -882.897295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.897295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.897295 (E_RNA)
where:
Base-Base interactions energy: -608.892
where: short stacking energy: -262.408
Base-Backbone interact. energy: -0.222
local terms energy: -273.783093
where:
bonds (distance) C4'-P energy: -42.480
bonds (distance) P-C4' energy: -47.149
flat angles C4'-P-C4' energy: -59.970
flat angles P-C4'-P energy: -40.038
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: 5, replica: 1
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -818.047569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.047569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.047569 (E_RNA)
where:
Base-Base interactions energy: -543.954
where: short stacking energy: -224.358
Base-Backbone interact. energy: -0.041
local terms energy: -274.052760
where:
bonds (distance) C4'-P energy: -55.269
bonds (distance) P-C4' energy: -49.550
flat angles C4'-P-C4' energy: -62.531
flat angles P-C4'-P energy: -39.390
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: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -769.691370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.691370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.691370 (E_RNA)
where:
Base-Base interactions energy: -536.606
where: short stacking energy: -221.288
Base-Backbone interact. energy: -1.379
local terms energy: -231.705715
where:
bonds (distance) C4'-P energy: -47.724
bonds (distance) P-C4' energy: -41.556
flat angles C4'-P-C4' energy: -48.158
flat angles P-C4'-P energy: -33.509
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: 7
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -747.632916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.632916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.632916 (E_RNA)
where:
Base-Base interactions energy: -512.298
where: short stacking energy: -215.033
Base-Backbone interact. energy: 1.247
local terms energy: -236.582464
where:
bonds (distance) C4'-P energy: -38.647
bonds (distance) P-C4' energy: -50.532
flat angles C4'-P-C4' energy: -56.143
flat angles P-C4'-P energy: -36.388
tors. eta vs tors. theta energy: -54.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -701.285804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.285804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.285804 (E_RNA)
where:
Base-Base interactions energy: -457.836
where: short stacking energy: -206.800
Base-Backbone interact. energy: -0.270
local terms energy: -243.180479
where:
bonds (distance) C4'-P energy: -44.862
bonds (distance) P-C4' energy: -44.375
flat angles C4'-P-C4' energy: -53.751
flat angles P-C4'-P energy: -36.283
tors. eta vs tors. theta energy: -63.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -426.710379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.710379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.710379 (E_RNA)
where:
Base-Base interactions energy: -253.917
where: short stacking energy: -103.670
Base-Backbone interact. energy: 0.843
local terms energy: -173.635649
where:
bonds (distance) C4'-P energy: -36.508
bonds (distance) P-C4' energy: -52.156
flat angles C4'-P-C4' energy: -48.847
flat angles P-C4'-P energy: -23.623
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: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -297.438048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.438048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.438048 (E_RNA)
where:
Base-Base interactions energy: -142.702
where: short stacking energy: -78.097
Base-Backbone interact. energy: 0.650
local terms energy: -155.385650
where:
bonds (distance) C4'-P energy: -44.706
bonds (distance) P-C4' energy: -45.059
flat angles C4'-P-C4' energy: -44.077
flat angles P-C4'-P energy: -28.101
tors. eta vs tors. theta energy: 6.558
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: 1, replica: 9
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -967.593722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.593722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.593722 (E_RNA)
where:
Base-Base interactions energy: -660.505
where: short stacking energy: -286.990
Base-Backbone interact. energy: -1.321
local terms energy: -305.767840
where:
bonds (distance) C4'-P energy: -52.306
bonds (distance) P-C4' energy: -59.758
flat angles C4'-P-C4' energy: -62.268
flat angles P-C4'-P energy: -41.662
tors. eta vs tors. theta energy: -89.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -938.705019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.705019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.705019 (E_RNA)
where:
Base-Base interactions energy: -664.856
where: short stacking energy: -291.571
Base-Backbone interact. energy: 3.776
local terms energy: -277.624493
where:
bonds (distance) C4'-P energy: -44.619
bonds (distance) P-C4' energy: -54.767
flat angles C4'-P-C4' energy: -52.674
flat angles P-C4'-P energy: -40.782
tors. eta vs tors. theta energy: -84.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -934.868851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.868851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.868851 (E_RNA)
where:
Base-Base interactions energy: -652.817
where: short stacking energy: -268.119
Base-Backbone interact. energy: -0.950
local terms energy: -281.101497
where:
bonds (distance) C4'-P energy: -44.653
bonds (distance) P-C4' energy: -48.748
flat angles C4'-P-C4' energy: -67.885
flat angles P-C4'-P energy: -42.503
tors. eta vs tors. theta energy: -77.312
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: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -859.671442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.671442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.671442 (E_RNA)
where:
Base-Base interactions energy: -615.935
where: short stacking energy: -245.204
Base-Backbone interact. energy: 0.823
local terms energy: -244.559039
where:
bonds (distance) C4'-P energy: -24.492
bonds (distance) P-C4' energy: -50.829
flat angles C4'-P-C4' energy: -56.408
flat angles P-C4'-P energy: -37.608
tors. eta vs tors. theta energy: -75.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -824.223258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.223258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.223258 (E_RNA)
where:
Base-Base interactions energy: -574.834
where: short stacking energy: -248.633
Base-Backbone interact. energy: -0.646
local terms energy: -248.743342
where:
bonds (distance) C4'-P energy: -43.028
bonds (distance) P-C4' energy: -47.117
flat angles C4'-P-C4' energy: -54.943
flat angles P-C4'-P energy: -28.929
tors. eta vs tors. theta energy: -74.727
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: 6, replica: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -764.747226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.747226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.747226 (E_RNA)
where:
Base-Base interactions energy: -519.796
where: short stacking energy: -226.526
Base-Backbone interact. energy: 1.545
local terms energy: -246.496722
where:
bonds (distance) C4'-P energy: -44.116
bonds (distance) P-C4' energy: -51.076
flat angles C4'-P-C4' energy: -57.757
flat angles P-C4'-P energy: -27.353
tors. eta vs tors. theta energy: -66.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -747.240906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.240906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.240906 (E_RNA)
where:
Base-Base interactions energy: -516.974
where: short stacking energy: -222.117
Base-Backbone interact. energy: -0.063
local terms energy: -230.203950
where:
bonds (distance) C4'-P energy: -45.276
bonds (distance) P-C4' energy: -48.202
flat angles C4'-P-C4' energy: -43.842
flat angles P-C4'-P energy: -32.082
tors. eta vs tors. theta energy: -60.801
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: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -648.918379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.918379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.918379 (E_RNA)
where:
Base-Base interactions energy: -430.598
where: short stacking energy: -198.626
Base-Backbone interact. energy: 1.429
local terms energy: -219.749079
where:
bonds (distance) C4'-P energy: -42.032
bonds (distance) P-C4' energy: -46.637
flat angles C4'-P-C4' energy: -49.468
flat angles P-C4'-P energy: -29.514
tors. eta vs tors. theta energy: -52.099
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: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -403.936412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.936412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.936412 (E_RNA)
where:
Base-Base interactions energy: -241.708
where: short stacking energy: -117.738
Base-Backbone interact. energy: 1.177
local terms energy: -163.405501
where:
bonds (distance) C4'-P energy: -42.202
bonds (distance) P-C4' energy: -48.263
flat angles C4'-P-C4' energy: -36.021
flat angles P-C4'-P energy: -29.780
tors. eta vs tors. theta energy: -7.139
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: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -299.078032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.078032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.078032 (E_RNA)
where:
Base-Base interactions energy: -135.994
where: short stacking energy: -69.217
Base-Backbone interact. energy: 3.159
local terms energy: -166.243173
where:
bonds (distance) C4'-P energy: -42.691
bonds (distance) P-C4' energy: -44.732
flat angles C4'-P-C4' energy: -38.839
flat angles P-C4'-P energy: -33.937
tors. eta vs tors. theta energy: -6.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -969.647779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.647779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.647779 (E_RNA)
where:
Base-Base interactions energy: -674.150
where: short stacking energy: -281.396
Base-Backbone interact. energy: 0.829
local terms energy: -296.326053
where:
bonds (distance) C4'-P energy: -54.272
bonds (distance) P-C4' energy: -51.951
flat angles C4'-P-C4' energy: -63.805
flat angles P-C4'-P energy: -42.470
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: 9
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -959.126107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.126107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.126107 (E_RNA)
where:
Base-Base interactions energy: -667.520
where: short stacking energy: -300.673
Base-Backbone interact. energy: -1.331
local terms energy: -290.275843
where:
bonds (distance) C4'-P energy: -47.599
bonds (distance) P-C4' energy: -46.655
flat angles C4'-P-C4' energy: -60.047
flat angles P-C4'-P energy: -45.904
tors. eta vs tors. theta energy: -90.071
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: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -929.328407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.328407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.328407 (E_RNA)
where:
Base-Base interactions energy: -656.931
where: short stacking energy: -272.624
Base-Backbone interact. energy: -0.063
local terms energy: -272.334619
where:
bonds (distance) C4'-P energy: -49.487
bonds (distance) P-C4' energy: -46.373
flat angles C4'-P-C4' energy: -64.171
flat angles P-C4'-P energy: -35.003
tors. eta vs tors. theta energy: -77.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -874.528058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.528058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.528058 (E_RNA)
where:
Base-Base interactions energy: -618.750
where: short stacking energy: -271.890
Base-Backbone interact. energy: -1.283
local terms energy: -254.495460
where:
bonds (distance) C4'-P energy: -46.504
bonds (distance) P-C4' energy: -41.867
flat angles C4'-P-C4' energy: -54.431
flat angles P-C4'-P energy: -35.731
tors. eta vs tors. theta energy: -75.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -827.707368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.707368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.707368 (E_RNA)
where:
Base-Base interactions energy: -574.222
where: short stacking energy: -239.517
Base-Backbone interact. energy: -0.866
local terms energy: -252.619488
where:
bonds (distance) C4'-P energy: -46.321
bonds (distance) P-C4' energy: -45.035
flat angles C4'-P-C4' energy: -57.367
flat angles P-C4'-P energy: -34.414
tors. eta vs tors. theta energy: -69.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -781.469287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.469287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.469287 (E_RNA)
where:
Base-Base interactions energy: -542.304
where: short stacking energy: -231.158
Base-Backbone interact. energy: -1.542
local terms energy: -237.623478
where:
bonds (distance) C4'-P energy: -38.904
bonds (distance) P-C4' energy: -38.778
flat angles C4'-P-C4' energy: -54.590
flat angles P-C4'-P energy: -41.444
tors. eta vs tors. theta energy: -63.907
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: 7
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -772.426757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.426757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.426757 (E_RNA)
where:
Base-Base interactions energy: -533.784
where: short stacking energy: -223.393
Base-Backbone interact. energy: -0.910
local terms energy: -237.733170
where:
bonds (distance) C4'-P energy: -48.573
bonds (distance) P-C4' energy: -41.508
flat angles C4'-P-C4' energy: -51.986
flat angles P-C4'-P energy: -33.756
tors. eta vs tors. theta energy: -61.910
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: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -630.113304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.113304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.113304 (E_RNA)
where:
Base-Base interactions energy: -417.956
where: short stacking energy: -185.635
Base-Backbone interact. energy: -1.905
local terms energy: -210.252273
where:
bonds (distance) C4'-P energy: -38.052
bonds (distance) P-C4' energy: -50.730
flat angles C4'-P-C4' energy: -42.257
flat angles P-C4'-P energy: -33.982
tors. eta vs tors. theta energy: -45.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -431.930148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.930148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.930148 (E_RNA)
where:
Base-Base interactions energy: -252.438
where: short stacking energy: -136.342
Base-Backbone interact. energy: 1.067
local terms energy: -180.559570
where:
bonds (distance) C4'-P energy: -42.067
bonds (distance) P-C4' energy: -51.891
flat angles C4'-P-C4' energy: -47.555
flat angles P-C4'-P energy: -26.716
tors. eta vs tors. theta energy: -12.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -315.283368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.283368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.283368 (E_RNA)
where:
Base-Base interactions energy: -145.598
where: short stacking energy: -83.423
Base-Backbone interact. energy: -0.561
local terms energy: -169.125252
where:
bonds (distance) C4'-P energy: -40.305
bonds (distance) P-C4' energy: -50.114
flat angles C4'-P-C4' energy: -39.289
flat angles P-C4'-P energy: -31.724
tors. eta vs tors. theta energy: -7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -966.183733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.183733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.183733 (E_RNA)
where:
Base-Base interactions energy: -668.437
where: short stacking energy: -288.053
Base-Backbone interact. energy: -1.563
local terms energy: -296.183918
where:
bonds (distance) C4'-P energy: -59.788
bonds (distance) P-C4' energy: -51.247
flat angles C4'-P-C4' energy: -58.920
flat angles P-C4'-P energy: -39.427
tors. eta vs tors. theta energy: -86.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -960.663493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.663493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.663493 (E_RNA)
where:
Base-Base interactions energy: -661.526
where: short stacking energy: -289.296
Base-Backbone interact. energy: -1.415
local terms energy: -297.721735
where:
bonds (distance) C4'-P energy: -55.772
bonds (distance) P-C4' energy: -55.928
flat angles C4'-P-C4' energy: -54.545
flat angles P-C4'-P energy: -43.961
tors. eta vs tors. theta energy: -87.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -922.051669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.051669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.051669 (E_RNA)
where:
Base-Base interactions energy: -634.828
where: short stacking energy: -274.961
Base-Backbone interact. energy: -1.587
local terms energy: -285.637169
where:
bonds (distance) C4'-P energy: -55.385
bonds (distance) P-C4' energy: -48.127
flat angles C4'-P-C4' energy: -59.516
flat angles P-C4'-P energy: -36.406
tors. eta vs tors. theta energy: -86.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -905.441177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.441177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.441177 (E_RNA)
where:
Base-Base interactions energy: -633.543
where: short stacking energy: -261.386
Base-Backbone interact. energy: -0.522
local terms energy: -271.376475
where:
bonds (distance) C4'-P energy: -49.552
bonds (distance) P-C4' energy: -52.974
flat angles C4'-P-C4' energy: -51.239
flat angles P-C4'-P energy: -32.378
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: 5, replica: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -816.815480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.815480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.815480 (E_RNA)
where:
Base-Base interactions energy: -569.164
where: short stacking energy: -231.859
Base-Backbone interact. energy: 1.189
local terms energy: -248.840942
where:
bonds (distance) C4'-P energy: -52.352
bonds (distance) P-C4' energy: -53.032
flat angles C4'-P-C4' energy: -50.997
flat angles P-C4'-P energy: -26.949
tors. eta vs tors. theta energy: -65.510
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: 6, replica: 7
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -782.354128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.354128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.354128 (E_RNA)
where:
Base-Base interactions energy: -545.070
where: short stacking energy: -225.769
Base-Backbone interact. energy: -1.052
local terms energy: -236.232032
where:
bonds (distance) C4'-P energy: -47.658
bonds (distance) P-C4' energy: -45.406
flat angles C4'-P-C4' energy: -44.960
flat angles P-C4'-P energy: -39.839
tors. eta vs tors. theta energy: -58.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -777.694558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.694558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.694558 (E_RNA)
where:
Base-Base interactions energy: -551.405
where: short stacking energy: -231.176
Base-Backbone interact. energy: 0.409
local terms energy: -226.697920
where:
bonds (distance) C4'-P energy: -30.796
bonds (distance) P-C4' energy: -53.787
flat angles C4'-P-C4' energy: -50.182
flat angles P-C4'-P energy: -33.507
tors. eta vs tors. theta energy: -58.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -655.595720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.595720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.595720 (E_RNA)
where:
Base-Base interactions energy: -449.392
where: short stacking energy: -193.751
Base-Backbone interact. energy: -0.740
local terms energy: -205.463882
where:
bonds (distance) C4'-P energy: -50.285
bonds (distance) P-C4' energy: -32.217
flat angles C4'-P-C4' energy: -46.434
flat angles P-C4'-P energy: -30.056
tors. eta vs tors. theta energy: -46.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -414.635009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.635009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.635009 (E_RNA)
where:
Base-Base interactions energy: -237.595
where: short stacking energy: -110.797
Base-Backbone interact. energy: 1.217
local terms energy: -178.257500
where:
bonds (distance) C4'-P energy: -46.512
bonds (distance) P-C4' energy: -37.875
flat angles C4'-P-C4' energy: -46.874
flat angles P-C4'-P energy: -33.788
tors. eta vs tors. theta energy: -13.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -292.104094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.104094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.104094 (E_RNA)
where:
Base-Base interactions energy: -146.632
where: short stacking energy: -89.212
Base-Backbone interact. energy: 1.476
local terms energy: -146.947950
where:
bonds (distance) C4'-P energy: -39.867
bonds (distance) P-C4' energy: -54.578
flat angles C4'-P-C4' energy: -27.647
flat angles P-C4'-P energy: -25.023
tors. eta vs tors. theta energy: 0.167
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: 328
Temperature: 0.900000
Total energy: -964.267640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.267640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.267640 (E_RNA)
where:
Base-Base interactions energy: -668.160
where: short stacking energy: -285.893
Base-Backbone interact. energy: -1.089
local terms energy: -295.019490
where:
bonds (distance) C4'-P energy: -51.641
bonds (distance) P-C4' energy: -51.333
flat angles C4'-P-C4' energy: -59.828
flat angles P-C4'-P energy: -47.525
tors. eta vs tors. theta energy: -84.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -951.536988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.536988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.536988 (E_RNA)
where:
Base-Base interactions energy: -655.684
where: short stacking energy: -293.990
Base-Backbone interact. energy: 0.723
local terms energy: -296.576582
where:
bonds (distance) C4'-P energy: -53.818
bonds (distance) P-C4' energy: -58.032
flat angles C4'-P-C4' energy: -59.813
flat angles P-C4'-P energy: -36.054
tors. eta vs tors. theta energy: -88.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -916.535033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.535033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.535033 (E_RNA)
where:
Base-Base interactions energy: -628.840
where: short stacking energy: -271.353
Base-Backbone interact. energy: -0.503
local terms energy: -287.192635
where:
bonds (distance) C4'-P energy: -59.999
bonds (distance) P-C4' energy: -42.179
flat angles C4'-P-C4' energy: -62.168
flat angles P-C4'-P energy: -43.651
tors. eta vs tors. theta energy: -79.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -888.413516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.413516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.413516 (E_RNA)
where:
Base-Base interactions energy: -615.306
where: short stacking energy: -258.878
Base-Backbone interact. energy: -0.874
local terms energy: -272.233005
where:
bonds (distance) C4'-P energy: -52.313
bonds (distance) P-C4' energy: -51.346
flat angles C4'-P-C4' energy: -53.272
flat angles P-C4'-P energy: -40.008
tors. eta vs tors. theta energy: -75.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -834.366022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.366022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.366022 (E_RNA)
where:
Base-Base interactions energy: -580.637
where: short stacking energy: -245.177
Base-Backbone interact. energy: 0.652
local terms energy: -254.380707
where:
bonds (distance) C4'-P energy: -52.129
bonds (distance) P-C4' energy: -55.129
flat angles C4'-P-C4' energy: -56.528
flat angles P-C4'-P energy: -23.014
tors. eta vs tors. theta energy: -67.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -783.046657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.046657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.046657 (E_RNA)
where:
Base-Base interactions energy: -535.840
where: short stacking energy: -224.699
Base-Backbone interact. energy: -0.380
local terms energy: -246.826428
where:
bonds (distance) C4'-P energy: -36.988
bonds (distance) P-C4' energy: -47.975
flat angles C4'-P-C4' energy: -51.368
flat angles P-C4'-P energy: -45.214
tors. eta vs tors. theta energy: -65.282
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: 7, replica: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -783.629479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.629479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.629479 (E_RNA)
where:
Base-Base interactions energy: -531.021
where: short stacking energy: -222.959
Base-Backbone interact. energy: -0.070
local terms energy: -252.538724
where:
bonds (distance) C4'-P energy: -39.621
bonds (distance) P-C4' energy: -57.307
flat angles C4'-P-C4' energy: -47.827
flat angles P-C4'-P energy: -40.037
tors. eta vs tors. theta energy: -67.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -654.190918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.190918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.190918 (E_RNA)
where:
Base-Base interactions energy: -446.884
where: short stacking energy: -188.138
Base-Backbone interact. energy: -0.859
local terms energy: -206.448899
where:
bonds (distance) C4'-P energy: -41.433
bonds (distance) P-C4' energy: -48.973
flat angles C4'-P-C4' energy: -49.755
flat angles P-C4'-P energy: -21.207
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: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -383.182902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.182902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.182902 (E_RNA)
where:
Base-Base interactions energy: -207.590
where: short stacking energy: -100.209
Base-Backbone interact. energy: -0.650
local terms energy: -174.942812
where:
bonds (distance) C4'-P energy: -39.879
bonds (distance) P-C4' energy: -48.102
flat angles C4'-P-C4' energy: -38.606
flat angles P-C4'-P energy: -33.979
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -330.171909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.171909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.171909 (E_RNA)
where:
Base-Base interactions energy: -176.106
where: short stacking energy: -109.326
Base-Backbone interact. energy: 0.694
local terms energy: -154.759874
where:
bonds (distance) C4'-P energy: -53.716
bonds (distance) P-C4' energy: -42.254
flat angles C4'-P-C4' energy: -35.706
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -11.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -957.111274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.111274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.111274 (E_RNA)
where:
Base-Base interactions energy: -665.085
where: short stacking energy: -294.709
Base-Backbone interact. energy: -1.079
local terms energy: -290.946751
where:
bonds (distance) C4'-P energy: -50.207
bonds (distance) P-C4' energy: -49.531
flat angles C4'-P-C4' energy: -60.604
flat angles P-C4'-P energy: -46.552
tors. eta vs tors. theta energy: -84.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -935.556301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.556301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.556301 (E_RNA)
where:
Base-Base interactions energy: -656.444
where: short stacking energy: -279.483
Base-Backbone interact. energy: -0.960
local terms energy: -278.152313
where:
bonds (distance) C4'-P energy: -52.802
bonds (distance) P-C4' energy: -38.427
flat angles C4'-P-C4' energy: -62.675
flat angles P-C4'-P energy: -40.587
tors. eta vs tors. theta energy: -83.661
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: 3, replica: 5
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -923.191040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.191040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.191040 (E_RNA)
where:
Base-Base interactions energy: -633.717
where: short stacking energy: -271.480
Base-Backbone interact. energy: -1.928
local terms energy: -287.545693
where:
bonds (distance) C4'-P energy: -45.748
bonds (distance) P-C4' energy: -58.561
flat angles C4'-P-C4' energy: -60.930
flat angles P-C4'-P energy: -39.487
tors. eta vs tors. theta energy: -82.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -890.290268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.290268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.290268 (E_RNA)
where:
Base-Base interactions energy: -623.029
where: short stacking energy: -267.450
Base-Backbone interact. energy: 0.094
local terms energy: -267.354881
where:
bonds (distance) C4'-P energy: -44.542
bonds (distance) P-C4' energy: -48.045
flat angles C4'-P-C4' energy: -59.939
flat angles P-C4'-P energy: -34.815
tors. eta vs tors. theta energy: -80.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -844.561414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.561414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.561414 (E_RNA)
where:
Base-Base interactions energy: -589.578
where: short stacking energy: -259.434
Base-Backbone interact. energy: -0.432
local terms energy: -254.551188
where:
bonds (distance) C4'-P energy: -45.742
bonds (distance) P-C4' energy: -48.737
flat angles C4'-P-C4' energy: -48.360
flat angles P-C4'-P energy: -43.874
tors. eta vs tors. theta energy: -67.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -799.190015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.190015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.190015 (E_RNA)
where:
Base-Base interactions energy: -564.069
where: short stacking energy: -238.052
Base-Backbone interact. energy: 0.078
local terms energy: -235.199488
where:
bonds (distance) C4'-P energy: -45.043
bonds (distance) P-C4' energy: -40.068
flat angles C4'-P-C4' energy: -51.394
flat angles P-C4'-P energy: -35.946
tors. eta vs tors. theta energy: -62.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -774.496644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.496644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.496644 (E_RNA)
where:
Base-Base interactions energy: -522.431
where: short stacking energy: -222.561
Base-Backbone interact. energy: -2.187
local terms energy: -249.877872
where:
bonds (distance) C4'-P energy: -40.475
bonds (distance) P-C4' energy: -47.427
flat angles C4'-P-C4' energy: -55.275
flat angles P-C4'-P energy: -42.749
tors. eta vs tors. theta energy: -63.951
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: 329
Temperature: 1.250000
Total energy: -659.804827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.804827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.804827 (E_RNA)
where:
Base-Base interactions energy: -443.304
where: short stacking energy: -187.744
Base-Backbone interact. energy: -0.626
local terms energy: -215.874624
where:
bonds (distance) C4'-P energy: -43.933
bonds (distance) P-C4' energy: -38.521
flat angles C4'-P-C4' energy: -44.637
flat angles P-C4'-P energy: -33.215
tors. eta vs tors. theta energy: -55.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -404.218580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.218580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.218580 (E_RNA)
where:
Base-Base interactions energy: -219.291
where: short stacking energy: -116.043
Base-Backbone interact. energy: -0.420
local terms energy: -184.507650
where:
bonds (distance) C4'-P energy: -41.246
bonds (distance) P-C4' energy: -50.003
flat angles C4'-P-C4' energy: -40.766
flat angles P-C4'-P energy: -29.112
tors. eta vs tors. theta energy: -23.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -301.762070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.762070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.762070 (E_RNA)
where:
Base-Base interactions energy: -142.376
where: short stacking energy: -78.582
Base-Backbone interact. energy: 0.427
local terms energy: -159.813060
where:
bonds (distance) C4'-P energy: -45.381
bonds (distance) P-C4' energy: -49.064
flat angles C4'-P-C4' energy: -33.623
flat angles P-C4'-P energy: -31.601
tors. eta vs tors. theta energy: -0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -970.534229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.534229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.534229 (E_RNA)
where:
Base-Base interactions energy: -673.158
where: short stacking energy: -293.190
Base-Backbone interact. energy: -0.977
local terms energy: -296.399051
where:
bonds (distance) C4'-P energy: -49.764
bonds (distance) P-C4' energy: -55.631
flat angles C4'-P-C4' energy: -55.835
flat angles P-C4'-P energy: -42.728
tors. eta vs tors. theta energy: -92.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -955.954028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.954028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.954028 (E_RNA)
where:
Base-Base interactions energy: -662.336
where: short stacking energy: -284.807
Base-Backbone interact. energy: -1.428
local terms energy: -292.189823
where:
bonds (distance) C4'-P energy: -49.381
bonds (distance) P-C4' energy: -48.550
flat angles C4'-P-C4' energy: -59.808
flat angles P-C4'-P energy: -49.460
tors. eta vs tors. theta energy: -84.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -914.622432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.622432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.622432 (E_RNA)
where:
Base-Base interactions energy: -640.815
where: short stacking energy: -272.106
Base-Backbone interact. energy: -1.646
local terms energy: -272.162063
where:
bonds (distance) C4'-P energy: -47.892
bonds (distance) P-C4' energy: -50.200
flat angles C4'-P-C4' energy: -57.676
flat angles P-C4'-P energy: -39.369
tors. eta vs tors. theta energy: -77.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -862.635931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.635931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.635931 (E_RNA)
where:
Base-Base interactions energy: -613.242
where: short stacking energy: -228.547
Base-Backbone interact. energy: -2.024
local terms energy: -247.369923
where:
bonds (distance) C4'-P energy: -39.176
bonds (distance) P-C4' energy: -52.493
flat angles C4'-P-C4' energy: -56.438
flat angles P-C4'-P energy: -39.568
tors. eta vs tors. theta energy: -59.695
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: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -824.283193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.283193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.283193 (E_RNA)
where:
Base-Base interactions energy: -577.482
where: short stacking energy: -240.888
Base-Backbone interact. energy: -0.899
local terms energy: -245.902174
where:
bonds (distance) C4'-P energy: -45.877
bonds (distance) P-C4' energy: -48.771
flat angles C4'-P-C4' energy: -60.206
flat angles P-C4'-P energy: -29.174
tors. eta vs tors. theta energy: -61.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -799.004750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.004750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.004750 (E_RNA)
where:
Base-Base interactions energy: -556.881
where: short stacking energy: -240.309
Base-Backbone interact. energy: -0.494
local terms energy: -241.629966
where:
bonds (distance) C4'-P energy: -43.240
bonds (distance) P-C4' energy: -54.498
flat angles C4'-P-C4' energy: -50.423
flat angles P-C4'-P energy: -29.893
tors. eta vs tors. theta energy: -63.576
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: 7
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -788.997375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.997375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.997375 (E_RNA)
where:
Base-Base interactions energy: -543.542
where: short stacking energy: -240.520
Base-Backbone interact. energy: -0.396
local terms energy: -245.060172
where:
bonds (distance) C4'-P energy: -49.949
bonds (distance) P-C4' energy: -46.593
flat angles C4'-P-C4' energy: -50.196
flat angles P-C4'-P energy: -33.658
tors. eta vs tors. theta energy: -64.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -653.214512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.214512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.214512 (E_RNA)
where:
Base-Base interactions energy: -446.527
where: short stacking energy: -185.015
Base-Backbone interact. energy: -1.647
local terms energy: -205.041286
where:
bonds (distance) C4'-P energy: -31.761
bonds (distance) P-C4' energy: -41.345
flat angles C4'-P-C4' energy: -44.031
flat angles P-C4'-P energy: -33.092
tors. eta vs tors. theta energy: -54.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -318.574907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.574907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.574907 (E_RNA)
where:
Base-Base interactions energy: -159.379
where: short stacking energy: -91.742
Base-Backbone interact. energy: -0.854
local terms energy: -158.342673
where:
bonds (distance) C4'-P energy: -40.553
bonds (distance) P-C4' energy: -49.548
flat angles C4'-P-C4' energy: -36.329
flat angles P-C4'-P energy: -24.838
tors. eta vs tors. theta energy: -7.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -380.601223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.601223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.601223 (E_RNA)
where:
Base-Base interactions energy: -198.906
where: short stacking energy: -91.878
Base-Backbone interact. energy: -1.452
local terms energy: -180.243922
where:
bonds (distance) C4'-P energy: -53.474
bonds (distance) P-C4' energy: -51.582
flat angles C4'-P-C4' energy: -48.330
flat angles P-C4'-P energy: -28.039
tors. eta vs tors. theta energy: 1.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -956.965094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.965094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.965094 (E_RNA)
where:
Base-Base interactions energy: -664.273
where: short stacking energy: -285.649
Base-Backbone interact. energy: -1.105
local terms energy: -291.586318
where:
bonds (distance) C4'-P energy: -55.978
bonds (distance) P-C4' energy: -55.159
flat angles C4'-P-C4' energy: -57.708
flat angles P-C4'-P energy: -35.482
tors. eta vs tors. theta energy: -87.260
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: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -961.526498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.526498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.526498 (E_RNA)
where:
Base-Base interactions energy: -673.192
where: short stacking energy: -285.905
Base-Backbone interact. energy: -0.860
local terms energy: -287.474521
where:
bonds (distance) C4'-P energy: -48.064
bonds (distance) P-C4' energy: -52.235
flat angles C4'-P-C4' energy: -56.976
flat angles P-C4'-P energy: -44.590
tors. eta vs tors. theta energy: -85.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -894.547668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.547668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.547668 (E_RNA)
where:
Base-Base interactions energy: -627.660
where: short stacking energy: -248.716
Base-Backbone interact. energy: -0.487
local terms energy: -266.400650
where:
bonds (distance) C4'-P energy: -51.663
bonds (distance) P-C4' energy: -52.903
flat angles C4'-P-C4' energy: -52.016
flat angles P-C4'-P energy: -35.361
tors. eta vs tors. theta energy: -74.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -876.703195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.703195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.703195 (E_RNA)
where:
Base-Base interactions energy: -595.457
where: short stacking energy: -268.077
Base-Backbone interact. energy: -0.340
local terms energy: -280.906126
where:
bonds (distance) C4'-P energy: -46.742
bonds (distance) P-C4' energy: -55.498
flat angles C4'-P-C4' energy: -60.670
flat angles P-C4'-P energy: -38.777
tors. eta vs tors. theta energy: -79.219
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: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -847.813587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.813587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.813587 (E_RNA)
where:
Base-Base interactions energy: -604.604
where: short stacking energy: -246.246
Base-Backbone interact. energy: -2.174
local terms energy: -241.035614
where:
bonds (distance) C4'-P energy: -40.697
bonds (distance) P-C4' energy: -42.487
flat angles C4'-P-C4' energy: -52.162
flat angles P-C4'-P energy: -38.355
tors. eta vs tors. theta energy: -67.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -799.874640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.874640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.874640 (E_RNA)
where:
Base-Base interactions energy: -557.121
where: short stacking energy: -240.929
Base-Backbone interact. energy: -0.269
local terms energy: -242.484593
where:
bonds (distance) C4'-P energy: -45.119
bonds (distance) P-C4' energy: -55.466
flat angles C4'-P-C4' energy: -44.386
flat angles P-C4'-P energy: -31.350
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: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -763.307344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.307344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.307344 (E_RNA)
where:
Base-Base interactions energy: -548.128
where: short stacking energy: -229.704
Base-Backbone interact. energy: 1.249
local terms energy: -216.427449
where:
bonds (distance) C4'-P energy: -44.155
bonds (distance) P-C4' energy: -29.413
flat angles C4'-P-C4' energy: -51.186
flat angles P-C4'-P energy: -36.466
tors. eta vs tors. theta energy: -55.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -568.972154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.972154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.972154 (E_RNA)
where:
Base-Base interactions energy: -369.261
where: short stacking energy: -161.140
Base-Backbone interact. energy: 0.236
local terms energy: -199.947290
where:
bonds (distance) C4'-P energy: -43.337
bonds (distance) P-C4' energy: -47.916
flat angles C4'-P-C4' energy: -39.599
flat angles P-C4'-P energy: -37.019
tors. eta vs tors. theta energy: -32.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -314.065822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.065822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.065822 (E_RNA)
where:
Base-Base interactions energy: -158.910
where: short stacking energy: -97.103
Base-Backbone interact. energy: -1.999
local terms energy: -153.156707
where:
bonds (distance) C4'-P energy: -38.682
bonds (distance) P-C4' energy: -50.262
flat angles C4'-P-C4' energy: -39.684
flat angles P-C4'-P energy: -24.165
tors. eta vs tors. theta energy: -0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -407.141016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.141016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.141016 (E_RNA)
where:
Base-Base interactions energy: -228.284
where: short stacking energy: -113.042
Base-Backbone interact. energy: -0.731
local terms energy: -178.125896
where:
bonds (distance) C4'-P energy: -46.090
bonds (distance) P-C4' energy: -43.610
flat angles C4'-P-C4' energy: -39.088
flat angles P-C4'-P energy: -29.708
tors. eta vs tors. theta energy: -19.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -992.467283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.467283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.467283 (E_RNA)
where:
Base-Base interactions energy: -686.476
where: short stacking energy: -300.948
Base-Backbone interact. energy: -1.678
local terms energy: -304.312791
where:
bonds (distance) C4'-P energy: -53.455
bonds (distance) P-C4' energy: -51.735
flat angles C4'-P-C4' energy: -64.313
flat angles P-C4'-P energy: -48.782
tors. eta vs tors. theta energy: -86.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -948.428992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.428992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.428992 (E_RNA)
where:
Base-Base interactions energy: -666.032
where: short stacking energy: -278.797
Base-Backbone interact. energy: 5.087
local terms energy: -287.483888
where:
bonds (distance) C4'-P energy: -50.039
bonds (distance) P-C4' energy: -50.297
flat angles C4'-P-C4' energy: -62.192
flat angles P-C4'-P energy: -46.728
tors. eta vs tors. theta energy: -78.228
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: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -908.698231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.698231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.698231 (E_RNA)
where:
Base-Base interactions energy: -626.679
where: short stacking energy: -273.332
Base-Backbone interact. energy: -0.928
local terms energy: -281.090992
where:
bonds (distance) C4'-P energy: -45.723
bonds (distance) P-C4' energy: -51.878
flat angles C4'-P-C4' energy: -55.409
flat angles P-C4'-P energy: -48.149
tors. eta vs tors. theta energy: -79.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -853.643458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.643458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.643458 (E_RNA)
where:
Base-Base interactions energy: -594.070
where: short stacking energy: -264.147
Base-Backbone interact. energy: -0.291
local terms energy: -259.282250
where:
bonds (distance) C4'-P energy: -48.811
bonds (distance) P-C4' energy: -32.223
flat angles C4'-P-C4' energy: -61.712
flat angles P-C4'-P energy: -36.709
tors. eta vs tors. theta energy: -79.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -859.306087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.306087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.306087 (E_RNA)
where:
Base-Base interactions energy: -605.899
where: short stacking energy: -240.017
Base-Backbone interact. energy: -2.035
local terms energy: -251.372553
where:
bonds (distance) C4'-P energy: -47.316
bonds (distance) P-C4' energy: -37.674
flat angles C4'-P-C4' energy: -56.264
flat angles P-C4'-P energy: -32.461
tors. eta vs tors. theta energy: -77.657
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: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -777.495648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.495648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.495648 (E_RNA)
where:
Base-Base interactions energy: -527.552
where: short stacking energy: -230.097
Base-Backbone interact. energy: -0.103
local terms energy: -249.841044
where:
bonds (distance) C4'-P energy: -33.651
bonds (distance) P-C4' energy: -54.349
flat angles C4'-P-C4' energy: -56.525
flat angles P-C4'-P energy: -42.665
tors. eta vs tors. theta energy: -62.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -769.580820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.580820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.580820 (E_RNA)
where:
Base-Base interactions energy: -530.641
where: short stacking energy: -222.971
Base-Backbone interact. energy: -0.894
local terms energy: -238.045858
where:
bonds (distance) C4'-P energy: -41.829
bonds (distance) P-C4' energy: -50.646
flat angles C4'-P-C4' energy: -47.611
flat angles P-C4'-P energy: -33.798
tors. eta vs tors. theta energy: -64.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -631.449760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.449760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.449760 (E_RNA)
where:
Base-Base interactions energy: -417.869
where: short stacking energy: -192.548
Base-Backbone interact. energy: -0.161
local terms energy: -213.419890
where:
bonds (distance) C4'-P energy: -44.544
bonds (distance) P-C4' energy: -46.048
flat angles C4'-P-C4' energy: -48.969
flat angles P-C4'-P energy: -23.596
tors. eta vs tors. theta energy: -50.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -405.173572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.173572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.173572 (E_RNA)
where:
Base-Base interactions energy: -240.268
where: short stacking energy: -117.395
Base-Backbone interact. energy: -1.508
local terms energy: -163.397621
where:
bonds (distance) C4'-P energy: -44.785
bonds (distance) P-C4' energy: -46.544
flat angles C4'-P-C4' energy: -28.762
flat angles P-C4'-P energy: -26.591
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -317.522231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.522231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.522231 (E_RNA)
where:
Base-Base interactions energy: -150.692
where: short stacking energy: -77.410
Base-Backbone interact. energy: -2.340
local terms energy: -164.490304
where:
bonds (distance) C4'-P energy: -31.206
bonds (distance) P-C4' energy: -50.168
flat angles C4'-P-C4' energy: -49.791
flat angles P-C4'-P energy: -30.364
tors. eta vs tors. theta energy: -2.962
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: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -986.430345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.430345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.430345 (E_RNA)
where:
Base-Base interactions energy: -679.139
where: short stacking energy: -291.551
Base-Backbone interact. energy: 0.017
local terms energy: -307.308140
where:
bonds (distance) C4'-P energy: -62.740
bonds (distance) P-C4' energy: -55.324
flat angles C4'-P-C4' energy: -61.248
flat angles P-C4'-P energy: -39.160
tors. eta vs tors. theta energy: -88.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -958.760766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.760766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.760766 (E_RNA)
where:
Base-Base interactions energy: -677.946
where: short stacking energy: -300.512
Base-Backbone interact. energy: -0.584
local terms energy: -280.230708
where:
bonds (distance) C4'-P energy: -41.992
bonds (distance) P-C4' energy: -51.939
flat angles C4'-P-C4' energy: -64.356
flat angles P-C4'-P energy: -38.970
tors. eta vs tors. theta energy: -82.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -901.109822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.109822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.109822 (E_RNA)
where:
Base-Base interactions energy: -631.494
where: short stacking energy: -272.033
Base-Backbone interact. energy: -1.174
local terms energy: -268.441880
where:
bonds (distance) C4'-P energy: -42.280
bonds (distance) P-C4' energy: -53.239
flat angles C4'-P-C4' energy: -51.420
flat angles P-C4'-P energy: -40.081
tors. eta vs tors. theta energy: -81.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -893.161830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.161830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.161830 (E_RNA)
where:
Base-Base interactions energy: -626.483
where: short stacking energy: -257.495
Base-Backbone interact. energy: -0.559
local terms energy: -266.119950
where:
bonds (distance) C4'-P energy: -47.690
bonds (distance) P-C4' energy: -50.283
flat angles C4'-P-C4' energy: -58.794
flat angles P-C4'-P energy: -37.684
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: 5, replica: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -833.332681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.332681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.332681 (E_RNA)
where:
Base-Base interactions energy: -572.887
where: short stacking energy: -263.345
Base-Backbone interact. energy: -0.623
local terms energy: -259.823389
where:
bonds (distance) C4'-P energy: -36.977
bonds (distance) P-C4' energy: -46.953
flat angles C4'-P-C4' energy: -63.756
flat angles P-C4'-P energy: -37.997
tors. eta vs tors. theta energy: -74.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -819.589724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.589724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.589724 (E_RNA)
where:
Base-Base interactions energy: -557.767
where: short stacking energy: -239.684
Base-Backbone interact. energy: -0.550
local terms energy: -261.272396
where:
bonds (distance) C4'-P energy: -49.956
bonds (distance) P-C4' energy: -51.256
flat angles C4'-P-C4' energy: -56.918
flat angles P-C4'-P energy: -36.936
tors. eta vs tors. theta energy: -66.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -766.209798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.209798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.209798 (E_RNA)
where:
Base-Base interactions energy: -537.996
where: short stacking energy: -235.339
Base-Backbone interact. energy: -1.152
local terms energy: -227.061847
where:
bonds (distance) C4'-P energy: -38.570
bonds (distance) P-C4' energy: -40.396
flat angles C4'-P-C4' energy: -50.978
flat angles P-C4'-P energy: -38.123
tors. eta vs tors. theta energy: -58.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -664.711040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.711040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.711040 (E_RNA)
where:
Base-Base interactions energy: -442.653
where: short stacking energy: -205.144
Base-Backbone interact. energy: -0.073
local terms energy: -221.985902
where:
bonds (distance) C4'-P energy: -33.994
bonds (distance) P-C4' energy: -51.492
flat angles C4'-P-C4' energy: -50.191
flat angles P-C4'-P energy: -34.872
tors. eta vs tors. theta energy: -51.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -429.433228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.433228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.433228 (E_RNA)
where:
Base-Base interactions energy: -254.000
where: short stacking energy: -131.683
Base-Backbone interact. energy: 0.246
local terms energy: -175.678717
where:
bonds (distance) C4'-P energy: -45.187
bonds (distance) P-C4' energy: -42.595
flat angles C4'-P-C4' energy: -42.902
flat angles P-C4'-P energy: -30.134
tors. eta vs tors. theta energy: -14.861
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: 8
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -311.541258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.541258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.541258 (E_RNA)
where:
Base-Base interactions energy: -164.063
where: short stacking energy: -90.632
Base-Backbone interact. energy: 0.165
local terms energy: -147.643537
where:
bonds (distance) C4'-P energy: -38.787
bonds (distance) P-C4' energy: -43.255
flat angles C4'-P-C4' energy: -38.740
flat angles P-C4'-P energy: -28.051
tors. eta vs tors. theta energy: 1.190
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: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -982.935535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.935535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.935535 (E_RNA)
where:
Base-Base interactions energy: -676.303
where: short stacking energy: -287.816
Base-Backbone interact. energy: -0.602
local terms energy: -306.030222
where:
bonds (distance) C4'-P energy: -46.617
bonds (distance) P-C4' energy: -62.829
flat angles C4'-P-C4' energy: -57.957
flat angles P-C4'-P energy: -48.324
tors. eta vs tors. theta energy: -90.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -937.735880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.735880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.735880 (E_RNA)
where:
Base-Base interactions energy: -669.814
where: short stacking energy: -272.746
Base-Backbone interact. energy: -0.166
local terms energy: -267.756417
where:
bonds (distance) C4'-P energy: -44.330
bonds (distance) P-C4' energy: -43.308
flat angles C4'-P-C4' energy: -62.716
flat angles P-C4'-P energy: -38.770
tors. eta vs tors. theta energy: -78.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -908.512403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.512403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.512403 (E_RNA)
where:
Base-Base interactions energy: -637.410
where: short stacking energy: -271.824
Base-Backbone interact. energy: -1.108
local terms energy: -269.994115
where:
bonds (distance) C4'-P energy: -43.988
bonds (distance) P-C4' energy: -54.822
flat angles C4'-P-C4' energy: -58.018
flat angles P-C4'-P energy: -37.177
tors. eta vs tors. theta energy: -75.989
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: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -891.004486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.004486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.004486 (E_RNA)
where:
Base-Base interactions energy: -616.167
where: short stacking energy: -254.510
Base-Backbone interact. energy: -0.460
local terms energy: -274.376969
where:
bonds (distance) C4'-P energy: -46.325
bonds (distance) P-C4' energy: -44.329
flat angles C4'-P-C4' energy: -58.880
flat angles P-C4'-P energy: -43.657
tors. eta vs tors. theta energy: -81.185
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: 334
Temperature: 1.100000
Total energy: -829.299864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.299864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.299864 (E_RNA)
where:
Base-Base interactions energy: -578.201
where: short stacking energy: -241.932
Base-Backbone interact. energy: 1.184
local terms energy: -252.282478
where:
bonds (distance) C4'-P energy: -48.649
bonds (distance) P-C4' energy: -47.135
flat angles C4'-P-C4' energy: -54.170
flat angles P-C4'-P energy: -32.197
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: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -823.416793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.416793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.416793 (E_RNA)
where:
Base-Base interactions energy: -564.626
where: short stacking energy: -246.013
Base-Backbone interact. energy: 2.002
local terms energy: -260.792582
where:
bonds (distance) C4'-P energy: -57.063
bonds (distance) P-C4' energy: -41.393
flat angles C4'-P-C4' energy: -50.484
flat angles P-C4'-P energy: -35.240
tors. eta vs tors. theta energy: -76.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -775.135906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.135906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.135906 (E_RNA)
where:
Base-Base interactions energy: -536.679
where: short stacking energy: -225.896
Base-Backbone interact. energy: -0.712
local terms energy: -237.745046
where:
bonds (distance) C4'-P energy: -45.489
bonds (distance) P-C4' energy: -39.257
flat angles C4'-P-C4' energy: -51.551
flat angles P-C4'-P energy: -38.610
tors. eta vs tors. theta energy: -62.838
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: 8, replica: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -662.942282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.942282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.942282 (E_RNA)
where:
Base-Base interactions energy: -447.268
where: short stacking energy: -187.509
Base-Backbone interact. energy: -0.512
local terms energy: -215.162042
where:
bonds (distance) C4'-P energy: -46.899
bonds (distance) P-C4' energy: -41.224
flat angles C4'-P-C4' energy: -46.607
flat angles P-C4'-P energy: -33.893
tors. eta vs tors. theta energy: -46.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -448.234731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.234731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.234731 (E_RNA)
where:
Base-Base interactions energy: -273.496
where: short stacking energy: -122.154
Base-Backbone interact. energy: -0.721
local terms energy: -174.017102
where:
bonds (distance) C4'-P energy: -36.393
bonds (distance) P-C4' energy: -45.897
flat angles C4'-P-C4' energy: -46.181
flat angles P-C4'-P energy: -26.196
tors. eta vs tors. theta energy: -19.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -318.179822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.179822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.179822 (E_RNA)
where:
Base-Base interactions energy: -164.116
where: short stacking energy: -96.908
Base-Backbone interact. energy: 1.016
local terms energy: -155.079901
where:
bonds (distance) C4'-P energy: -30.396
bonds (distance) P-C4' energy: -43.805
flat angles C4'-P-C4' energy: -43.832
flat angles P-C4'-P energy: -22.649
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -976.940366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.940366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.940366 (E_RNA)
where:
Base-Base interactions energy: -672.917
where: short stacking energy: -297.520
Base-Backbone interact. energy: -1.367
local terms energy: -302.656683
where:
bonds (distance) C4'-P energy: -49.871
bonds (distance) P-C4' energy: -53.979
flat angles C4'-P-C4' energy: -64.868
flat angles P-C4'-P energy: -43.389
tors. eta vs tors. theta energy: -90.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -951.168117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.168117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.168117 (E_RNA)
where:
Base-Base interactions energy: -660.686
where: short stacking energy: -291.219
Base-Backbone interact. energy: 0.802
local terms energy: -291.284698
where:
bonds (distance) C4'-P energy: -52.414
bonds (distance) P-C4' energy: -56.462
flat angles C4'-P-C4' energy: -57.538
flat angles P-C4'-P energy: -38.078
tors. eta vs tors. theta energy: -86.793
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: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -910.558445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.558445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.558445 (E_RNA)
where:
Base-Base interactions energy: -626.113
where: short stacking energy: -268.754
Base-Backbone interact. energy: -1.547
local terms energy: -282.899012
where:
bonds (distance) C4'-P energy: -43.695
bonds (distance) P-C4' energy: -50.798
flat angles C4'-P-C4' energy: -62.364
flat angles P-C4'-P energy: -40.290
tors. eta vs tors. theta energy: -85.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -889.634260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.634260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.634260 (E_RNA)
where:
Base-Base interactions energy: -611.520
where: short stacking energy: -259.828
Base-Backbone interact. energy: -0.536
local terms energy: -277.577534
where:
bonds (distance) C4'-P energy: -44.942
bonds (distance) P-C4' energy: -49.032
flat angles C4'-P-C4' energy: -55.797
flat angles P-C4'-P energy: -45.334
tors. eta vs tors. theta energy: -82.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -816.022038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.022038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.022038 (E_RNA)
where:
Base-Base interactions energy: -549.067
where: short stacking energy: -234.168
Base-Backbone interact. energy: -0.102
local terms energy: -266.853244
where:
bonds (distance) C4'-P energy: -48.798
bonds (distance) P-C4' energy: -54.940
flat angles C4'-P-C4' energy: -57.981
flat angles P-C4'-P energy: -38.913
tors. eta vs tors. theta energy: -66.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -828.735735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.735735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.735735 (E_RNA)
where:
Base-Base interactions energy: -582.439
where: short stacking energy: -261.132
Base-Backbone interact. energy: -0.422
local terms energy: -245.874733
where:
bonds (distance) C4'-P energy: -40.964
bonds (distance) P-C4' energy: -39.269
flat angles C4'-P-C4' energy: -56.839
flat angles P-C4'-P energy: -37.289
tors. eta vs tors. theta energy: -71.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -777.096149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.096149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.096149 (E_RNA)
where:
Base-Base interactions energy: -531.093
where: short stacking energy: -214.723
Base-Backbone interact. energy: -0.181
local terms energy: -245.822500
where:
bonds (distance) C4'-P energy: -46.071
bonds (distance) P-C4' energy: -41.954
flat angles C4'-P-C4' energy: -59.229
flat angles P-C4'-P energy: -40.139
tors. eta vs tors. theta energy: -58.429
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: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -674.987130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.987130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.987130 (E_RNA)
where:
Base-Base interactions energy: -448.744
where: short stacking energy: -191.664
Base-Backbone interact. energy: -1.238
local terms energy: -225.005390
where:
bonds (distance) C4'-P energy: -47.125
bonds (distance) P-C4' energy: -39.940
flat angles C4'-P-C4' energy: -51.460
flat angles P-C4'-P energy: -34.486
tors. eta vs tors. theta energy: -51.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -407.146146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.146146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.146146 (E_RNA)
where:
Base-Base interactions energy: -244.122
where: short stacking energy: -120.262
Base-Backbone interact. energy: 0.275
local terms energy: -163.299525
where:
bonds (distance) C4'-P energy: -30.708
bonds (distance) P-C4' energy: -39.764
flat angles C4'-P-C4' energy: -52.628
flat angles P-C4'-P energy: -26.931
tors. eta vs tors. theta energy: -13.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -271.391993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.391993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.391993 (E_RNA)
where:
Base-Base interactions energy: -131.856
where: short stacking energy: -78.056
Base-Backbone interact. energy: 2.666
local terms energy: -142.201734
where:
bonds (distance) C4'-P energy: -34.392
bonds (distance) P-C4' energy: -38.675
flat angles C4'-P-C4' energy: -47.967
flat angles P-C4'-P energy: -20.733
tors. eta vs tors. theta energy: -0.435
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: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -987.868084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.868084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.868084 (E_RNA)
where:
Base-Base interactions energy: -675.249
where: short stacking energy: -306.689
Base-Backbone interact. energy: -0.937
local terms energy: -311.681965
where:
bonds (distance) C4'-P energy: -50.643
bonds (distance) P-C4' energy: -52.499
flat angles C4'-P-C4' energy: -69.795
flat angles P-C4'-P energy: -44.096
tors. eta vs tors. theta energy: -94.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -953.700488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.700488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.700488 (E_RNA)
where:
Base-Base interactions energy: -656.117
where: short stacking energy: -279.726
Base-Backbone interact. energy: -1.415
local terms energy: -296.168692
where:
bonds (distance) C4'-P energy: -54.421
bonds (distance) P-C4' energy: -50.585
flat angles C4'-P-C4' energy: -57.843
flat angles P-C4'-P energy: -40.277
tors. eta vs tors. theta energy: -93.043
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: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -921.561170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.561170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.561170 (E_RNA)
where:
Base-Base interactions energy: -641.462
where: short stacking energy: -280.020
Base-Backbone interact. energy: -2.058
local terms energy: -278.040966
where:
bonds (distance) C4'-P energy: -49.376
bonds (distance) P-C4' energy: -45.757
flat angles C4'-P-C4' energy: -56.856
flat angles P-C4'-P energy: -39.970
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: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -886.350875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.350875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.350875 (E_RNA)
where:
Base-Base interactions energy: -620.434
where: short stacking energy: -259.313
Base-Backbone interact. energy: -1.086
local terms energy: -264.830952
where:
bonds (distance) C4'-P energy: -51.915
bonds (distance) P-C4' energy: -39.968
flat angles C4'-P-C4' energy: -60.051
flat angles P-C4'-P energy: -29.683
tors. eta vs tors. theta energy: -83.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -826.218249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.218249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.218249 (E_RNA)
where:
Base-Base interactions energy: -578.639
where: short stacking energy: -250.351
Base-Backbone interact. energy: 0.283
local terms energy: -247.862020
where:
bonds (distance) C4'-P energy: -44.722
bonds (distance) P-C4' energy: -44.805
flat angles C4'-P-C4' energy: -57.692
flat angles P-C4'-P energy: -30.587
tors. eta vs tors. theta energy: -70.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -800.294465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.294465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.294465 (E_RNA)
where:
Base-Base interactions energy: -571.869
where: short stacking energy: -237.241
Base-Backbone interact. energy: -0.064
local terms energy: -228.361400
where:
bonds (distance) C4'-P energy: -38.943
bonds (distance) P-C4' energy: -40.929
flat angles C4'-P-C4' energy: -57.939
flat angles P-C4'-P energy: -29.649
tors. eta vs tors. theta energy: -60.901
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: 3
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -762.871250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.871250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.871250 (E_RNA)
where:
Base-Base interactions energy: -525.983
where: short stacking energy: -227.943
Base-Backbone interact. energy: -0.375
local terms energy: -236.513054
where:
bonds (distance) C4'-P energy: -41.959
bonds (distance) P-C4' energy: -44.672
flat angles C4'-P-C4' energy: -52.189
flat angles P-C4'-P energy: -37.163
tors. eta vs tors. theta energy: -60.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -660.024806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.024806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.024806 (E_RNA)
where:
Base-Base interactions energy: -452.735
where: short stacking energy: -201.495
Base-Backbone interact. energy: -0.852
local terms energy: -206.437348
where:
bonds (distance) C4'-P energy: -29.125
bonds (distance) P-C4' energy: -43.763
flat angles C4'-P-C4' energy: -50.502
flat angles P-C4'-P energy: -29.864
tors. eta vs tors. theta energy: -53.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -425.928529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.928529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.928529 (E_RNA)
where:
Base-Base interactions energy: -264.555
where: short stacking energy: -138.545
Base-Backbone interact. energy: 2.679
local terms energy: -164.052585
where:
bonds (distance) C4'-P energy: -39.290
bonds (distance) P-C4' energy: -34.210
flat angles C4'-P-C4' energy: -50.489
flat angles P-C4'-P energy: -20.090
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -305.189020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.189020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.189020 (E_RNA)
where:
Base-Base interactions energy: -160.138
where: short stacking energy: -87.935
Base-Backbone interact. energy: -1.021
local terms energy: -144.030589
where:
bonds (distance) C4'-P energy: -48.827
bonds (distance) P-C4' energy: -36.970
flat angles C4'-P-C4' energy: -34.246
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -8.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -981.762640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.762640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.762640 (E_RNA)
where:
Base-Base interactions energy: -684.720
where: short stacking energy: -285.933
Base-Backbone interact. energy: 0.825
local terms energy: -297.867785
where:
bonds (distance) C4'-P energy: -46.771
bonds (distance) P-C4' energy: -53.735
flat angles C4'-P-C4' energy: -66.567
flat angles P-C4'-P energy: -38.609
tors. eta vs tors. theta energy: -92.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -922.923234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.923234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.923234 (E_RNA)
where:
Base-Base interactions energy: -640.288
where: short stacking energy: -275.389
Base-Backbone interact. energy: -0.240
local terms energy: -282.394880
where:
bonds (distance) C4'-P energy: -50.954
bonds (distance) P-C4' energy: -41.028
flat angles C4'-P-C4' energy: -56.753
flat angles P-C4'-P energy: -49.184
tors. eta vs tors. theta energy: -84.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -936.532114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.532114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.532114 (E_RNA)
where:
Base-Base interactions energy: -647.669
where: short stacking energy: -267.341
Base-Backbone interact. energy: -0.660
local terms energy: -288.202187
where:
bonds (distance) C4'-P energy: -46.735
bonds (distance) P-C4' energy: -48.232
flat angles C4'-P-C4' energy: -62.301
flat angles P-C4'-P energy: -46.455
tors. eta vs tors. theta energy: -84.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -884.567179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.567179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.567179 (E_RNA)
where:
Base-Base interactions energy: -618.267
where: short stacking energy: -262.627
Base-Backbone interact. energy: -0.985
local terms energy: -265.315762
where:
bonds (distance) C4'-P energy: -45.622
bonds (distance) P-C4' energy: -48.540
flat angles C4'-P-C4' energy: -55.237
flat angles P-C4'-P energy: -39.917
tors. eta vs tors. theta energy: -76.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -834.343488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.343488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.343488 (E_RNA)
where:
Base-Base interactions energy: -579.573
where: short stacking energy: -248.317
Base-Backbone interact. energy: -1.798
local terms energy: -252.972213
where:
bonds (distance) C4'-P energy: -44.910
bonds (distance) P-C4' energy: -49.955
flat angles C4'-P-C4' energy: -46.512
flat angles P-C4'-P energy: -40.278
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: 6, replica: 3
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -802.106054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.106054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.106054 (E_RNA)
where:
Base-Base interactions energy: -540.198
where: short stacking energy: -230.233
Base-Backbone interact. energy: -0.208
local terms energy: -261.699975
where:
bonds (distance) C4'-P energy: -49.142
bonds (distance) P-C4' energy: -46.616
flat angles C4'-P-C4' energy: -59.358
flat angles P-C4'-P energy: -39.613
tors. eta vs tors. theta energy: -66.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -774.075905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.075905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.075905 (E_RNA)
where:
Base-Base interactions energy: -548.423
where: short stacking energy: -235.810
Base-Backbone interact. energy: -0.076
local terms energy: -225.576632
where:
bonds (distance) C4'-P energy: -42.913
bonds (distance) P-C4' energy: -49.447
flat angles C4'-P-C4' energy: -43.622
flat angles P-C4'-P energy: -30.831
tors. eta vs tors. theta energy: -58.764
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: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -670.718579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.718579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.718579 (E_RNA)
where:
Base-Base interactions energy: -464.962
where: short stacking energy: -189.087
Base-Backbone interact. energy: -0.420
local terms energy: -205.336338
where:
bonds (distance) C4'-P energy: -37.852
bonds (distance) P-C4' energy: -45.231
flat angles C4'-P-C4' energy: -47.109
flat angles P-C4'-P energy: -36.915
tors. eta vs tors. theta energy: -38.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -423.695490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.695490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.695490 (E_RNA)
where:
Base-Base interactions energy: -246.606
where: short stacking energy: -127.307
Base-Backbone interact. energy: 0.494
local terms energy: -177.583136
where:
bonds (distance) C4'-P energy: -43.918
bonds (distance) P-C4' energy: -45.075
flat angles C4'-P-C4' energy: -44.261
flat angles P-C4'-P energy: -31.093
tors. eta vs tors. theta energy: -13.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -315.692318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.692318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.692318 (E_RNA)
where:
Base-Base interactions energy: -149.874
where: short stacking energy: -89.867
Base-Backbone interact. energy: -1.141
local terms energy: -164.677176
where:
bonds (distance) C4'-P energy: -46.835
bonds (distance) P-C4' energy: -41.086
flat angles C4'-P-C4' energy: -41.190
flat angles P-C4'-P energy: -29.110
tors. eta vs tors. theta energy: -6.456
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: 338
Temperature: 0.900000
Total energy: -974.902364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.902364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.902364 (E_RNA)
where:
Base-Base interactions energy: -674.627
where: short stacking energy: -288.582
Base-Backbone interact. energy: -1.046
local terms energy: -299.230119
where:
bonds (distance) C4'-P energy: -56.611
bonds (distance) P-C4' energy: -50.205
flat angles C4'-P-C4' energy: -65.103
flat angles P-C4'-P energy: -37.772
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: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -926.653609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.653609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.653609 (E_RNA)
where:
Base-Base interactions energy: -644.757
where: short stacking energy: -287.496
Base-Backbone interact. energy: -0.763
local terms energy: -281.133395
where:
bonds (distance) C4'-P energy: -51.619
bonds (distance) P-C4' energy: -47.856
flat angles C4'-P-C4' energy: -58.056
flat angles P-C4'-P energy: -37.743
tors. eta vs tors. theta energy: -85.859
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: 338
Temperature: 1.000000
Total energy: -944.694839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.694839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.694839 (E_RNA)
where:
Base-Base interactions energy: -668.433
where: short stacking energy: -293.210
Base-Backbone interact. energy: 4.390
local terms energy: -280.652498
where:
bonds (distance) C4'-P energy: -47.740
bonds (distance) P-C4' energy: -51.293
flat angles C4'-P-C4' energy: -61.393
flat angles P-C4'-P energy: -42.044
tors. eta vs tors. theta energy: -78.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -893.642607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.642607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.642607 (E_RNA)
where:
Base-Base interactions energy: -630.612
where: short stacking energy: -261.798
Base-Backbone interact. energy: -1.004
local terms energy: -262.026399
where:
bonds (distance) C4'-P energy: -38.919
bonds (distance) P-C4' energy: -47.288
flat angles C4'-P-C4' energy: -60.395
flat angles P-C4'-P energy: -32.743
tors. eta vs tors. theta energy: -82.681
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: 5, replica: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -826.905961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.905961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.905961 (E_RNA)
where:
Base-Base interactions energy: -576.961
where: short stacking energy: -246.338
Base-Backbone interact. energy: -0.301
local terms energy: -249.644910
where:
bonds (distance) C4'-P energy: -53.689
bonds (distance) P-C4' energy: -39.948
flat angles C4'-P-C4' energy: -51.727
flat angles P-C4'-P energy: -31.061
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: 6, replica: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -805.154569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.154569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.154569 (E_RNA)
where:
Base-Base interactions energy: -534.668
where: short stacking energy: -239.577
Base-Backbone interact. energy: 2.952
local terms energy: -273.438206
where:
bonds (distance) C4'-P energy: -52.091
bonds (distance) P-C4' energy: -55.520
flat angles C4'-P-C4' energy: -58.041
flat angles P-C4'-P energy: -38.652
tors. eta vs tors. theta energy: -69.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -778.784209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.784209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.784209 (E_RNA)
where:
Base-Base interactions energy: -531.015
where: short stacking energy: -225.313
Base-Backbone interact. energy: -0.464
local terms energy: -247.304386
where:
bonds (distance) C4'-P energy: -43.349
bonds (distance) P-C4' energy: -52.386
flat angles C4'-P-C4' energy: -55.513
flat angles P-C4'-P energy: -30.170
tors. eta vs tors. theta energy: -65.886
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: 8, replica: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -652.068559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.068559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.068559 (E_RNA)
where:
Base-Base interactions energy: -441.945
where: short stacking energy: -182.868
Base-Backbone interact. energy: 0.289
local terms energy: -210.412687
where:
bonds (distance) C4'-P energy: -52.416
bonds (distance) P-C4' energy: -34.646
flat angles C4'-P-C4' energy: -56.103
flat angles P-C4'-P energy: -25.001
tors. eta vs tors. theta energy: -42.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -447.290425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.290425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.290425 (E_RNA)
where:
Base-Base interactions energy: -270.253
where: short stacking energy: -120.352
Base-Backbone interact. energy: 0.397
local terms energy: -177.435230
where:
bonds (distance) C4'-P energy: -46.465
bonds (distance) P-C4' energy: -39.672
flat angles C4'-P-C4' energy: -42.324
flat angles P-C4'-P energy: -29.071
tors. eta vs tors. theta energy: -19.904
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: 8
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -222.939943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.939943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.939943 (E_RNA)
where:
Base-Base interactions energy: -63.213
where: short stacking energy: -50.312
Base-Backbone interact. energy: 2.647
local terms energy: -162.374126
where:
bonds (distance) C4'-P energy: -56.327
bonds (distance) P-C4' energy: -51.243
flat angles C4'-P-C4' energy: -41.751
flat angles P-C4'-P energy: -29.134
tors. eta vs tors. theta energy: 16.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -980.534451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.534451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.534451 (E_RNA)
where:
Base-Base interactions energy: -683.981
where: short stacking energy: -298.981
Base-Backbone interact. energy: -0.994
local terms energy: -295.559027
where:
bonds (distance) C4'-P energy: -49.876
bonds (distance) P-C4' energy: -50.116
flat angles C4'-P-C4' energy: -63.724
flat angles P-C4'-P energy: -45.376
tors. eta vs tors. theta energy: -86.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -960.681585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.681585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.681585 (E_RNA)
where:
Base-Base interactions energy: -660.542
where: short stacking energy: -289.910
Base-Backbone interact. energy: -0.044
local terms energy: -300.095595
where:
bonds (distance) C4'-P energy: -51.373
bonds (distance) P-C4' energy: -59.741
flat angles C4'-P-C4' energy: -61.054
flat angles P-C4'-P energy: -35.370
tors. eta vs tors. theta energy: -92.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -913.363765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.363765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.363765 (E_RNA)
where:
Base-Base interactions energy: -656.071
where: short stacking energy: -280.774
Base-Backbone interact. energy: 1.459
local terms energy: -258.751318
where:
bonds (distance) C4'-P energy: -40.204
bonds (distance) P-C4' energy: -48.982
flat angles C4'-P-C4' energy: -54.710
flat angles P-C4'-P energy: -32.773
tors. eta vs tors. theta energy: -82.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -879.607438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.607438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.607438 (E_RNA)
where:
Base-Base interactions energy: -615.258
where: short stacking energy: -260.258
Base-Backbone interact. energy: -1.112
local terms energy: -263.237622
where:
bonds (distance) C4'-P energy: -51.533
bonds (distance) P-C4' energy: -40.202
flat angles C4'-P-C4' energy: -64.647
flat angles P-C4'-P energy: -36.476
tors. eta vs tors. theta energy: -70.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -805.345923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.345923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.345923 (E_RNA)
where:
Base-Base interactions energy: -564.453
where: short stacking energy: -230.075
Base-Backbone interact. energy: -1.637
local terms energy: -239.256010
where:
bonds (distance) C4'-P energy: -42.204
bonds (distance) P-C4' energy: -50.263
flat angles C4'-P-C4' energy: -50.088
flat angles P-C4'-P energy: -33.131
tors. eta vs tors. theta energy: -63.570
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: 1
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -800.229252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.229252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.229252 (E_RNA)
where:
Base-Base interactions energy: -553.184
where: short stacking energy: -228.479
Base-Backbone interact. energy: -0.034
local terms energy: -247.011038
where:
bonds (distance) C4'-P energy: -52.012
bonds (distance) P-C4' energy: -47.502
flat angles C4'-P-C4' energy: -50.863
flat angles P-C4'-P energy: -28.242
tors. eta vs tors. theta energy: -68.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -779.597350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.597350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.597350 (E_RNA)
where:
Base-Base interactions energy: -527.904
where: short stacking energy: -229.827
Base-Backbone interact. energy: -0.167
local terms energy: -251.526669
where:
bonds (distance) C4'-P energy: -45.533
bonds (distance) P-C4' energy: -44.107
flat angles C4'-P-C4' energy: -56.813
flat angles P-C4'-P energy: -42.367
tors. eta vs tors. theta energy: -62.707
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: 339
Temperature: 1.250000
Total energy: -696.590770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.590770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.590770 (E_RNA)
where:
Base-Base interactions energy: -469.011
where: short stacking energy: -187.528
Base-Backbone interact. energy: -2.077
local terms energy: -225.502721
where:
bonds (distance) C4'-P energy: -46.752
bonds (distance) P-C4' energy: -44.618
flat angles C4'-P-C4' energy: -52.128
flat angles P-C4'-P energy: -27.389
tors. eta vs tors. theta energy: -54.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -407.387502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.387502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.387502 (E_RNA)
where:
Base-Base interactions energy: -223.026
where: short stacking energy: -104.340
Base-Backbone interact. energy: 2.626
local terms energy: -186.987801
where:
bonds (distance) C4'-P energy: -48.160
bonds (distance) P-C4' energy: -41.464
flat angles C4'-P-C4' energy: -41.876
flat angles P-C4'-P energy: -34.735
tors. eta vs tors. theta energy: -20.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -251.003662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.003662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.003662 (E_RNA)
where:
Base-Base interactions energy: -88.048
where: short stacking energy: -72.844
Base-Backbone interact. energy: -1.832
local terms energy: -161.124337
where:
bonds (distance) C4'-P energy: -41.755
bonds (distance) P-C4' energy: -51.487
flat angles C4'-P-C4' energy: -39.790
flat angles P-C4'-P energy: -21.373
tors. eta vs tors. theta energy: -6.720
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: 9
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -984.769993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.769993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.769993 (E_RNA)
where:
Base-Base interactions energy: -676.823
where: short stacking energy: -306.848
Base-Backbone interact. energy: -0.812
local terms energy: -307.134467
where:
bonds (distance) C4'-P energy: -60.118
bonds (distance) P-C4' energy: -53.186
flat angles C4'-P-C4' energy: -59.307
flat angles P-C4'-P energy: -43.125
tors. eta vs tors. theta energy: -91.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -965.652760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.652760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.652760 (E_RNA)
where:
Base-Base interactions energy: -686.605
where: short stacking energy: -301.297
Base-Backbone interact. energy: -1.482
local terms energy: -277.565443
where:
bonds (distance) C4'-P energy: -42.011
bonds (distance) P-C4' energy: -44.843
flat angles C4'-P-C4' energy: -63.475
flat angles P-C4'-P energy: -39.895
tors. eta vs tors. theta energy: -87.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -904.146893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.146893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.146893 (E_RNA)
where:
Base-Base interactions energy: -636.599
where: short stacking energy: -268.092
Base-Backbone interact. energy: 0.486
local terms energy: -268.033526
where:
bonds (distance) C4'-P energy: -50.715
bonds (distance) P-C4' energy: -47.940
flat angles C4'-P-C4' energy: -61.577
flat angles P-C4'-P energy: -34.433
tors. eta vs tors. theta energy: -73.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -854.525956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.525956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.525956 (E_RNA)
where:
Base-Base interactions energy: -589.436
where: short stacking energy: -243.339
Base-Backbone interact. energy: -0.457
local terms energy: -264.632972
where:
bonds (distance) C4'-P energy: -44.468
bonds (distance) P-C4' energy: -52.830
flat angles C4'-P-C4' energy: -60.582
flat angles P-C4'-P energy: -33.320
tors. eta vs tors. theta energy: -73.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -813.891110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.891110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.891110 (E_RNA)
where:
Base-Base interactions energy: -557.707
where: short stacking energy: -247.896
Base-Backbone interact. energy: 0.232
local terms energy: -256.416215
where:
bonds (distance) C4'-P energy: -44.393
bonds (distance) P-C4' energy: -49.176
flat angles C4'-P-C4' energy: -53.359
flat angles P-C4'-P energy: -41.503
tors. eta vs tors. theta energy: -67.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -805.032122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.032122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.032122 (E_RNA)
where:
Base-Base interactions energy: -540.715
where: short stacking energy: -232.700
Base-Backbone interact. energy: -0.713
local terms energy: -263.604221
where:
bonds (distance) C4'-P energy: -51.472
bonds (distance) P-C4' energy: -49.153
flat angles C4'-P-C4' energy: -64.269
flat angles P-C4'-P energy: -37.179
tors. eta vs tors. theta energy: -61.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -780.908974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.908974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.908974 (E_RNA)
where:
Base-Base interactions energy: -564.435
where: short stacking energy: -237.304
Base-Backbone interact. energy: -0.894
local terms energy: -215.578995
where:
bonds (distance) C4'-P energy: -41.477
bonds (distance) P-C4' energy: -37.520
flat angles C4'-P-C4' energy: -44.470
flat angles P-C4'-P energy: -26.957
tors. eta vs tors. theta energy: -65.156
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: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -680.379408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.379408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.379408 (E_RNA)
where:
Base-Base interactions energy: -468.008
where: short stacking energy: -204.374
Base-Backbone interact. energy: -0.295
local terms energy: -212.076489
where:
bonds (distance) C4'-P energy: -41.101
bonds (distance) P-C4' energy: -41.441
flat angles C4'-P-C4' energy: -44.649
flat angles P-C4'-P energy: -20.646
tors. eta vs tors. theta energy: -64.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -438.188382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.188382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.188382 (E_RNA)
where:
Base-Base interactions energy: -273.336
where: short stacking energy: -138.148
Base-Backbone interact. energy: 1.247
local terms energy: -166.099441
where:
bonds (distance) C4'-P energy: -38.980
bonds (distance) P-C4' energy: -36.167
flat angles C4'-P-C4' energy: -48.790
flat angles P-C4'-P energy: -26.087
tors. eta vs tors. theta energy: -16.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -236.289433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.289433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.289433 (E_RNA)
where:
Base-Base interactions energy: -95.829
where: short stacking energy: -67.778
Base-Backbone interact. energy: 2.379
local terms energy: -142.840115
where:
bonds (distance) C4'-P energy: -35.423
bonds (distance) P-C4' energy: -52.002
flat angles C4'-P-C4' energy: -35.460
flat angles P-C4'-P energy: -21.366
tors. eta vs tors. theta energy: 1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -961.490266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.490266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.490266 (E_RNA)
where:
Base-Base interactions energy: -666.042
where: short stacking energy: -283.995
Base-Backbone interact. energy: -0.811
local terms energy: -294.636939
where:
bonds (distance) C4'-P energy: -50.249
bonds (distance) P-C4' energy: -63.526
flat angles C4'-P-C4' energy: -55.472
flat angles P-C4'-P energy: -41.750
tors. eta vs tors. theta energy: -83.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -927.951364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.951364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.951364 (E_RNA)
where:
Base-Base interactions energy: -660.258
where: short stacking energy: -270.269
Base-Backbone interact. energy: -0.317
local terms energy: -267.376040
where:
bonds (distance) C4'-P energy: -47.544
bonds (distance) P-C4' energy: -55.801
flat angles C4'-P-C4' energy: -55.786
flat angles P-C4'-P energy: -28.688
tors. eta vs tors. theta energy: -79.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -932.958092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.958092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.958092 (E_RNA)
where:
Base-Base interactions energy: -655.680
where: short stacking energy: -281.365
Base-Backbone interact. energy: -1.866
local terms energy: -275.411533
where:
bonds (distance) C4'-P energy: -50.195
bonds (distance) P-C4' energy: -50.510
flat angles C4'-P-C4' energy: -59.117
flat angles P-C4'-P energy: -30.882
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: 4, replica: 5
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -889.591559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.591559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.591559 (E_RNA)
where:
Base-Base interactions energy: -625.089
where: short stacking energy: -263.333
Base-Backbone interact. energy: -0.220
local terms energy: -264.282467
where:
bonds (distance) C4'-P energy: -43.373
bonds (distance) P-C4' energy: -52.482
flat angles C4'-P-C4' energy: -58.792
flat angles P-C4'-P energy: -35.174
tors. eta vs tors. theta energy: -74.461
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: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -841.128058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.128058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.128058 (E_RNA)
where:
Base-Base interactions energy: -578.748
where: short stacking energy: -245.239
Base-Backbone interact. energy: -0.463
local terms energy: -261.917563
where:
bonds (distance) C4'-P energy: -47.359
bonds (distance) P-C4' energy: -45.220
flat angles C4'-P-C4' energy: -55.690
flat angles P-C4'-P energy: -37.192
tors. eta vs tors. theta energy: -76.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -784.803974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.803974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.803974 (E_RNA)
where:
Base-Base interactions energy: -540.496
where: short stacking energy: -238.198
Base-Backbone interact. energy: -0.332
local terms energy: -243.976209
where:
bonds (distance) C4'-P energy: -49.819
bonds (distance) P-C4' energy: -43.793
flat angles C4'-P-C4' energy: -58.747
flat angles P-C4'-P energy: -29.466
tors. eta vs tors. theta energy: -62.152
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: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -769.669744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.669744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.669744 (E_RNA)
where:
Base-Base interactions energy: -530.263
where: short stacking energy: -222.124
Base-Backbone interact. energy: 0.554
local terms energy: -239.960197
where:
bonds (distance) C4'-P energy: -44.095
bonds (distance) P-C4' energy: -44.075
flat angles C4'-P-C4' energy: -50.996
flat angles P-C4'-P energy: -35.646
tors. eta vs tors. theta energy: -65.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -682.639332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.639332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.639332 (E_RNA)
where:
Base-Base interactions energy: -466.481
where: short stacking energy: -212.017
Base-Backbone interact. energy: -0.788
local terms energy: -215.371026
where:
bonds (distance) C4'-P energy: -42.952
bonds (distance) P-C4' energy: -39.774
flat angles C4'-P-C4' energy: -43.917
flat angles P-C4'-P energy: -31.390
tors. eta vs tors. theta energy: -57.338
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: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -473.821299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.821299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.821299 (E_RNA)
where:
Base-Base interactions energy: -285.343
where: short stacking energy: -148.153
Base-Backbone interact. energy: -0.518
local terms energy: -187.960810
where:
bonds (distance) C4'-P energy: -38.104
bonds (distance) P-C4' energy: -37.318
flat angles C4'-P-C4' energy: -43.650
flat angles P-C4'-P energy: -36.946
tors. eta vs tors. theta energy: -31.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -214.812943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.812943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.812943 (E_RNA)
where:
Base-Base interactions energy: -86.119
where: short stacking energy: -62.744
Base-Backbone interact. energy: 0.440
local terms energy: -129.133922
where:
bonds (distance) C4'-P energy: -34.856
bonds (distance) P-C4' energy: -47.418
flat angles C4'-P-C4' energy: -32.779
flat angles P-C4'-P energy: -22.486
tors. eta vs tors. theta energy: 8.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -962.158052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.158052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.158052 (E_RNA)
where:
Base-Base interactions energy: -670.828
where: short stacking energy: -295.005
Base-Backbone interact. energy: -0.770
local terms energy: -290.559804
where:
bonds (distance) C4'-P energy: -53.049
bonds (distance) P-C4' energy: -52.831
flat angles C4'-P-C4' energy: -62.033
flat angles P-C4'-P energy: -33.704
tors. eta vs tors. theta energy: -88.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -949.113368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.113368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.113368 (E_RNA)
where:
Base-Base interactions energy: -668.659
where: short stacking energy: -284.618
Base-Backbone interact. energy: -0.750
local terms energy: -279.704267
where:
bonds (distance) C4'-P energy: -45.837
bonds (distance) P-C4' energy: -53.924
flat angles C4'-P-C4' energy: -62.704
flat angles P-C4'-P energy: -36.332
tors. eta vs tors. theta energy: -80.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -893.698376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.698376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.698376 (E_RNA)
where:
Base-Base interactions energy: -623.659
where: short stacking energy: -272.593
Base-Backbone interact. energy: -1.802
local terms energy: -268.237300
where:
bonds (distance) C4'-P energy: -38.159
bonds (distance) P-C4' energy: -42.731
flat angles C4'-P-C4' energy: -57.678
flat angles P-C4'-P energy: -50.315
tors. eta vs tors. theta energy: -79.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -902.113306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.113306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.113306 (E_RNA)
where:
Base-Base interactions energy: -627.901
where: short stacking energy: -260.353
Base-Backbone interact. energy: -0.828
local terms energy: -273.384264
where:
bonds (distance) C4'-P energy: -53.340
bonds (distance) P-C4' energy: -50.143
flat angles C4'-P-C4' energy: -55.745
flat angles P-C4'-P energy: -31.176
tors. eta vs tors. theta energy: -82.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -833.399495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.399495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.399495 (E_RNA)
where:
Base-Base interactions energy: -578.107
where: short stacking energy: -251.671
Base-Backbone interact. energy: -1.097
local terms energy: -254.195150
where:
bonds (distance) C4'-P energy: -43.041
bonds (distance) P-C4' energy: -50.591
flat angles C4'-P-C4' energy: -52.651
flat angles P-C4'-P energy: -34.357
tors. eta vs tors. theta energy: -73.555
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: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -787.943816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.943816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.943816 (E_RNA)
where:
Base-Base interactions energy: -532.612
where: short stacking energy: -221.213
Base-Backbone interact. energy: 0.381
local terms energy: -255.712274
where:
bonds (distance) C4'-P energy: -38.160
bonds (distance) P-C4' energy: -48.997
flat angles C4'-P-C4' energy: -61.049
flat angles P-C4'-P energy: -41.981
tors. eta vs tors. theta energy: -65.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -672.454955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.454955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.454955 (E_RNA)
where:
Base-Base interactions energy: -462.692
where: short stacking energy: -186.303
Base-Backbone interact. energy: -0.781
local terms energy: -208.982405
where:
bonds (distance) C4'-P energy: -39.349
bonds (distance) P-C4' energy: -50.857
flat angles C4'-P-C4' energy: -44.374
flat angles P-C4'-P energy: -32.188
tors. eta vs tors. theta energy: -42.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -727.491056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.491056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.491056 (E_RNA)
where:
Base-Base interactions energy: -500.448
where: short stacking energy: -204.120
Base-Backbone interact. energy: -0.534
local terms energy: -226.508843
where:
bonds (distance) C4'-P energy: -27.846
bonds (distance) P-C4' energy: -44.462
flat angles C4'-P-C4' energy: -54.592
flat angles P-C4'-P energy: -40.678
tors. eta vs tors. theta energy: -58.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -477.363899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.363899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.363899 (E_RNA)
where:
Base-Base interactions energy: -278.212
where: short stacking energy: -131.599
Base-Backbone interact. energy: -1.250
local terms energy: -197.901460
where:
bonds (distance) C4'-P energy: -42.487
bonds (distance) P-C4' energy: -51.153
flat angles C4'-P-C4' energy: -44.870
flat angles P-C4'-P energy: -27.222
tors. eta vs tors. theta energy: -32.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -230.045637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.045637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.045637 (E_RNA)
where:
Base-Base interactions energy: -79.340
where: short stacking energy: -62.992
Base-Backbone interact. energy: -1.248
local terms energy: -149.457660
where:
bonds (distance) C4'-P energy: -45.682
bonds (distance) P-C4' energy: -46.609
flat angles C4'-P-C4' energy: -37.470
flat angles P-C4'-P energy: -24.869
tors. eta vs tors. theta energy: 5.172
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: 1, replica: 9
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -952.745935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.745935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.745935 (E_RNA)
where:
Base-Base interactions energy: -656.176
where: short stacking energy: -287.128
Base-Backbone interact. energy: 0.629
local terms energy: -297.199208
where:
bonds (distance) C4'-P energy: -45.906
bonds (distance) P-C4' energy: -57.702
flat angles C4'-P-C4' energy: -61.934
flat angles P-C4'-P energy: -43.815
tors. eta vs tors. theta energy: -87.842
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: 2, replica: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -930.202069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.202069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.202069 (E_RNA)
where:
Base-Base interactions energy: -650.142
where: short stacking energy: -256.013
Base-Backbone interact. energy: -0.054
local terms energy: -280.006401
where:
bonds (distance) C4'-P energy: -53.346
bonds (distance) P-C4' energy: -47.797
flat angles C4'-P-C4' energy: -58.172
flat angles P-C4'-P energy: -43.306
tors. eta vs tors. theta energy: -77.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -924.136741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.136741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.136741 (E_RNA)
where:
Base-Base interactions energy: -633.476
where: short stacking energy: -273.851
Base-Backbone interact. energy: -0.795
local terms energy: -289.866480
where:
bonds (distance) C4'-P energy: -46.294
bonds (distance) P-C4' energy: -45.897
flat angles C4'-P-C4' energy: -65.889
flat angles P-C4'-P energy: -47.752
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: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -903.348905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.348905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.348905 (E_RNA)
where:
Base-Base interactions energy: -638.514
where: short stacking energy: -267.194
Base-Backbone interact. energy: -1.033
local terms energy: -263.802331
where:
bonds (distance) C4'-P energy: -46.041
bonds (distance) P-C4' energy: -49.446
flat angles C4'-P-C4' energy: -51.672
flat angles P-C4'-P energy: -37.702
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: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -840.184692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.184692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.184692 (E_RNA)
where:
Base-Base interactions energy: -579.624
where: short stacking energy: -246.926
Base-Backbone interact. energy: -0.329
local terms energy: -260.231916
where:
bonds (distance) C4'-P energy: -37.976
bonds (distance) P-C4' energy: -57.311
flat angles C4'-P-C4' energy: -56.107
flat angles P-C4'-P energy: -33.801
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: 6, replica: 1
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -786.752531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.752531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.752531 (E_RNA)
where:
Base-Base interactions energy: -542.656
where: short stacking energy: -226.795
Base-Backbone interact. energy: -1.328
local terms energy: -242.768552
where:
bonds (distance) C4'-P energy: -46.742
bonds (distance) P-C4' energy: -44.554
flat angles C4'-P-C4' energy: -50.511
flat angles P-C4'-P energy: -37.349
tors. eta vs tors. theta energy: -63.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -692.144866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.144866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.144866 (E_RNA)
where:
Base-Base interactions energy: -466.816
where: short stacking energy: -208.325
Base-Backbone interact. energy: 0.276
local terms energy: -225.604591
where:
bonds (distance) C4'-P energy: -40.920
bonds (distance) P-C4' energy: -37.276
flat angles C4'-P-C4' energy: -52.228
flat angles P-C4'-P energy: -37.962
tors. eta vs tors. theta energy: -57.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -716.256429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.256429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.256429 (E_RNA)
where:
Base-Base interactions energy: -503.370
where: short stacking energy: -200.958
Base-Backbone interact. energy: -1.075
local terms energy: -211.811430
where:
bonds (distance) C4'-P energy: -45.273
bonds (distance) P-C4' energy: -43.101
flat angles C4'-P-C4' energy: -51.427
flat angles P-C4'-P energy: -25.086
tors. eta vs tors. theta energy: -46.925
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: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -456.490110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.490110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.490110 (E_RNA)
where:
Base-Base interactions energy: -273.854
where: short stacking energy: -120.615
Base-Backbone interact. energy: 0.557
local terms energy: -183.193122
where:
bonds (distance) C4'-P energy: -39.338
bonds (distance) P-C4' energy: -45.337
flat angles C4'-P-C4' energy: -45.380
flat angles P-C4'-P energy: -34.474
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -219.674710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.674710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.674710 (E_RNA)
where:
Base-Base interactions energy: -66.869
where: short stacking energy: -62.176
Base-Backbone interact. energy: 0.575
local terms energy: -153.379987
where:
bonds (distance) C4'-P energy: -44.399
bonds (distance) P-C4' energy: -38.291
flat angles C4'-P-C4' energy: -42.438
flat angles P-C4'-P energy: -29.912
tors. eta vs tors. theta energy: 1.660
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: 9
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -970.473587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.473587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.473587 (E_RNA)
where:
Base-Base interactions energy: -677.323
where: short stacking energy: -292.543
Base-Backbone interact. energy: -1.151
local terms energy: -291.999397
where:
bonds (distance) C4'-P energy: -48.571
bonds (distance) P-C4' energy: -53.452
flat angles C4'-P-C4' energy: -62.501
flat angles P-C4'-P energy: -41.322
tors. eta vs tors. theta energy: -86.154
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: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -941.220466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.220466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.220466 (E_RNA)
where:
Base-Base interactions energy: -679.552
where: short stacking energy: -262.983
Base-Backbone interact. energy: -2.148
local terms energy: -259.521248
where:
bonds (distance) C4'-P energy: -46.305
bonds (distance) P-C4' energy: -49.353
flat angles C4'-P-C4' energy: -59.989
flat angles P-C4'-P energy: -33.679
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: 3, replica: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -911.401817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.401817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.401817 (E_RNA)
where:
Base-Base interactions energy: -638.600
where: short stacking energy: -274.326
Base-Backbone interact. energy: -0.081
local terms energy: -272.720719
where:
bonds (distance) C4'-P energy: -55.350
bonds (distance) P-C4' energy: -45.801
flat angles C4'-P-C4' energy: -52.400
flat angles P-C4'-P energy: -39.894
tors. eta vs tors. theta energy: -79.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -886.861778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.861778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.861778 (E_RNA)
where:
Base-Base interactions energy: -597.750
where: short stacking energy: -256.170
Base-Backbone interact. energy: -0.408
local terms energy: -288.704533
where:
bonds (distance) C4'-P energy: -52.584
bonds (distance) P-C4' energy: -50.237
flat angles C4'-P-C4' energy: -69.040
flat angles P-C4'-P energy: -39.176
tors. eta vs tors. theta energy: -77.667
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: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -830.596894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.596894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.596894 (E_RNA)
where:
Base-Base interactions energy: -557.704
where: short stacking energy: -235.194
Base-Backbone interact. energy: -0.588
local terms energy: -272.305154
where:
bonds (distance) C4'-P energy: -49.591
bonds (distance) P-C4' energy: -48.291
flat angles C4'-P-C4' energy: -61.078
flat angles P-C4'-P energy: -42.065
tors. eta vs tors. theta energy: -71.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -794.912271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.912271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.912271 (E_RNA)
where:
Base-Base interactions energy: -549.371
where: short stacking energy: -218.504
Base-Backbone interact. energy: -0.257
local terms energy: -245.284279
where:
bonds (distance) C4'-P energy: -44.134
bonds (distance) P-C4' energy: -54.688
flat angles C4'-P-C4' energy: -53.204
flat angles P-C4'-P energy: -34.524
tors. eta vs tors. theta energy: -58.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -690.236882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.236882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.236882 (E_RNA)
where:
Base-Base interactions energy: -461.102
where: short stacking energy: -205.238
Base-Backbone interact. energy: 2.217
local terms energy: -231.352254
where:
bonds (distance) C4'-P energy: -40.970
bonds (distance) P-C4' energy: -47.865
flat angles C4'-P-C4' energy: -45.882
flat angles P-C4'-P energy: -33.785
tors. eta vs tors. theta energy: -62.851
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: 7
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -677.880863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.880863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.880863 (E_RNA)
where:
Base-Base interactions energy: -455.855
where: short stacking energy: -200.540
Base-Backbone interact. energy: 0.297
local terms energy: -222.322771
where:
bonds (distance) C4'-P energy: -51.019
bonds (distance) P-C4' energy: -43.306
flat angles C4'-P-C4' energy: -56.138
flat angles P-C4'-P energy: -24.516
tors. eta vs tors. theta energy: -47.344
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: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -483.528086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.528086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.528086 (E_RNA)
where:
Base-Base interactions energy: -293.583
where: short stacking energy: -118.067
Base-Backbone interact. energy: -0.889
local terms energy: -189.056206
where:
bonds (distance) C4'-P energy: -44.917
bonds (distance) P-C4' energy: -54.447
flat angles C4'-P-C4' energy: -38.259
flat angles P-C4'-P energy: -32.724
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -224.725535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.725535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.725535 (E_RNA)
where:
Base-Base interactions energy: -111.211
where: short stacking energy: -59.693
Base-Backbone interact. energy: -0.038
local terms energy: -113.477096
where:
bonds (distance) C4'-P energy: -40.850
bonds (distance) P-C4' energy: -41.121
flat angles C4'-P-C4' energy: -33.093
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: 14.021
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: 9
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -953.899220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.899220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.899220 (E_RNA)
where:
Base-Base interactions energy: -654.942
where: short stacking energy: -286.696
Base-Backbone interact. energy: -0.733
local terms energy: -298.224104
where:
bonds (distance) C4'-P energy: -55.925
bonds (distance) P-C4' energy: -51.812
flat angles C4'-P-C4' energy: -62.950
flat angles P-C4'-P energy: -39.430
tors. eta vs tors. theta energy: -88.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -942.341692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.341692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.341692 (E_RNA)
where:
Base-Base interactions energy: -657.674
where: short stacking energy: -279.855
Base-Backbone interact. energy: -1.371
local terms energy: -283.296040
where:
bonds (distance) C4'-P energy: -48.927
bonds (distance) P-C4' energy: -45.556
flat angles C4'-P-C4' energy: -58.615
flat angles P-C4'-P energy: -47.911
tors. eta vs tors. theta energy: -82.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -911.460449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.460449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.460449 (E_RNA)
where:
Base-Base interactions energy: -654.416
where: short stacking energy: -265.506
Base-Backbone interact. energy: 0.550
local terms energy: -257.594932
where:
bonds (distance) C4'-P energy: -44.425
bonds (distance) P-C4' energy: -48.271
flat angles C4'-P-C4' energy: -50.505
flat angles P-C4'-P energy: -34.268
tors. eta vs tors. theta energy: -80.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -865.529991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.529991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.529991 (E_RNA)
where:
Base-Base interactions energy: -592.973
where: short stacking energy: -251.283
Base-Backbone interact. energy: -1.829
local terms energy: -270.728718
where:
bonds (distance) C4'-P energy: -44.549
bonds (distance) P-C4' energy: -43.424
flat angles C4'-P-C4' energy: -58.026
flat angles P-C4'-P energy: -45.278
tors. eta vs tors. theta energy: -79.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -872.439027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.439027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.439027 (E_RNA)
where:
Base-Base interactions energy: -611.626
where: short stacking energy: -251.674
Base-Backbone interact. energy: -2.323
local terms energy: -258.490009
where:
bonds (distance) C4'-P energy: -48.810
bonds (distance) P-C4' energy: -44.115
flat angles C4'-P-C4' energy: -53.157
flat angles P-C4'-P energy: -38.035
tors. eta vs tors. theta energy: -74.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -786.248593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.248593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.248593 (E_RNA)
where:
Base-Base interactions energy: -529.713
where: short stacking energy: -230.147
Base-Backbone interact. energy: -0.643
local terms energy: -255.892588
where:
bonds (distance) C4'-P energy: -54.176
bonds (distance) P-C4' energy: -45.363
flat angles C4'-P-C4' energy: -53.354
flat angles P-C4'-P energy: -36.416
tors. eta vs tors. theta energy: -66.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -696.019974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.019974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.019974 (E_RNA)
where:
Base-Base interactions energy: -464.409
where: short stacking energy: -193.015
Base-Backbone interact. energy: -1.483
local terms energy: -230.128354
where:
bonds (distance) C4'-P energy: -40.892
bonds (distance) P-C4' energy: -48.908
flat angles C4'-P-C4' energy: -49.951
flat angles P-C4'-P energy: -36.090
tors. eta vs tors. theta energy: -54.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -660.783744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.783744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.783744 (E_RNA)
where:
Base-Base interactions energy: -438.890
where: short stacking energy: -189.015
Base-Backbone interact. energy: 1.671
local terms energy: -223.565264
where:
bonds (distance) C4'-P energy: -43.571
bonds (distance) P-C4' energy: -44.701
flat angles C4'-P-C4' energy: -48.905
flat angles P-C4'-P energy: -34.533
tors. eta vs tors. theta energy: -51.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -539.651785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.651785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.651785 (E_RNA)
where:
Base-Base interactions energy: -339.511
where: short stacking energy: -157.982
Base-Backbone interact. energy: 0.513
local terms energy: -200.654014
where:
bonds (distance) C4'-P energy: -46.963
bonds (distance) P-C4' energy: -41.111
flat angles C4'-P-C4' energy: -46.415
flat angles P-C4'-P energy: -31.466
tors. eta vs tors. theta energy: -34.699
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: 8
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -239.879064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.879064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.879064 (E_RNA)
where:
Base-Base interactions energy: -106.984
where: short stacking energy: -62.430
Base-Backbone interact. energy: -0.819
local terms energy: -132.075749
where:
bonds (distance) C4'-P energy: -35.130
bonds (distance) P-C4' energy: -48.647
flat angles C4'-P-C4' energy: -39.068
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: 7.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -970.339253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.339253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.339253 (E_RNA)
where:
Base-Base interactions energy: -667.428
where: short stacking energy: -275.139
Base-Backbone interact. energy: -1.228
local terms energy: -301.683463
where:
bonds (distance) C4'-P energy: -53.604
bonds (distance) P-C4' energy: -60.769
flat angles C4'-P-C4' energy: -63.871
flat angles P-C4'-P energy: -37.760
tors. eta vs tors. theta energy: -85.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -954.324104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.324104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.324104 (E_RNA)
where:
Base-Base interactions energy: -648.994
where: short stacking energy: -284.151
Base-Backbone interact. energy: -1.328
local terms energy: -304.002374
where:
bonds (distance) C4'-P energy: -54.074
bonds (distance) P-C4' energy: -58.536
flat angles C4'-P-C4' energy: -62.633
flat angles P-C4'-P energy: -41.065
tors. eta vs tors. theta energy: -87.694
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: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -921.442656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.442656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.442656 (E_RNA)
where:
Base-Base interactions energy: -657.465
where: short stacking energy: -279.281
Base-Backbone interact. energy: 0.538
local terms energy: -264.515000
where:
bonds (distance) C4'-P energy: -52.751
bonds (distance) P-C4' energy: -41.761
flat angles C4'-P-C4' energy: -57.541
flat angles P-C4'-P energy: -35.325
tors. eta vs tors. theta energy: -77.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -871.801553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.801553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.801553 (E_RNA)
where:
Base-Base interactions energy: -596.692
where: short stacking energy: -258.075
Base-Backbone interact. energy: 0.981
local terms energy: -276.090031
where:
bonds (distance) C4'-P energy: -45.489
bonds (distance) P-C4' energy: -48.989
flat angles C4'-P-C4' energy: -55.797
flat angles P-C4'-P energy: -46.264
tors. eta vs tors. theta energy: -79.551
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: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -837.358486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.358486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.358486 (E_RNA)
where:
Base-Base interactions energy: -589.773
where: short stacking energy: -244.943
Base-Backbone interact. energy: -1.993
local terms energy: -245.591913
where:
bonds (distance) C4'-P energy: -49.268
bonds (distance) P-C4' energy: -37.295
flat angles C4'-P-C4' energy: -48.612
flat angles P-C4'-P energy: -36.967
tors. eta vs tors. theta energy: -73.450
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: 1
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -765.569311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.569311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.569311 (E_RNA)
where:
Base-Base interactions energy: -527.023
where: short stacking energy: -226.000
Base-Backbone interact. energy: -0.572
local terms energy: -237.975120
where:
bonds (distance) C4'-P energy: -51.221
bonds (distance) P-C4' energy: -42.436
flat angles C4'-P-C4' energy: -54.882
flat angles P-C4'-P energy: -30.235
tors. eta vs tors. theta energy: -59.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -682.861085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.861085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.861085 (E_RNA)
where:
Base-Base interactions energy: -468.272
where: short stacking energy: -202.945
Base-Backbone interact. energy: 2.394
local terms energy: -216.983721
where:
bonds (distance) C4'-P energy: -31.389
bonds (distance) P-C4' energy: -38.230
flat angles C4'-P-C4' energy: -49.560
flat angles P-C4'-P energy: -39.993
tors. eta vs tors. theta energy: -57.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -637.379341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.379341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.379341 (E_RNA)
where:
Base-Base interactions energy: -431.847
where: short stacking energy: -184.398
Base-Backbone interact. energy: -0.489
local terms energy: -205.043520
where:
bonds (distance) C4'-P energy: -35.694
bonds (distance) P-C4' energy: -46.860
flat angles C4'-P-C4' energy: -42.321
flat angles P-C4'-P energy: -29.791
tors. eta vs tors. theta energy: -50.378
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: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -542.328350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.328350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.328350 (E_RNA)
where:
Base-Base interactions energy: -344.250
where: short stacking energy: -164.487
Base-Backbone interact. energy: 3.182
local terms energy: -201.260036
where:
bonds (distance) C4'-P energy: -38.569
bonds (distance) P-C4' energy: -46.570
flat angles C4'-P-C4' energy: -37.993
flat angles P-C4'-P energy: -32.449
tors. eta vs tors. theta energy: -45.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -222.401942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.401942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.401942 (E_RNA)
where:
Base-Base interactions energy: -83.875
where: short stacking energy: -70.633
Base-Backbone interact. energy: -2.564
local terms energy: -135.963224
where:
bonds (distance) C4'-P energy: -46.352
bonds (distance) P-C4' energy: -46.245
flat angles C4'-P-C4' energy: -37.685
flat angles P-C4'-P energy: -17.681
tors. eta vs tors. theta energy: 12.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -952.059106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.059106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.059106 (E_RNA)
where:
Base-Base interactions energy: -659.657
where: short stacking energy: -274.825
Base-Backbone interact. energy: -0.891
local terms energy: -291.511071
where:
bonds (distance) C4'-P energy: -49.686
bonds (distance) P-C4' energy: -53.267
flat angles C4'-P-C4' energy: -59.156
flat angles P-C4'-P energy: -43.863
tors. eta vs tors. theta energy: -85.540
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: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -966.901776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.901776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.901776 (E_RNA)
where:
Base-Base interactions energy: -675.333
where: short stacking energy: -297.738
Base-Backbone interact. energy: 0.423
local terms energy: -291.992537
where:
bonds (distance) C4'-P energy: -50.707
bonds (distance) P-C4' energy: -53.537
flat angles C4'-P-C4' energy: -56.435
flat angles P-C4'-P energy: -42.254
tors. eta vs tors. theta energy: -89.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -911.425510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.425510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.425510 (E_RNA)
where:
Base-Base interactions energy: -636.758
where: short stacking energy: -258.549
Base-Backbone interact. energy: -1.442
local terms energy: -273.224877
where:
bonds (distance) C4'-P energy: -58.333
bonds (distance) P-C4' energy: -39.083
flat angles C4'-P-C4' energy: -58.059
flat angles P-C4'-P energy: -40.999
tors. eta vs tors. theta energy: -76.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -890.818125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.818125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.818125 (E_RNA)
where:
Base-Base interactions energy: -608.775
where: short stacking energy: -243.046
Base-Backbone interact. energy: -1.558
local terms energy: -280.484862
where:
bonds (distance) C4'-P energy: -53.167
bonds (distance) P-C4' energy: -55.847
flat angles C4'-P-C4' energy: -55.357
flat angles P-C4'-P energy: -40.927
tors. eta vs tors. theta energy: -75.188
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: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -849.168647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.168647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.168647 (E_RNA)
where:
Base-Base interactions energy: -595.490
where: short stacking energy: -244.728
Base-Backbone interact. energy: 0.717
local terms energy: -254.395855
where:
bonds (distance) C4'-P energy: -37.943
bonds (distance) P-C4' energy: -52.401
flat angles C4'-P-C4' energy: -54.753
flat angles P-C4'-P energy: -42.062
tors. eta vs tors. theta energy: -67.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -798.514874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.514874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.514874 (E_RNA)
where:
Base-Base interactions energy: -538.457
where: short stacking energy: -225.628
Base-Backbone interact. energy: -0.647
local terms energy: -259.411111
where:
bonds (distance) C4'-P energy: -44.978
bonds (distance) P-C4' energy: -41.964
flat angles C4'-P-C4' energy: -60.243
flat angles P-C4'-P energy: -42.069
tors. eta vs tors. theta energy: -70.158
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: 6
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -688.707889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.707889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.707889 (E_RNA)
where:
Base-Base interactions energy: -465.887
where: short stacking energy: -197.593
Base-Backbone interact. energy: -3.236
local terms energy: -219.585011
where:
bonds (distance) C4'-P energy: -46.115
bonds (distance) P-C4' energy: -50.062
flat angles C4'-P-C4' energy: -38.040
flat angles P-C4'-P energy: -32.983
tors. eta vs tors. theta energy: -52.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -542.896989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.896989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.896989 (E_RNA)
where:
Base-Base interactions energy: -328.134
where: short stacking energy: -160.243
Base-Backbone interact. energy: 0.379
local terms energy: -215.142029
where:
bonds (distance) C4'-P energy: -46.652
bonds (distance) P-C4' energy: -47.674
flat angles C4'-P-C4' energy: -42.748
flat angles P-C4'-P energy: -32.966
tors. eta vs tors. theta energy: -45.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -631.066507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.066507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.066507 (E_RNA)
where:
Base-Base interactions energy: -441.461
where: short stacking energy: -189.950
Base-Backbone interact. energy: 0.515
local terms energy: -190.120596
where:
bonds (distance) C4'-P energy: -38.912
bonds (distance) P-C4' energy: -35.540
flat angles C4'-P-C4' energy: -52.412
flat angles P-C4'-P energy: -25.048
tors. eta vs tors. theta energy: -38.208
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: 10, replica: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -224.748988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.748988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.748988 (E_RNA)
where:
Base-Base interactions energy: -97.061
where: short stacking energy: -75.780
Base-Backbone interact. energy: 3.846
local terms energy: -131.533660
where:
bonds (distance) C4'-P energy: -41.577
bonds (distance) P-C4' energy: -41.396
flat angles C4'-P-C4' energy: -38.405
flat angles P-C4'-P energy: -20.294
tors. eta vs tors. theta energy: 10.138
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: 1, replica: 9
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -976.135175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.135175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.135175 (E_RNA)
where:
Base-Base interactions energy: -680.446
where: short stacking energy: -290.636
Base-Backbone interact. energy: -0.935
local terms energy: -294.753751
where:
bonds (distance) C4'-P energy: -54.816
bonds (distance) P-C4' energy: -53.997
flat angles C4'-P-C4' energy: -56.344
flat angles P-C4'-P energy: -45.724
tors. eta vs tors. theta energy: -83.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -941.786729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.786729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.786729 (E_RNA)
where:
Base-Base interactions energy: -646.781
where: short stacking energy: -284.523
Base-Backbone interact. energy: -1.020
local terms energy: -293.986484
where:
bonds (distance) C4'-P energy: -59.057
bonds (distance) P-C4' energy: -47.057
flat angles C4'-P-C4' energy: -61.148
flat angles P-C4'-P energy: -42.251
tors. eta vs tors. theta energy: -84.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -887.461528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.461528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.461528 (E_RNA)
where:
Base-Base interactions energy: -607.726
where: short stacking energy: -257.437
Base-Backbone interact. energy: -0.206
local terms energy: -279.529350
where:
bonds (distance) C4'-P energy: -42.588
bonds (distance) P-C4' energy: -62.362
flat angles C4'-P-C4' energy: -56.902
flat angles P-C4'-P energy: -41.686
tors. eta vs tors. theta energy: -75.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -901.873826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.873826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.873826 (E_RNA)
where:
Base-Base interactions energy: -626.691
where: short stacking energy: -260.015
Base-Backbone interact. energy: -2.897
local terms energy: -272.285842
where:
bonds (distance) C4'-P energy: -38.264
bonds (distance) P-C4' energy: -51.418
flat angles C4'-P-C4' energy: -59.976
flat angles P-C4'-P energy: -44.010
tors. eta vs tors. theta energy: -78.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -860.547489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.547489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.547489 (E_RNA)
where:
Base-Base interactions energy: -598.674
where: short stacking energy: -249.386
Base-Backbone interact. energy: -1.391
local terms energy: -260.482808
where:
bonds (distance) C4'-P energy: -45.104
bonds (distance) P-C4' energy: -51.841
flat angles C4'-P-C4' energy: -53.281
flat angles P-C4'-P energy: -37.714
tors. eta vs tors. theta energy: -72.542
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: 1
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -788.868028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.868028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.868028 (E_RNA)
where:
Base-Base interactions energy: -554.500
where: short stacking energy: -231.803
Base-Backbone interact. energy: -1.358
local terms energy: -233.010361
where:
bonds (distance) C4'-P energy: -35.243
bonds (distance) P-C4' energy: -47.341
flat angles C4'-P-C4' energy: -57.550
flat angles P-C4'-P energy: -32.717
tors. eta vs tors. theta energy: -60.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -647.593265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.593265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.593265 (E_RNA)
where:
Base-Base interactions energy: -432.574
where: short stacking energy: -165.281
Base-Backbone interact. energy: -0.526
local terms energy: -214.493355
where:
bonds (distance) C4'-P energy: -45.296
bonds (distance) P-C4' energy: -44.629
flat angles C4'-P-C4' energy: -49.483
flat angles P-C4'-P energy: -33.445
tors. eta vs tors. theta energy: -41.640
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: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -563.973918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.973918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.973918 (E_RNA)
where:
Base-Base interactions energy: -368.466
where: short stacking energy: -169.181
Base-Backbone interact. energy: 0.920
local terms energy: -196.428087
where:
bonds (distance) C4'-P energy: -51.921
bonds (distance) P-C4' energy: -41.962
flat angles C4'-P-C4' energy: -40.030
flat angles P-C4'-P energy: -26.060
tors. eta vs tors. theta energy: -36.456
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: 348
Temperature: 1.300000
Total energy: -576.554362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.554362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.554362 (E_RNA)
where:
Base-Base interactions energy: -392.827
where: short stacking energy: -171.407
Base-Backbone interact. energy: -1.048
local terms energy: -182.679001
where:
bonds (distance) C4'-P energy: -32.264
bonds (distance) P-C4' energy: -44.924
flat angles C4'-P-C4' energy: -45.608
flat angles P-C4'-P energy: -20.863
tors. eta vs tors. theta energy: -39.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -229.511325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.511325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.511325 (E_RNA)
where:
Base-Base interactions energy: -90.529
where: short stacking energy: -74.188
Base-Backbone interact. energy: 3.338
local terms energy: -142.320461
where:
bonds (distance) C4'-P energy: -36.692
bonds (distance) P-C4' energy: -52.522
flat angles C4'-P-C4' energy: -33.742
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -4.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -965.752875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.752875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.752875 (E_RNA)
where:
Base-Base interactions energy: -682.479
where: short stacking energy: -292.947
Base-Backbone interact. energy: -1.378
local terms energy: -281.895642
where:
bonds (distance) C4'-P energy: -54.631
bonds (distance) P-C4' energy: -44.265
flat angles C4'-P-C4' energy: -58.805
flat angles P-C4'-P energy: -40.728
tors. eta vs tors. theta energy: -83.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -944.572381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.572381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.572381 (E_RNA)
where:
Base-Base interactions energy: -663.327
where: short stacking energy: -275.330
Base-Backbone interact. energy: -1.438
local terms energy: -279.807286
where:
bonds (distance) C4'-P energy: -54.010
bonds (distance) P-C4' energy: -47.893
flat angles C4'-P-C4' energy: -52.188
flat angles P-C4'-P energy: -45.744
tors. eta vs tors. theta energy: -79.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -902.048077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.048077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.048077 (E_RNA)
where:
Base-Base interactions energy: -627.419
where: short stacking energy: -259.773
Base-Backbone interact. energy: -0.174
local terms energy: -274.454815
where:
bonds (distance) C4'-P energy: -45.718
bonds (distance) P-C4' energy: -51.957
flat angles C4'-P-C4' energy: -51.015
flat angles P-C4'-P energy: -46.666
tors. eta vs tors. theta energy: -79.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -890.863348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.863348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.863348 (E_RNA)
where:
Base-Base interactions energy: -613.906
where: short stacking energy: -274.787
Base-Backbone interact. energy: -0.626
local terms energy: -276.330655
where:
bonds (distance) C4'-P energy: -49.219
bonds (distance) P-C4' energy: -53.047
flat angles C4'-P-C4' energy: -57.378
flat angles P-C4'-P energy: -38.545
tors. eta vs tors. theta energy: -78.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -884.052419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.052419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.052419 (E_RNA)
where:
Base-Base interactions energy: -615.608
where: short stacking energy: -254.538
Base-Backbone interact. energy: -0.780
local terms energy: -267.664218
where:
bonds (distance) C4'-P energy: -43.529
bonds (distance) P-C4' energy: -58.655
flat angles C4'-P-C4' energy: -57.945
flat angles P-C4'-P energy: -36.811
tors. eta vs tors. theta energy: -70.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -828.852937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.852937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.852937 (E_RNA)
where:
Base-Base interactions energy: -588.787
where: short stacking energy: -253.065
Base-Backbone interact. energy: -1.110
local terms energy: -238.955952
where:
bonds (distance) C4'-P energy: -29.582
bonds (distance) P-C4' energy: -48.545
flat angles C4'-P-C4' energy: -52.044
flat angles P-C4'-P energy: -42.660
tors. eta vs tors. theta energy: -66.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -681.303706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.303706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.303706 (E_RNA)
where:
Base-Base interactions energy: -432.591
where: short stacking energy: -193.353
Base-Backbone interact. energy: 1.333
local terms energy: -250.045284
where:
bonds (distance) C4'-P energy: -55.481
bonds (distance) P-C4' energy: -45.720
flat angles C4'-P-C4' energy: -59.197
flat angles P-C4'-P energy: -31.035
tors. eta vs tors. theta energy: -58.612
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: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -571.423512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.423512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.423512 (E_RNA)
where:
Base-Base interactions energy: -348.659
where: short stacking energy: -171.540
Base-Backbone interact. energy: -1.687
local terms energy: -221.077341
where:
bonds (distance) C4'-P energy: -36.650
bonds (distance) P-C4' energy: -47.043
flat angles C4'-P-C4' energy: -48.560
flat angles P-C4'-P energy: -39.996
tors. eta vs tors. theta energy: -48.829
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: 9, replica: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -581.486186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.486186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.486186 (E_RNA)
where:
Base-Base interactions energy: -382.524
where: short stacking energy: -151.971
Base-Backbone interact. energy: 1.838
local terms energy: -200.799952
where:
bonds (distance) C4'-P energy: -42.410
bonds (distance) P-C4' energy: -49.694
flat angles C4'-P-C4' energy: -41.618
flat angles P-C4'-P energy: -24.893
tors. eta vs tors. theta energy: -42.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -217.187316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.187316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.187316 (E_RNA)
where:
Base-Base interactions energy: -69.133
where: short stacking energy: -64.078
Base-Backbone interact. energy: -1.223
local terms energy: -146.831209
where:
bonds (distance) C4'-P energy: -41.105
bonds (distance) P-C4' energy: -46.629
flat angles C4'-P-C4' energy: -36.873
flat angles P-C4'-P energy: -26.038
tors. eta vs tors. theta energy: 3.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -987.763255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.763255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.763255 (E_RNA)
where:
Base-Base interactions energy: -683.909
where: short stacking energy: -290.902
Base-Backbone interact. energy: -0.697
local terms energy: -303.157013
where:
bonds (distance) C4'-P energy: -58.025
bonds (distance) P-C4' energy: -58.741
flat angles C4'-P-C4' energy: -58.052
flat angles P-C4'-P energy: -40.265
tors. eta vs tors. theta energy: -88.075
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: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -924.323290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.323290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.323290 (E_RNA)
where:
Base-Base interactions energy: -647.635
where: short stacking energy: -275.605
Base-Backbone interact. energy: -1.290
local terms energy: -275.398819
where:
bonds (distance) C4'-P energy: -45.503
bonds (distance) P-C4' energy: -46.863
flat angles C4'-P-C4' energy: -62.596
flat angles P-C4'-P energy: -38.885
tors. eta vs tors. theta energy: -81.552
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: 350
Temperature: 1.000000
Total energy: -903.970208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.970208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.970208 (E_RNA)
where:
Base-Base interactions energy: -620.792
where: short stacking energy: -265.889
Base-Backbone interact. energy: -0.537
local terms energy: -282.640657
where:
bonds (distance) C4'-P energy: -52.326
bonds (distance) P-C4' energy: -56.832
flat angles C4'-P-C4' energy: -57.290
flat angles P-C4'-P energy: -40.526
tors. eta vs tors. theta energy: -75.667
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: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -883.010421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.010421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.010421 (E_RNA)
where:
Base-Base interactions energy: -622.469
where: short stacking energy: -266.431
Base-Backbone interact. energy: -1.392
local terms energy: -259.149648
where:
bonds (distance) C4'-P energy: -34.669
bonds (distance) P-C4' energy: -51.196
flat angles C4'-P-C4' energy: -57.753
flat angles P-C4'-P energy: -43.806
tors. eta vs tors. theta energy: -71.727
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: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -849.020102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.020102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.020102 (E_RNA)
where:
Base-Base interactions energy: -578.927
where: short stacking energy: -243.567
Base-Backbone interact. energy: -1.674
local terms energy: -268.418949
where:
bonds (distance) C4'-P energy: -47.761
bonds (distance) P-C4' energy: -48.590
flat angles C4'-P-C4' energy: -53.484
flat angles P-C4'-P energy: -39.199
tors. eta vs tors. theta energy: -79.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -798.831416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.831416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.831416 (E_RNA)
where:
Base-Base interactions energy: -547.175
where: short stacking energy: -232.731
Base-Backbone interact. energy: 0.663
local terms energy: -252.319064
where:
bonds (distance) C4'-P energy: -46.224
bonds (distance) P-C4' energy: -41.881
flat angles C4'-P-C4' energy: -56.332
flat angles P-C4'-P energy: -42.049
tors. eta vs tors. theta energy: -65.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -685.630438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.630438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.630438 (E_RNA)
where:
Base-Base interactions energy: -438.738
where: short stacking energy: -199.993
Base-Backbone interact. energy: -0.996
local terms energy: -245.896586
where:
bonds (distance) C4'-P energy: -51.371
bonds (distance) P-C4' energy: -45.972
flat angles C4'-P-C4' energy: -51.321
flat angles P-C4'-P energy: -35.870
tors. eta vs tors. theta energy: -61.364
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: 10
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -607.797398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.797398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.797398 (E_RNA)
where:
Base-Base interactions energy: -386.163
where: short stacking energy: -178.536
Base-Backbone interact. energy: -1.465
local terms energy: -220.169682
where:
bonds (distance) C4'-P energy: -44.750
bonds (distance) P-C4' energy: -45.065
flat angles C4'-P-C4' energy: -49.964
flat angles P-C4'-P energy: -36.874
tors. eta vs tors. theta energy: -43.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -616.375083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.375083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.375083 (E_RNA)
where:
Base-Base interactions energy: -401.246
where: short stacking energy: -180.340
Base-Backbone interact. energy: 1.348
local terms energy: -216.477717
where:
bonds (distance) C4'-P energy: -44.546
bonds (distance) P-C4' energy: -46.598
flat angles C4'-P-C4' energy: -52.048
flat angles P-C4'-P energy: -25.876
tors. eta vs tors. theta energy: -47.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -224.424174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.424174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.424174 (E_RNA)
where:
Base-Base interactions energy: -78.296
where: short stacking energy: -56.964
Base-Backbone interact. energy: 7.873
local terms energy: -154.001977
where:
bonds (distance) C4'-P energy: -56.114
bonds (distance) P-C4' energy: -48.923
flat angles C4'-P-C4' energy: -43.685
flat angles P-C4'-P energy: -17.589
tors. eta vs tors. theta energy: 12.310
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: 1, replica: 9
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -967.936788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.936788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.936788 (E_RNA)
where:
Base-Base interactions energy: -682.113
where: short stacking energy: -289.175
Base-Backbone interact. energy: -1.861
local terms energy: -283.963717
where:
bonds (distance) C4'-P energy: -48.090
bonds (distance) P-C4' energy: -57.074
flat angles C4'-P-C4' energy: -54.133
flat angles P-C4'-P energy: -42.422
tors. eta vs tors. theta energy: -82.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -939.936111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.936111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.936111 (E_RNA)
where:
Base-Base interactions energy: -650.916
where: short stacking energy: -280.360
Base-Backbone interact. energy: 4.931
local terms energy: -293.950429
where:
bonds (distance) C4'-P energy: -49.631
bonds (distance) P-C4' energy: -60.508
flat angles C4'-P-C4' energy: -56.825
flat angles P-C4'-P energy: -41.853
tors. eta vs tors. theta energy: -85.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -913.274185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.274185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.274185 (E_RNA)
where:
Base-Base interactions energy: -636.399
where: short stacking energy: -274.147
Base-Backbone interact. energy: -1.495
local terms energy: -275.380919
where:
bonds (distance) C4'-P energy: -47.103
bonds (distance) P-C4' energy: -55.078
flat angles C4'-P-C4' energy: -54.394
flat angles P-C4'-P energy: -40.849
tors. eta vs tors. theta energy: -77.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -902.662341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.662341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.662341 (E_RNA)
where:
Base-Base interactions energy: -629.889
where: short stacking energy: -268.359
Base-Backbone interact. energy: -1.989
local terms energy: -270.784703
where:
bonds (distance) C4'-P energy: -58.071
bonds (distance) P-C4' energy: -53.932
flat angles C4'-P-C4' energy: -46.216
flat angles P-C4'-P energy: -33.833
tors. eta vs tors. theta energy: -78.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -860.475157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.475157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.475157 (E_RNA)
where:
Base-Base interactions energy: -620.224
where: short stacking energy: -239.189
Base-Backbone interact. energy: 0.248
local terms energy: -240.499539
where:
bonds (distance) C4'-P energy: -41.882
bonds (distance) P-C4' energy: -43.695
flat angles C4'-P-C4' energy: -59.498
flat angles P-C4'-P energy: -33.499
tors. eta vs tors. theta energy: -61.926
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: 1
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -806.991091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.991091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.991091 (E_RNA)
where:
Base-Base interactions energy: -561.319
where: short stacking energy: -241.071
Base-Backbone interact. energy: 1.109
local terms energy: -246.780819
where:
bonds (distance) C4'-P energy: -39.205
bonds (distance) P-C4' energy: -42.362
flat angles C4'-P-C4' energy: -59.821
flat angles P-C4'-P energy: -39.991
tors. eta vs tors. theta energy: -65.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -672.428612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.428612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.428612 (E_RNA)
where:
Base-Base interactions energy: -459.751
where: short stacking energy: -201.669
Base-Backbone interact. energy: 0.182
local terms energy: -212.859219
where:
bonds (distance) C4'-P energy: -42.641
bonds (distance) P-C4' energy: -46.242
flat angles C4'-P-C4' energy: -40.491
flat angles P-C4'-P energy: -29.204
tors. eta vs tors. theta energy: -54.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -619.726477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.726477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.726477 (E_RNA)
where:
Base-Base interactions energy: -419.194
where: short stacking energy: -180.511
Base-Backbone interact. energy: -0.259
local terms energy: -200.273281
where:
bonds (distance) C4'-P energy: -40.048
bonds (distance) P-C4' energy: -41.716
flat angles C4'-P-C4' energy: -44.780
flat angles P-C4'-P energy: -29.812
tors. eta vs tors. theta energy: -43.917
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: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -599.578908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.578908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.578908 (E_RNA)
where:
Base-Base interactions energy: -392.777
where: short stacking energy: -169.327
Base-Backbone interact. energy: -0.679
local terms energy: -206.122951
where:
bonds (distance) C4'-P energy: -47.162
bonds (distance) P-C4' energy: -42.934
flat angles C4'-P-C4' energy: -45.521
flat angles P-C4'-P energy: -29.451
tors. eta vs tors. theta energy: -41.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -270.949838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.949838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.949838 (E_RNA)
where:
Base-Base interactions energy: -114.101
where: short stacking energy: -76.315
Base-Backbone interact. energy: 2.750
local terms energy: -159.598876
where:
bonds (distance) C4'-P energy: -46.489
bonds (distance) P-C4' energy: -42.856
flat angles C4'-P-C4' energy: -38.935
flat angles P-C4'-P energy: -28.493
tors. eta vs tors. theta energy: -2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -981.714703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.714703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.714703 (E_RNA)
where:
Base-Base interactions energy: -682.816
where: short stacking energy: -293.863
Base-Backbone interact. energy: -0.885
local terms energy: -298.013503
where:
bonds (distance) C4'-P energy: -51.246
bonds (distance) P-C4' energy: -51.486
flat angles C4'-P-C4' energy: -62.705
flat angles P-C4'-P energy: -41.594
tors. eta vs tors. theta energy: -90.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -965.412499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.412499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.412499 (E_RNA)
where:
Base-Base interactions energy: -680.632
where: short stacking energy: -293.235
Base-Backbone interact. energy: -2.174
local terms energy: -282.607416
where:
bonds (distance) C4'-P energy: -46.878
bonds (distance) P-C4' energy: -52.858
flat angles C4'-P-C4' energy: -55.087
flat angles P-C4'-P energy: -39.073
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: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -895.364852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.364852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.364852 (E_RNA)
where:
Base-Base interactions energy: -631.364
where: short stacking energy: -269.158
Base-Backbone interact. energy: -1.783
local terms energy: -262.217133
where:
bonds (distance) C4'-P energy: -38.547
bonds (distance) P-C4' energy: -43.391
flat angles C4'-P-C4' energy: -57.220
flat angles P-C4'-P energy: -42.338
tors. eta vs tors. theta energy: -80.722
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: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -907.819453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.819453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.819453 (E_RNA)
where:
Base-Base interactions energy: -628.191
where: short stacking energy: -268.166
Base-Backbone interact. energy: -1.306
local terms energy: -278.321933
where:
bonds (distance) C4'-P energy: -50.705
bonds (distance) P-C4' energy: -51.622
flat angles C4'-P-C4' energy: -55.835
flat angles P-C4'-P energy: -39.607
tors. eta vs tors. theta energy: -80.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -866.473086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.473086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.473086 (E_RNA)
where:
Base-Base interactions energy: -602.124
where: short stacking energy: -250.354
Base-Backbone interact. energy: -1.208
local terms energy: -263.141177
where:
bonds (distance) C4'-P energy: -45.072
bonds (distance) P-C4' energy: -43.297
flat angles C4'-P-C4' energy: -60.082
flat angles P-C4'-P energy: -37.792
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: 6, replica: 1
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -792.764905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.764905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.764905 (E_RNA)
where:
Base-Base interactions energy: -549.097
where: short stacking energy: -225.262
Base-Backbone interact. energy: -0.510
local terms energy: -243.157876
where:
bonds (distance) C4'-P energy: -50.601
bonds (distance) P-C4' energy: -46.162
flat angles C4'-P-C4' energy: -49.029
flat angles P-C4'-P energy: -39.025
tors. eta vs tors. theta energy: -58.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -635.171057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.171057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.171057 (E_RNA)
where:
Base-Base interactions energy: -425.485
where: short stacking energy: -172.079
Base-Backbone interact. energy: -1.136
local terms energy: -208.549689
where:
bonds (distance) C4'-P energy: -54.861
bonds (distance) P-C4' energy: -44.791
flat angles C4'-P-C4' energy: -43.058
flat angles P-C4'-P energy: -28.035
tors. eta vs tors. theta energy: -37.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -687.058824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.058824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.058824 (E_RNA)
where:
Base-Base interactions energy: -448.225
where: short stacking energy: -193.953
Base-Backbone interact. energy: -1.569
local terms energy: -237.264279
where:
bonds (distance) C4'-P energy: -41.328
bonds (distance) P-C4' energy: -57.377
flat angles C4'-P-C4' energy: -54.831
flat angles P-C4'-P energy: -35.040
tors. eta vs tors. theta energy: -48.688
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: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -584.006071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.006071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.006071 (E_RNA)
where:
Base-Base interactions energy: -373.884
where: short stacking energy: -175.172
Base-Backbone interact. energy: -0.805
local terms energy: -209.317082
where:
bonds (distance) C4'-P energy: -39.474
bonds (distance) P-C4' energy: -47.082
flat angles C4'-P-C4' energy: -51.287
flat angles P-C4'-P energy: -33.778
tors. eta vs tors. theta energy: -37.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -213.055653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.055653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.055653 (E_RNA)
where:
Base-Base interactions energy: -60.879
where: short stacking energy: -56.681
Base-Backbone interact. energy: -0.815
local terms energy: -151.361794
where:
bonds (distance) C4'-P energy: -40.401
bonds (distance) P-C4' energy: -55.524
flat angles C4'-P-C4' energy: -38.347
flat angles P-C4'-P energy: -26.765
tors. eta vs tors. theta energy: 9.675
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: 9
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -968.501902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.501902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.501902 (E_RNA)
where:
Base-Base interactions energy: -661.007
where: short stacking energy: -283.234
Base-Backbone interact. energy: 0.448
local terms energy: -307.943204
where:
bonds (distance) C4'-P energy: -55.167
bonds (distance) P-C4' energy: -57.827
flat angles C4'-P-C4' energy: -64.916
flat angles P-C4'-P energy: -43.512
tors. eta vs tors. theta energy: -86.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -936.854968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.854968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.854968 (E_RNA)
where:
Base-Base interactions energy: -666.990
where: short stacking energy: -290.055
Base-Backbone interact. energy: -1.324
local terms energy: -268.541158
where:
bonds (distance) C4'-P energy: -46.278
bonds (distance) P-C4' energy: -43.590
flat angles C4'-P-C4' energy: -55.752
flat angles P-C4'-P energy: -32.059
tors. eta vs tors. theta energy: -90.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -907.949516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.949516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.949516 (E_RNA)
where:
Base-Base interactions energy: -634.904
where: short stacking energy: -253.125
Base-Backbone interact. energy: 0.155
local terms energy: -273.200760
where:
bonds (distance) C4'-P energy: -51.463
bonds (distance) P-C4' energy: -55.963
flat angles C4'-P-C4' energy: -56.022
flat angles P-C4'-P energy: -32.614
tors. eta vs tors. theta energy: -77.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -920.552058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.552058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.552058 (E_RNA)
where:
Base-Base interactions energy: -635.071
where: short stacking energy: -279.153
Base-Backbone interact. energy: 2.412
local terms energy: -287.892956
where:
bonds (distance) C4'-P energy: -43.803
bonds (distance) P-C4' energy: -53.977
flat angles C4'-P-C4' energy: -58.887
flat angles P-C4'-P energy: -45.454
tors. eta vs tors. theta energy: -85.771
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: 5, replica: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -862.260056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.260056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.260056 (E_RNA)
where:
Base-Base interactions energy: -605.135
where: short stacking energy: -248.111
Base-Backbone interact. energy: -1.307
local terms energy: -255.817904
where:
bonds (distance) C4'-P energy: -52.208
bonds (distance) P-C4' energy: -38.871
flat angles C4'-P-C4' energy: -54.257
flat angles P-C4'-P energy: -31.543
tors. eta vs tors. theta energy: -78.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -795.956174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.956174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.956174 (E_RNA)
where:
Base-Base interactions energy: -558.245
where: short stacking energy: -248.472
Base-Backbone interact. energy: -0.579
local terms energy: -237.132455
where:
bonds (distance) C4'-P energy: -44.561
bonds (distance) P-C4' energy: -37.300
flat angles C4'-P-C4' energy: -52.468
flat angles P-C4'-P energy: -35.069
tors. eta vs tors. theta energy: -67.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -649.438379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.438379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.438379 (E_RNA)
where:
Base-Base interactions energy: -459.323
where: short stacking energy: -195.404
Base-Backbone interact. energy: 0.810
local terms energy: -190.925429
where:
bonds (distance) C4'-P energy: -42.030
bonds (distance) P-C4' energy: -39.254
flat angles C4'-P-C4' energy: -31.428
flat angles P-C4'-P energy: -34.224
tors. eta vs tors. theta energy: -43.989
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: 353
Temperature: 1.250000
Total energy: -677.329805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.329805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.329805 (E_RNA)
where:
Base-Base interactions energy: -440.965
where: short stacking energy: -189.990
Base-Backbone interact. energy: 0.466
local terms energy: -236.831546
where:
bonds (distance) C4'-P energy: -52.101
bonds (distance) P-C4' energy: -49.176
flat angles C4'-P-C4' energy: -45.394
flat angles P-C4'-P energy: -37.092
tors. eta vs tors. theta energy: -53.069
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: 10
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -541.723389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.723389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.723389 (E_RNA)
where:
Base-Base interactions energy: -343.524
where: short stacking energy: -179.496
Base-Backbone interact. energy: -1.153
local terms energy: -197.047046
where:
bonds (distance) C4'-P energy: -39.421
bonds (distance) P-C4' energy: -48.811
flat angles C4'-P-C4' energy: -45.587
flat angles P-C4'-P energy: -23.440
tors. eta vs tors. theta energy: -39.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -226.224401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.224401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.224401 (E_RNA)
where:
Base-Base interactions energy: -65.763
where: short stacking energy: -61.790
Base-Backbone interact. energy: -1.180
local terms energy: -159.281503
where:
bonds (distance) C4'-P energy: -58.551
bonds (distance) P-C4' energy: -43.629
flat angles C4'-P-C4' energy: -37.507
flat angles P-C4'-P energy: -20.178
tors. eta vs tors. theta energy: 0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -966.662148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.662148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.662148 (E_RNA)
where:
Base-Base interactions energy: -663.011
where: short stacking energy: -278.732
Base-Backbone interact. energy: -1.266
local terms energy: -302.384590
where:
bonds (distance) C4'-P energy: -46.075
bonds (distance) P-C4' energy: -59.950
flat angles C4'-P-C4' energy: -66.300
flat angles P-C4'-P energy: -45.766
tors. eta vs tors. theta energy: -84.294
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: 9
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -944.864632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.864632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.864632 (E_RNA)
where:
Base-Base interactions energy: -652.947
where: short stacking energy: -278.586
Base-Backbone interact. energy: -0.106
local terms energy: -291.811766
where:
bonds (distance) C4'-P energy: -53.632
bonds (distance) P-C4' energy: -56.812
flat angles C4'-P-C4' energy: -52.977
flat angles P-C4'-P energy: -42.634
tors. eta vs tors. theta energy: -85.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -932.200079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.200079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.200079 (E_RNA)
where:
Base-Base interactions energy: -645.963
where: short stacking energy: -272.524
Base-Backbone interact. energy: -0.939
local terms energy: -285.297919
where:
bonds (distance) C4'-P energy: -51.144
bonds (distance) P-C4' energy: -48.571
flat angles C4'-P-C4' energy: -58.631
flat angles P-C4'-P energy: -43.775
tors. eta vs tors. theta energy: -83.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -887.650656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.650656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.650656 (E_RNA)
where:
Base-Base interactions energy: -608.473
where: short stacking energy: -252.990
Base-Backbone interact. energy: 0.414
local terms energy: -279.591954
where:
bonds (distance) C4'-P energy: -52.074
bonds (distance) P-C4' energy: -46.381
flat angles C4'-P-C4' energy: -65.346
flat angles P-C4'-P energy: -36.975
tors. eta vs tors. theta energy: -78.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -826.817600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.817600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.817600 (E_RNA)
where:
Base-Base interactions energy: -581.880
where: short stacking energy: -229.041
Base-Backbone interact. energy: 1.484
local terms energy: -246.421760
where:
bonds (distance) C4'-P energy: -43.992
bonds (distance) P-C4' energy: -48.645
flat angles C4'-P-C4' energy: -61.170
flat angles P-C4'-P energy: -33.448
tors. eta vs tors. theta energy: -59.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -823.884420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.884420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.884420 (E_RNA)
where:
Base-Base interactions energy: -574.193
where: short stacking energy: -240.312
Base-Backbone interact. energy: -0.696
local terms energy: -248.995796
where:
bonds (distance) C4'-P energy: -41.617
bonds (distance) P-C4' energy: -48.953
flat angles C4'-P-C4' energy: -57.476
flat angles P-C4'-P energy: -29.712
tors. eta vs tors. theta energy: -71.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -675.986188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.986188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.986188 (E_RNA)
where:
Base-Base interactions energy: -431.570
where: short stacking energy: -205.034
Base-Backbone interact. energy: 0.096
local terms energy: -244.511725
where:
bonds (distance) C4'-P energy: -45.484
bonds (distance) P-C4' energy: -48.517
flat angles C4'-P-C4' energy: -50.907
flat angles P-C4'-P energy: -34.206
tors. eta vs tors. theta energy: -65.397
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: 7
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -625.319989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.319989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.319989 (E_RNA)
where:
Base-Base interactions energy: -422.560
where: short stacking energy: -179.175
Base-Backbone interact. energy: 0.143
local terms energy: -202.902506
where:
bonds (distance) C4'-P energy: -47.278
bonds (distance) P-C4' energy: -35.943
flat angles C4'-P-C4' energy: -44.760
flat angles P-C4'-P energy: -31.865
tors. eta vs tors. theta energy: -43.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -533.731596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.731596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.731596 (E_RNA)
where:
Base-Base interactions energy: -345.032
where: short stacking energy: -168.667
Base-Backbone interact. energy: -0.587
local terms energy: -188.112551
where:
bonds (distance) C4'-P energy: -36.486
bonds (distance) P-C4' energy: -51.097
flat angles C4'-P-C4' energy: -46.224
flat angles P-C4'-P energy: -18.310
tors. eta vs tors. theta energy: -35.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -231.609362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.609362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.609362 (E_RNA)
where:
Base-Base interactions energy: -103.580
where: short stacking energy: -56.162
Base-Backbone interact. energy: -0.541
local terms energy: -127.488748
where:
bonds (distance) C4'-P energy: -46.271
bonds (distance) P-C4' energy: -41.896
flat angles C4'-P-C4' energy: -30.978
flat angles P-C4'-P energy: -26.850
tors. eta vs tors. theta energy: 18.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -974.130245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.130245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.130245 (E_RNA)
where:
Base-Base interactions energy: -668.943
where: short stacking energy: -289.572
Base-Backbone interact. energy: -0.648
local terms energy: -304.539200
where:
bonds (distance) C4'-P energy: -50.740
bonds (distance) P-C4' energy: -51.454
flat angles C4'-P-C4' energy: -66.054
flat angles P-C4'-P energy: -45.353
tors. eta vs tors. theta energy: -90.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -945.402292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.402292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.402292 (E_RNA)
where:
Base-Base interactions energy: -658.556
where: short stacking energy: -286.934
Base-Backbone interact. energy: -0.577
local terms energy: -286.269564
where:
bonds (distance) C4'-P energy: -51.003
bonds (distance) P-C4' energy: -48.025
flat angles C4'-P-C4' energy: -58.856
flat angles P-C4'-P energy: -44.313
tors. eta vs tors. theta energy: -84.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -918.735662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.735662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.735662 (E_RNA)
where:
Base-Base interactions energy: -635.261
where: short stacking energy: -285.077
Base-Backbone interact. energy: -1.247
local terms energy: -282.228054
where:
bonds (distance) C4'-P energy: -49.862
bonds (distance) P-C4' energy: -55.781
flat angles C4'-P-C4' energy: -54.727
flat angles P-C4'-P energy: -36.438
tors. eta vs tors. theta energy: -85.420
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: 355
Temperature: 1.050000
Total energy: -885.129791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.129791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.129791 (E_RNA)
where:
Base-Base interactions energy: -604.496
where: short stacking energy: -259.449
Base-Backbone interact. energy: -1.955
local terms energy: -278.678859
where:
bonds (distance) C4'-P energy: -51.876
bonds (distance) P-C4' energy: -50.211
flat angles C4'-P-C4' energy: -56.370
flat angles P-C4'-P energy: -43.140
tors. eta vs tors. theta energy: -77.082
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: 355
Temperature: 1.100000
Total energy: -838.067410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.067410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.067410 (E_RNA)
where:
Base-Base interactions energy: -585.493
where: short stacking energy: -234.033
Base-Backbone interact. energy: 0.161
local terms energy: -252.735081
where:
bonds (distance) C4'-P energy: -46.598
bonds (distance) P-C4' energy: -57.360
flat angles C4'-P-C4' energy: -53.335
flat angles P-C4'-P energy: -34.450
tors. eta vs tors. theta energy: -60.992
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: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -808.088350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.088350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.088350 (E_RNA)
where:
Base-Base interactions energy: -567.547
where: short stacking energy: -238.192
Base-Backbone interact. energy: -1.043
local terms energy: -239.498367
where:
bonds (distance) C4'-P energy: -35.326
bonds (distance) P-C4' energy: -47.926
flat angles C4'-P-C4' energy: -43.425
flat angles P-C4'-P energy: -44.164
tors. eta vs tors. theta energy: -68.657
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: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -680.814418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.814418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.814418 (E_RNA)
where:
Base-Base interactions energy: -449.108
where: short stacking energy: -200.140
Base-Backbone interact. energy: -0.487
local terms energy: -231.219251
where:
bonds (distance) C4'-P energy: -48.688
bonds (distance) P-C4' energy: -36.870
flat angles C4'-P-C4' energy: -53.430
flat angles P-C4'-P energy: -36.270
tors. eta vs tors. theta energy: -55.962
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: 7
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -612.985350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.985350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.985350 (E_RNA)
where:
Base-Base interactions energy: -413.477
where: short stacking energy: -178.467
Base-Backbone interact. energy: 1.324
local terms energy: -200.832751
where:
bonds (distance) C4'-P energy: -36.613
bonds (distance) P-C4' energy: -39.111
flat angles C4'-P-C4' energy: -41.889
flat angles P-C4'-P energy: -35.904
tors. eta vs tors. theta energy: -47.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -495.154025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.154025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.154025 (E_RNA)
where:
Base-Base interactions energy: -301.898
where: short stacking energy: -138.934
Base-Backbone interact. energy: -0.788
local terms energy: -192.468492
where:
bonds (distance) C4'-P energy: -45.800
bonds (distance) P-C4' energy: -44.415
flat angles C4'-P-C4' energy: -51.924
flat angles P-C4'-P energy: -29.571
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -211.610374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.610374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.610374 (E_RNA)
where:
Base-Base interactions energy: -77.447
where: short stacking energy: -68.299
Base-Backbone interact. energy: 0.255
local terms energy: -134.418400
where:
bonds (distance) C4'-P energy: -43.941
bonds (distance) P-C4' energy: -45.874
flat angles C4'-P-C4' energy: -27.499
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -0.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -957.715383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.715383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.715383 (E_RNA)
where:
Base-Base interactions energy: -660.325
where: short stacking energy: -284.070
Base-Backbone interact. energy: -0.568
local terms energy: -296.821735
where:
bonds (distance) C4'-P energy: -49.682
bonds (distance) P-C4' energy: -57.317
flat angles C4'-P-C4' energy: -63.532
flat angles P-C4'-P energy: -43.165
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: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -940.901823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.901823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.901823 (E_RNA)
where:
Base-Base interactions energy: -641.764
where: short stacking energy: -279.467
Base-Backbone interact. energy: -1.563
local terms energy: -297.575028
where:
bonds (distance) C4'-P energy: -57.898
bonds (distance) P-C4' energy: -45.776
flat angles C4'-P-C4' energy: -59.855
flat angles P-C4'-P energy: -45.820
tors. eta vs tors. theta energy: -88.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -922.879157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.879157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.879157 (E_RNA)
where:
Base-Base interactions energy: -647.843
where: short stacking energy: -281.828
Base-Backbone interact. energy: 1.260
local terms energy: -276.296951
where:
bonds (distance) C4'-P energy: -43.488
bonds (distance) P-C4' energy: -48.049
flat angles C4'-P-C4' energy: -53.441
flat angles P-C4'-P energy: -42.423
tors. eta vs tors. theta energy: -88.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -885.044916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.044916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.044916 (E_RNA)
where:
Base-Base interactions energy: -620.528
where: short stacking energy: -270.474
Base-Backbone interact. energy: 0.642
local terms energy: -265.158275
where:
bonds (distance) C4'-P energy: -43.715
bonds (distance) P-C4' energy: -46.946
flat angles C4'-P-C4' energy: -51.817
flat angles P-C4'-P energy: -44.994
tors. eta vs tors. theta energy: -77.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -850.500786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.500786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.500786 (E_RNA)
where:
Base-Base interactions energy: -587.271
where: short stacking energy: -234.469
Base-Backbone interact. energy: 0.938
local terms energy: -264.167926
where:
bonds (distance) C4'-P energy: -47.979
bonds (distance) P-C4' energy: -51.039
flat angles C4'-P-C4' energy: -61.566
flat angles P-C4'-P energy: -35.322
tors. eta vs tors. theta energy: -68.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -824.198855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.198855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.198855 (E_RNA)
where:
Base-Base interactions energy: -584.007
where: short stacking energy: -242.060
Base-Backbone interact. energy: 0.541
local terms energy: -240.732554
where:
bonds (distance) C4'-P energy: -39.248
bonds (distance) P-C4' energy: -44.056
flat angles C4'-P-C4' energy: -52.177
flat angles P-C4'-P energy: -38.282
tors. eta vs tors. theta energy: -66.970
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: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -645.574619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.574619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.574619 (E_RNA)
where:
Base-Base interactions energy: -427.342
where: short stacking energy: -186.399
Base-Backbone interact. energy: -0.456
local terms energy: -217.776896
where:
bonds (distance) C4'-P energy: -44.699
bonds (distance) P-C4' energy: -50.181
flat angles C4'-P-C4' energy: -45.907
flat angles P-C4'-P energy: -42.434
tors. eta vs tors. theta energy: -34.557
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: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -657.427295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.427295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.427295 (E_RNA)
where:
Base-Base interactions energy: -430.874
where: short stacking energy: -194.122
Base-Backbone interact. energy: -1.048
local terms energy: -225.505230
where:
bonds (distance) C4'-P energy: -47.204
bonds (distance) P-C4' energy: -48.518
flat angles C4'-P-C4' energy: -42.752
flat angles P-C4'-P energy: -30.602
tors. eta vs tors. theta energy: -56.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -539.200058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.200058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.200058 (E_RNA)
where:
Base-Base interactions energy: -344.751
where: short stacking energy: -150.706
Base-Backbone interact. energy: 0.680
local terms energy: -195.129070
where:
bonds (distance) C4'-P energy: -46.004
bonds (distance) P-C4' energy: -46.700
flat angles C4'-P-C4' energy: -44.153
flat angles P-C4'-P energy: -19.803
tors. eta vs tors. theta energy: -38.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -246.061344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.061344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.061344 (E_RNA)
where:
Base-Base interactions energy: -95.185
where: short stacking energy: -74.797
Base-Backbone interact. energy: -1.120
local terms energy: -149.756216
where:
bonds (distance) C4'-P energy: -32.599
bonds (distance) P-C4' energy: -47.130
flat angles C4'-P-C4' energy: -44.741
flat angles P-C4'-P energy: -26.266
tors. eta vs tors. theta energy: 0.980
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: 9
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -965.958287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.958287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.958287 (E_RNA)
where:
Base-Base interactions energy: -663.745
where: short stacking energy: -284.397
Base-Backbone interact. energy: -0.529
local terms energy: -301.684266
where:
bonds (distance) C4'-P energy: -48.110
bonds (distance) P-C4' energy: -53.635
flat angles C4'-P-C4' energy: -65.675
flat angles P-C4'-P energy: -44.807
tors. eta vs tors. theta energy: -89.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -946.345244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.345244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.345244 (E_RNA)
where:
Base-Base interactions energy: -660.257
where: short stacking energy: -279.535
Base-Backbone interact. energy: -0.712
local terms energy: -285.375365
where:
bonds (distance) C4'-P energy: -45.529
bonds (distance) P-C4' energy: -54.447
flat angles C4'-P-C4' energy: -61.818
flat angles P-C4'-P energy: -35.346
tors. eta vs tors. theta energy: -88.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -940.282834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.282834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.282834 (E_RNA)
where:
Base-Base interactions energy: -662.222
where: short stacking energy: -291.106
Base-Backbone interact. energy: -0.829
local terms energy: -277.231987
where:
bonds (distance) C4'-P energy: -47.648
bonds (distance) P-C4' energy: -39.247
flat angles C4'-P-C4' energy: -61.785
flat angles P-C4'-P energy: -40.588
tors. eta vs tors. theta energy: -87.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -890.778385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.778385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.778385 (E_RNA)
where:
Base-Base interactions energy: -615.384
where: short stacking energy: -250.865
Base-Backbone interact. energy: -2.117
local terms energy: -273.277212
where:
bonds (distance) C4'-P energy: -53.238
bonds (distance) P-C4' energy: -54.839
flat angles C4'-P-C4' energy: -53.962
flat angles P-C4'-P energy: -43.754
tors. eta vs tors. theta energy: -67.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -848.081221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.081221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.081221 (E_RNA)
where:
Base-Base interactions energy: -592.526
where: short stacking energy: -237.296
Base-Backbone interact. energy: 1.847
local terms energy: -257.402322
where:
bonds (distance) C4'-P energy: -56.120
bonds (distance) P-C4' energy: -50.261
flat angles C4'-P-C4' energy: -51.053
flat angles P-C4'-P energy: -36.758
tors. eta vs tors. theta energy: -63.211
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: 1
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -815.722633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.722633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.722633 (E_RNA)
where:
Base-Base interactions energy: -577.576
where: short stacking energy: -239.436
Base-Backbone interact. energy: -1.019
local terms energy: -237.127427
where:
bonds (distance) C4'-P energy: -37.837
bonds (distance) P-C4' energy: -43.003
flat angles C4'-P-C4' energy: -51.094
flat angles P-C4'-P energy: -33.919
tors. eta vs tors. theta energy: -71.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -654.524877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.524877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.524877 (E_RNA)
where:
Base-Base interactions energy: -433.644
where: short stacking energy: -188.305
Base-Backbone interact. energy: -1.882
local terms energy: -218.998729
where:
bonds (distance) C4'-P energy: -43.093
bonds (distance) P-C4' energy: -43.935
flat angles C4'-P-C4' energy: -49.868
flat angles P-C4'-P energy: -30.849
tors. eta vs tors. theta energy: -51.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -637.700538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.700538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.700538 (E_RNA)
where:
Base-Base interactions energy: -428.432
where: short stacking energy: -175.711
Base-Backbone interact. energy: -0.948
local terms energy: -208.320200
where:
bonds (distance) C4'-P energy: -38.816
bonds (distance) P-C4' energy: -43.662
flat angles C4'-P-C4' energy: -42.371
flat angles P-C4'-P energy: -34.986
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: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -432.019798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.019798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.019798 (E_RNA)
where:
Base-Base interactions energy: -276.612
where: short stacking energy: -131.334
Base-Backbone interact. energy: -1.062
local terms energy: -154.345643
where:
bonds (distance) C4'-P energy: -32.728
bonds (distance) P-C4' energy: -37.293
flat angles C4'-P-C4' energy: -29.701
flat angles P-C4'-P energy: -26.749
tors. eta vs tors. theta energy: -27.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -248.347444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.347444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.347444 (E_RNA)
where:
Base-Base interactions energy: -117.301
where: short stacking energy: -80.067
Base-Backbone interact. energy: 0.640
local terms energy: -131.686939
where:
bonds (distance) C4'-P energy: -41.882
bonds (distance) P-C4' energy: -41.701
flat angles C4'-P-C4' energy: -43.368
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: 2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -971.010124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.010124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.010124 (E_RNA)
where:
Base-Base interactions energy: -673.706
where: short stacking energy: -289.599
Base-Backbone interact. energy: -1.772
local terms energy: -295.532407
where:
bonds (distance) C4'-P energy: -52.974
bonds (distance) P-C4' energy: -50.914
flat angles C4'-P-C4' energy: -55.931
flat angles P-C4'-P energy: -46.412
tors. eta vs tors. theta energy: -89.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -950.788780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.788780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.788780 (E_RNA)
where:
Base-Base interactions energy: -672.745
where: short stacking energy: -291.884
Base-Backbone interact. energy: -0.504
local terms energy: -277.539183
where:
bonds (distance) C4'-P energy: -52.914
bonds (distance) P-C4' energy: -52.421
flat angles C4'-P-C4' energy: -51.332
flat angles P-C4'-P energy: -35.308
tors. eta vs tors. theta energy: -85.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -929.990324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.990324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.990324 (E_RNA)
where:
Base-Base interactions energy: -637.903
where: short stacking energy: -284.744
Base-Backbone interact. energy: 1.983
local terms energy: -294.070492
where:
bonds (distance) C4'-P energy: -58.391
bonds (distance) P-C4' energy: -46.147
flat angles C4'-P-C4' energy: -59.480
flat angles P-C4'-P energy: -43.341
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: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -880.573602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.573602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.573602 (E_RNA)
where:
Base-Base interactions energy: -623.273
where: short stacking energy: -262.127
Base-Backbone interact. energy: -1.126
local terms energy: -256.174089
where:
bonds (distance) C4'-P energy: -40.409
bonds (distance) P-C4' energy: -57.030
flat angles C4'-P-C4' energy: -51.528
flat angles P-C4'-P energy: -35.271
tors. eta vs tors. theta energy: -71.936
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: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -812.889884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.889884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.889884 (E_RNA)
where:
Base-Base interactions energy: -567.221
where: short stacking energy: -245.193
Base-Backbone interact. energy: -0.445
local terms energy: -245.223904
where:
bonds (distance) C4'-P energy: -46.897
bonds (distance) P-C4' energy: -46.391
flat angles C4'-P-C4' energy: -53.640
flat angles P-C4'-P energy: -33.955
tors. eta vs tors. theta energy: -64.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -828.795246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.795246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.795246 (E_RNA)
where:
Base-Base interactions energy: -582.700
where: short stacking energy: -218.281
Base-Backbone interact. energy: 1.237
local terms energy: -247.332187
where:
bonds (distance) C4'-P energy: -45.039
bonds (distance) P-C4' energy: -62.487
flat angles C4'-P-C4' energy: -50.097
flat angles P-C4'-P energy: -32.312
tors. eta vs tors. theta energy: -57.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -719.326747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.326747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.326747 (E_RNA)
where:
Base-Base interactions energy: -491.243
where: short stacking energy: -202.755
Base-Backbone interact. energy: 0.877
local terms energy: -228.960305
where:
bonds (distance) C4'-P energy: -43.977
bonds (distance) P-C4' energy: -54.771
flat angles C4'-P-C4' energy: -47.467
flat angles P-C4'-P energy: -26.450
tors. eta vs tors. theta energy: -56.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -643.949668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.949668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.949668 (E_RNA)
where:
Base-Base interactions energy: -454.597
where: short stacking energy: -182.647
Base-Backbone interact. energy: 0.710
local terms energy: -190.062223
where:
bonds (distance) C4'-P energy: -32.652
bonds (distance) P-C4' energy: -40.994
flat angles C4'-P-C4' energy: -45.352
flat angles P-C4'-P energy: -28.478
tors. eta vs tors. theta energy: -42.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -426.197617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.197617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.197617 (E_RNA)
where:
Base-Base interactions energy: -240.308
where: short stacking energy: -125.348
Base-Backbone interact. energy: 1.299
local terms energy: -187.189002
where:
bonds (distance) C4'-P energy: -51.489
bonds (distance) P-C4' energy: -42.665
flat angles C4'-P-C4' energy: -45.028
flat angles P-C4'-P energy: -25.155
tors. eta vs tors. theta energy: -22.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -253.911780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.911780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.911780 (E_RNA)
where:
Base-Base interactions energy: -112.843
where: short stacking energy: -76.112
Base-Backbone interact. energy: 0.494
local terms energy: -141.562963
where:
bonds (distance) C4'-P energy: -46.611
bonds (distance) P-C4' energy: -35.193
flat angles C4'-P-C4' energy: -32.986
flat angles P-C4'-P energy: -34.372
tors. eta vs tors. theta energy: 7.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -967.369836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.369836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.369836 (E_RNA)
where:
Base-Base interactions energy: -671.758
where: short stacking energy: -297.079
Base-Backbone interact. energy: -0.431
local terms energy: -295.181063
where:
bonds (distance) C4'-P energy: -51.768
bonds (distance) P-C4' energy: -55.867
flat angles C4'-P-C4' energy: -57.119
flat angles P-C4'-P energy: -39.877
tors. eta vs tors. theta energy: -90.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -956.505970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.505970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.505970 (E_RNA)
where:
Base-Base interactions energy: -671.443
where: short stacking energy: -284.231
Base-Backbone interact. energy: -0.846
local terms energy: -284.216053
where:
bonds (distance) C4'-P energy: -50.687
bonds (distance) P-C4' energy: -45.641
flat angles C4'-P-C4' energy: -57.349
flat angles P-C4'-P energy: -47.462
tors. eta vs tors. theta energy: -83.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -943.044220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.044220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.044220 (E_RNA)
where:
Base-Base interactions energy: -666.614
where: short stacking energy: -280.367
Base-Backbone interact. energy: -1.019
local terms energy: -275.411114
where:
bonds (distance) C4'-P energy: -48.880
bonds (distance) P-C4' energy: -48.567
flat angles C4'-P-C4' energy: -51.544
flat angles P-C4'-P energy: -42.045
tors. eta vs tors. theta energy: -84.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -907.831832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.831832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.831832 (E_RNA)
where:
Base-Base interactions energy: -616.124
where: short stacking energy: -255.275
Base-Backbone interact. energy: -1.619
local terms energy: -290.089220
where:
bonds (distance) C4'-P energy: -53.630
bonds (distance) P-C4' energy: -56.265
flat angles C4'-P-C4' energy: -63.170
flat angles P-C4'-P energy: -34.730
tors. eta vs tors. theta energy: -82.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -829.925235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.925235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.925235 (E_RNA)
where:
Base-Base interactions energy: -572.306
where: short stacking energy: -249.099
Base-Backbone interact. energy: -0.317
local terms energy: -257.302085
where:
bonds (distance) C4'-P energy: -50.882
bonds (distance) P-C4' energy: -50.290
flat angles C4'-P-C4' energy: -44.549
flat angles P-C4'-P energy: -39.699
tors. eta vs tors. theta energy: -71.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -812.436273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.436273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.436273 (E_RNA)
where:
Base-Base interactions energy: -580.017
where: short stacking energy: -235.951
Base-Backbone interact. energy: 1.009
local terms energy: -233.427856
where:
bonds (distance) C4'-P energy: -45.723
bonds (distance) P-C4' energy: -34.332
flat angles C4'-P-C4' energy: -49.774
flat angles P-C4'-P energy: -37.409
tors. eta vs tors. theta energy: -66.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -721.358148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.358148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.358148 (E_RNA)
where:
Base-Base interactions energy: -493.274
where: short stacking energy: -209.026
Base-Backbone interact. energy: -0.624
local terms energy: -227.460778
where:
bonds (distance) C4'-P energy: -48.149
bonds (distance) P-C4' energy: -39.394
flat angles C4'-P-C4' energy: -52.766
flat angles P-C4'-P energy: -28.074
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: 8, replica: 7
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -632.777510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.777510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.777510 (E_RNA)
where:
Base-Base interactions energy: -428.239
where: short stacking energy: -181.037
Base-Backbone interact. energy: -0.625
local terms energy: -203.914300
where:
bonds (distance) C4'-P energy: -40.316
bonds (distance) P-C4' energy: -40.571
flat angles C4'-P-C4' energy: -47.679
flat angles P-C4'-P energy: -33.029
tors. eta vs tors. theta energy: -42.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -468.110451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.110451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.110451 (E_RNA)
where:
Base-Base interactions energy: -290.222
where: short stacking energy: -150.869
Base-Backbone interact. energy: -0.025
local terms energy: -177.864142
where:
bonds (distance) C4'-P energy: -42.767
bonds (distance) P-C4' energy: -41.205
flat angles C4'-P-C4' energy: -43.292
flat angles P-C4'-P energy: -19.532
tors. eta vs tors. theta energy: -31.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -235.242856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.242856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.242856 (E_RNA)
where:
Base-Base interactions energy: -96.992
where: short stacking energy: -61.730
Base-Backbone interact. energy: -0.358
local terms energy: -137.892879
where:
bonds (distance) C4'-P energy: -38.882
bonds (distance) P-C4' energy: -41.891
flat angles C4'-P-C4' energy: -44.122
flat angles P-C4'-P energy: -16.272
tors. eta vs tors. theta energy: 3.275
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: 9
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -984.204123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.204123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.204123 (E_RNA)
where:
Base-Base interactions energy: -670.410
where: short stacking energy: -293.801
Base-Backbone interact. energy: -1.099
local terms energy: -312.695103
where:
bonds (distance) C4'-P energy: -53.991
bonds (distance) P-C4' energy: -57.235
flat angles C4'-P-C4' energy: -68.529
flat angles P-C4'-P energy: -41.015
tors. eta vs tors. theta energy: -91.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -937.119666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.119666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.119666 (E_RNA)
where:
Base-Base interactions energy: -645.253
where: short stacking energy: -265.324
Base-Backbone interact. energy: 0.305
local terms energy: -292.171630
where:
bonds (distance) C4'-P energy: -57.725
bonds (distance) P-C4' energy: -55.861
flat angles C4'-P-C4' energy: -63.951
flat angles P-C4'-P energy: -41.700
tors. eta vs tors. theta energy: -72.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -918.002531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.002531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.002531 (E_RNA)
where:
Base-Base interactions energy: -629.874
where: short stacking energy: -265.445
Base-Backbone interact. energy: -0.934
local terms energy: -287.194992
where:
bonds (distance) C4'-P energy: -57.539
bonds (distance) P-C4' energy: -50.318
flat angles C4'-P-C4' energy: -58.379
flat angles P-C4'-P energy: -42.166
tors. eta vs tors. theta energy: -78.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -898.764301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.764301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.764301 (E_RNA)
where:
Base-Base interactions energy: -624.521
where: short stacking energy: -259.848
Base-Backbone interact. energy: -0.191
local terms energy: -274.052042
where:
bonds (distance) C4'-P energy: -50.700
bonds (distance) P-C4' energy: -48.425
flat angles C4'-P-C4' energy: -56.597
flat angles P-C4'-P energy: -41.344
tors. eta vs tors. theta energy: -76.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -821.330277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.330277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.330277 (E_RNA)
where:
Base-Base interactions energy: -557.559
where: short stacking energy: -238.736
Base-Backbone interact. energy: -1.847
local terms energy: -261.923535
where:
bonds (distance) C4'-P energy: -54.618
bonds (distance) P-C4' energy: -44.882
flat angles C4'-P-C4' energy: -56.566
flat angles P-C4'-P energy: -38.402
tors. eta vs tors. theta energy: -67.456
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: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -820.681765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.681765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.681765 (E_RNA)
where:
Base-Base interactions energy: -579.469
where: short stacking energy: -236.557
Base-Backbone interact. energy: -3.451
local terms energy: -237.762392
where:
bonds (distance) C4'-P energy: -40.565
bonds (distance) P-C4' energy: -38.094
flat angles C4'-P-C4' energy: -59.471
flat angles P-C4'-P energy: -32.689
tors. eta vs tors. theta energy: -66.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -757.784590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.784590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.784590 (E_RNA)
where:
Base-Base interactions energy: -509.830
where: short stacking energy: -226.252
Base-Backbone interact. energy: 2.999
local terms energy: -250.953318
where:
bonds (distance) C4'-P energy: -47.375
bonds (distance) P-C4' energy: -45.888
flat angles C4'-P-C4' energy: -55.628
flat angles P-C4'-P energy: -35.582
tors. eta vs tors. theta energy: -66.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -687.916066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.916066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.916066 (E_RNA)
where:
Base-Base interactions energy: -480.592
where: short stacking energy: -196.240
Base-Backbone interact. energy: -1.195
local terms energy: -206.128682
where:
bonds (distance) C4'-P energy: -43.617
bonds (distance) P-C4' energy: -39.572
flat angles C4'-P-C4' energy: -48.639
flat angles P-C4'-P energy: -25.343
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: 10
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -501.964985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.964985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.964985 (E_RNA)
where:
Base-Base interactions energy: -317.742
where: short stacking energy: -150.459
Base-Backbone interact. energy: -1.336
local terms energy: -182.887375
where:
bonds (distance) C4'-P energy: -42.601
bonds (distance) P-C4' energy: -36.518
flat angles C4'-P-C4' energy: -46.482
flat angles P-C4'-P energy: -27.258
tors. eta vs tors. theta energy: -30.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -202.029178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.029178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.029178 (E_RNA)
where:
Base-Base interactions energy: -68.614
where: short stacking energy: -47.981
Base-Backbone interact. energy: -0.663
local terms energy: -132.751637
where:
bonds (distance) C4'-P energy: -45.317
bonds (distance) P-C4' energy: -34.991
flat angles C4'-P-C4' energy: -39.709
flat angles P-C4'-P energy: -17.113
tors. eta vs tors. theta energy: 4.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -981.060583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.060583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.060583 (E_RNA)
where:
Base-Base interactions energy: -680.799
where: short stacking energy: -287.566
Base-Backbone interact. energy: -1.187
local terms energy: -299.074256
where:
bonds (distance) C4'-P energy: -51.021
bonds (distance) P-C4' energy: -54.349
flat angles C4'-P-C4' energy: -59.696
flat angles P-C4'-P energy: -44.784
tors. eta vs tors. theta energy: -89.224
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: 361
Temperature: 0.950000
Total energy: -959.232132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.232132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.232132 (E_RNA)
where:
Base-Base interactions energy: -655.229
where: short stacking energy: -299.669
Base-Backbone interact. energy: -0.210
local terms energy: -303.793438
where:
bonds (distance) C4'-P energy: -47.396
bonds (distance) P-C4' energy: -59.602
flat angles C4'-P-C4' energy: -59.946
flat angles P-C4'-P energy: -47.817
tors. eta vs tors. theta energy: -89.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -938.791835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.791835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.791835 (E_RNA)
where:
Base-Base interactions energy: -662.848
where: short stacking energy: -285.773
Base-Backbone interact. energy: 0.102
local terms energy: -276.046365
where:
bonds (distance) C4'-P energy: -53.539
bonds (distance) P-C4' energy: -42.082
flat angles C4'-P-C4' energy: -63.426
flat angles P-C4'-P energy: -32.517
tors. eta vs tors. theta energy: -84.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -896.442555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.442555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.442555 (E_RNA)
where:
Base-Base interactions energy: -629.553
where: short stacking energy: -274.259
Base-Backbone interact. energy: -0.635
local terms energy: -266.254649
where:
bonds (distance) C4'-P energy: -47.564
bonds (distance) P-C4' energy: -41.525
flat angles C4'-P-C4' energy: -53.362
flat angles P-C4'-P energy: -45.418
tors. eta vs tors. theta energy: -78.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -835.211584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.211584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.211584 (E_RNA)
where:
Base-Base interactions energy: -583.326
where: short stacking energy: -253.185
Base-Backbone interact. energy: -0.477
local terms energy: -251.409191
where:
bonds (distance) C4'-P energy: -45.198
bonds (distance) P-C4' energy: -47.425
flat angles C4'-P-C4' energy: -50.143
flat angles P-C4'-P energy: -36.939
tors. eta vs tors. theta energy: -71.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -802.937176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.937176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.937176 (E_RNA)
where:
Base-Base interactions energy: -554.261
where: short stacking energy: -240.566
Base-Backbone interact. energy: -0.971
local terms energy: -247.704646
where:
bonds (distance) C4'-P energy: -48.831
bonds (distance) P-C4' energy: -49.570
flat angles C4'-P-C4' energy: -49.710
flat angles P-C4'-P energy: -36.719
tors. eta vs tors. theta energy: -62.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -756.151526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.151526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.151526 (E_RNA)
where:
Base-Base interactions energy: -533.426
where: short stacking energy: -227.825
Base-Backbone interact. energy: -2.878
local terms energy: -219.846604
where:
bonds (distance) C4'-P energy: -36.918
bonds (distance) P-C4' energy: -47.802
flat angles C4'-P-C4' energy: -48.147
flat angles P-C4'-P energy: -31.981
tors. eta vs tors. theta energy: -54.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -735.689031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.689031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.689031 (E_RNA)
where:
Base-Base interactions energy: -497.135
where: short stacking energy: -202.168
Base-Backbone interact. energy: -0.353
local terms energy: -238.201451
where:
bonds (distance) C4'-P energy: -49.473
bonds (distance) P-C4' energy: -50.478
flat angles C4'-P-C4' energy: -49.400
flat angles P-C4'-P energy: -34.929
tors. eta vs tors. theta energy: -53.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -531.420571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.420571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.420571 (E_RNA)
where:
Base-Base interactions energy: -338.040
where: short stacking energy: -169.784
Base-Backbone interact. energy: -1.411
local terms energy: -191.969175
where:
bonds (distance) C4'-P energy: -37.255
bonds (distance) P-C4' energy: -49.989
flat angles C4'-P-C4' energy: -41.761
flat angles P-C4'-P energy: -26.369
tors. eta vs tors. theta energy: -36.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -259.811982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.811982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.811982 (E_RNA)
where:
Base-Base interactions energy: -106.127
where: short stacking energy: -62.676
Base-Backbone interact. energy: 4.764
local terms energy: -158.448531
where:
bonds (distance) C4'-P energy: -49.900
bonds (distance) P-C4' energy: -45.201
flat angles C4'-P-C4' energy: -40.784
flat angles P-C4'-P energy: -28.348
tors. eta vs tors. theta energy: 5.785
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: 9
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -974.972897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.972897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.972897 (E_RNA)
where:
Base-Base interactions energy: -677.684
where: short stacking energy: -282.121
Base-Backbone interact. energy: -1.209
local terms energy: -296.079825
where:
bonds (distance) C4'-P energy: -58.085
bonds (distance) P-C4' energy: -54.492
flat angles C4'-P-C4' energy: -63.667
flat angles P-C4'-P energy: -39.045
tors. eta vs tors. theta energy: -80.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -942.450967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.450967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.450967 (E_RNA)
where:
Base-Base interactions energy: -651.946
where: short stacking energy: -280.711
Base-Backbone interact. energy: -0.698
local terms energy: -289.807698
where:
bonds (distance) C4'-P energy: -45.004
bonds (distance) P-C4' energy: -61.921
flat angles C4'-P-C4' energy: -52.498
flat angles P-C4'-P energy: -46.115
tors. eta vs tors. theta energy: -84.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -913.089144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.089144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.089144 (E_RNA)
where:
Base-Base interactions energy: -624.915
where: short stacking energy: -265.485
Base-Backbone interact. energy: -0.531
local terms energy: -287.643176
where:
bonds (distance) C4'-P energy: -56.063
bonds (distance) P-C4' energy: -50.079
flat angles C4'-P-C4' energy: -62.100
flat angles P-C4'-P energy: -43.897
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: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -881.983760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.983760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.983760 (E_RNA)
where:
Base-Base interactions energy: -618.918
where: short stacking energy: -271.252
Base-Backbone interact. energy: -0.162
local terms energy: -262.903343
where:
bonds (distance) C4'-P energy: -36.378
bonds (distance) P-C4' energy: -44.984
flat angles C4'-P-C4' energy: -58.348
flat angles P-C4'-P energy: -45.309
tors. eta vs tors. theta energy: -77.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -787.900000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.900000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.900000 (E_RNA)
where:
Base-Base interactions energy: -540.617
where: short stacking energy: -227.617
Base-Backbone interact. energy: -1.043
local terms energy: -246.239813
where:
bonds (distance) C4'-P energy: -44.294
bonds (distance) P-C4' energy: -54.573
flat angles C4'-P-C4' energy: -50.827
flat angles P-C4'-P energy: -31.606
tors. eta vs tors. theta energy: -64.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -775.038217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.038217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.038217 (E_RNA)
where:
Base-Base interactions energy: -547.418
where: short stacking energy: -207.726
Base-Backbone interact. energy: -1.517
local terms energy: -226.102760
where:
bonds (distance) C4'-P energy: -49.345
bonds (distance) P-C4' energy: -50.398
flat angles C4'-P-C4' energy: -55.127
flat angles P-C4'-P energy: -30.118
tors. eta vs tors. theta energy: -41.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -754.130292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.130292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.130292 (E_RNA)
where:
Base-Base interactions energy: -513.278
where: short stacking energy: -223.850
Base-Backbone interact. energy: -2.961
local terms energy: -237.891244
where:
bonds (distance) C4'-P energy: -45.057
bonds (distance) P-C4' energy: -48.237
flat angles C4'-P-C4' energy: -45.351
flat angles P-C4'-P energy: -33.648
tors. eta vs tors. theta energy: -65.598
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: 362
Temperature: 1.250000
Total energy: -738.543676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.543676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.543676 (E_RNA)
where:
Base-Base interactions energy: -495.932
where: short stacking energy: -219.350
Base-Backbone interact. energy: -0.063
local terms energy: -242.548461
where:
bonds (distance) C4'-P energy: -44.150
bonds (distance) P-C4' energy: -40.990
flat angles C4'-P-C4' energy: -59.244
flat angles P-C4'-P energy: -37.564
tors. eta vs tors. theta energy: -60.601
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: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -521.073993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.073993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.073993 (E_RNA)
where:
Base-Base interactions energy: -340.037
where: short stacking energy: -162.500
Base-Backbone interact. energy: -0.432
local terms energy: -180.604756
where:
bonds (distance) C4'-P energy: -42.489
bonds (distance) P-C4' energy: -33.919
flat angles C4'-P-C4' energy: -43.720
flat angles P-C4'-P energy: -24.584
tors. eta vs tors. theta energy: -35.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -279.083028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.083028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.083028 (E_RNA)
where:
Base-Base interactions energy: -142.467
where: short stacking energy: -82.043
Base-Backbone interact. energy: -0.069
local terms energy: -136.547101
where:
bonds (distance) C4'-P energy: -50.693
bonds (distance) P-C4' energy: -49.856
flat angles C4'-P-C4' energy: -35.508
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: 5.572
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: 9
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -950.860088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.860088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.860088 (E_RNA)
where:
Base-Base interactions energy: -653.447
where: short stacking energy: -288.751
Base-Backbone interact. energy: -0.805
local terms energy: -296.607897
where:
bonds (distance) C4'-P energy: -46.778
bonds (distance) P-C4' energy: -55.807
flat angles C4'-P-C4' energy: -60.631
flat angles P-C4'-P energy: -47.614
tors. eta vs tors. theta energy: -85.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -947.709292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.709292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.709292 (E_RNA)
where:
Base-Base interactions energy: -655.137
where: short stacking energy: -293.795
Base-Backbone interact. energy: -0.550
local terms energy: -292.022487
where:
bonds (distance) C4'-P energy: -52.736
bonds (distance) P-C4' energy: -49.998
flat angles C4'-P-C4' energy: -59.888
flat angles P-C4'-P energy: -43.482
tors. eta vs tors. theta energy: -85.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -916.732212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.732212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.732212 (E_RNA)
where:
Base-Base interactions energy: -645.921
where: short stacking energy: -266.570
Base-Backbone interact. energy: -0.865
local terms energy: -269.946385
where:
bonds (distance) C4'-P energy: -41.265
bonds (distance) P-C4' energy: -57.732
flat angles C4'-P-C4' energy: -53.310
flat angles P-C4'-P energy: -38.400
tors. eta vs tors. theta energy: -79.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -890.574948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.574948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.574948 (E_RNA)
where:
Base-Base interactions energy: -617.371
where: short stacking energy: -274.504
Base-Backbone interact. energy: -0.857
local terms energy: -272.346604
where:
bonds (distance) C4'-P energy: -45.731
bonds (distance) P-C4' energy: -50.733
flat angles C4'-P-C4' energy: -54.014
flat angles P-C4'-P energy: -35.848
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: 5, replica: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -808.182480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.182480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.182480 (E_RNA)
where:
Base-Base interactions energy: -558.723
where: short stacking energy: -239.847
Base-Backbone interact. energy: 0.977
local terms energy: -250.436491
where:
bonds (distance) C4'-P energy: -44.026
bonds (distance) P-C4' energy: -46.854
flat angles C4'-P-C4' energy: -56.054
flat angles P-C4'-P energy: -36.764
tors. eta vs tors. theta energy: -66.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -791.283341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.283341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.283341 (E_RNA)
where:
Base-Base interactions energy: -537.912
where: short stacking energy: -235.175
Base-Backbone interact. energy: -1.256
local terms energy: -252.115628
where:
bonds (distance) C4'-P energy: -40.642
bonds (distance) P-C4' energy: -52.976
flat angles C4'-P-C4' energy: -51.658
flat angles P-C4'-P energy: -37.351
tors. eta vs tors. theta energy: -69.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -781.950684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.950684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.950684 (E_RNA)
where:
Base-Base interactions energy: -557.721
where: short stacking energy: -236.227
Base-Backbone interact. energy: 2.365
local terms energy: -226.595279
where:
bonds (distance) C4'-P energy: -46.164
bonds (distance) P-C4' energy: -53.035
flat angles C4'-P-C4' energy: -47.308
flat angles P-C4'-P energy: -21.985
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: 363
Temperature: 1.250000
Total energy: -759.101338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.101338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.101338 (E_RNA)
where:
Base-Base interactions energy: -512.078
where: short stacking energy: -218.389
Base-Backbone interact. energy: -0.280
local terms energy: -246.743055
where:
bonds (distance) C4'-P energy: -44.062
bonds (distance) P-C4' energy: -52.664
flat angles C4'-P-C4' energy: -52.877
flat angles P-C4'-P energy: -36.411
tors. eta vs tors. theta energy: -60.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -499.156394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.156394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.156394 (E_RNA)
where:
Base-Base interactions energy: -308.376
where: short stacking energy: -154.933
Base-Backbone interact. energy: -1.514
local terms energy: -189.266627
where:
bonds (distance) C4'-P energy: -38.507
bonds (distance) P-C4' energy: -38.828
flat angles C4'-P-C4' energy: -49.744
flat angles P-C4'-P energy: -26.340
tors. eta vs tors. theta energy: -35.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -226.727806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.727806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.727806 (E_RNA)
where:
Base-Base interactions energy: -82.568
where: short stacking energy: -55.369
Base-Backbone interact. energy: -0.190
local terms energy: -143.969088
where:
bonds (distance) C4'-P energy: -46.434
bonds (distance) P-C4' energy: -50.869
flat angles C4'-P-C4' energy: -33.517
flat angles P-C4'-P energy: -21.427
tors. eta vs tors. theta energy: 8.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -964.616606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.616606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.616606 (E_RNA)
where:
Base-Base interactions energy: -664.797
where: short stacking energy: -284.300
Base-Backbone interact. energy: -0.791
local terms energy: -299.028791
where:
bonds (distance) C4'-P energy: -51.483
bonds (distance) P-C4' energy: -55.122
flat angles C4'-P-C4' energy: -62.159
flat angles P-C4'-P energy: -47.637
tors. eta vs tors. theta energy: -82.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -929.189831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.189831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.189831 (E_RNA)
where:
Base-Base interactions energy: -635.270
where: short stacking energy: -275.995
Base-Backbone interact. energy: 2.571
local terms energy: -296.490776
where:
bonds (distance) C4'-P energy: -54.819
bonds (distance) P-C4' energy: -52.697
flat angles C4'-P-C4' energy: -58.285
flat angles P-C4'-P energy: -45.311
tors. eta vs tors. theta energy: -85.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -919.406794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.406794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.406794 (E_RNA)
where:
Base-Base interactions energy: -638.626
where: short stacking energy: -277.589
Base-Backbone interact. energy: 1.903
local terms energy: -282.683850
where:
bonds (distance) C4'-P energy: -49.834
bonds (distance) P-C4' energy: -53.609
flat angles C4'-P-C4' energy: -60.170
flat angles P-C4'-P energy: -36.338
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: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -888.881892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.881892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.881892 (E_RNA)
where:
Base-Base interactions energy: -618.435
where: short stacking energy: -255.839
Base-Backbone interact. energy: 0.774
local terms energy: -271.221539
where:
bonds (distance) C4'-P energy: -43.398
bonds (distance) P-C4' energy: -50.397
flat angles C4'-P-C4' energy: -58.462
flat angles P-C4'-P energy: -43.195
tors. eta vs tors. theta energy: -75.771
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: 5, replica: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -800.800591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.800591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.800591 (E_RNA)
where:
Base-Base interactions energy: -534.212
where: short stacking energy: -227.030
Base-Backbone interact. energy: -0.134
local terms energy: -266.454706
where:
bonds (distance) C4'-P energy: -42.129
bonds (distance) P-C4' energy: -54.719
flat angles C4'-P-C4' energy: -59.901
flat angles P-C4'-P energy: -41.023
tors. eta vs tors. theta energy: -68.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -821.727974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.727974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.727974 (E_RNA)
where:
Base-Base interactions energy: -555.508
where: short stacking energy: -244.919
Base-Backbone interact. energy: -0.957
local terms energy: -265.262867
where:
bonds (distance) C4'-P energy: -54.975
bonds (distance) P-C4' energy: -44.101
flat angles C4'-P-C4' energy: -54.000
flat angles P-C4'-P energy: -41.797
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: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -749.739720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.739720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.739720 (E_RNA)
where:
Base-Base interactions energy: -509.816
where: short stacking energy: -220.812
Base-Backbone interact. energy: -0.778
local terms energy: -239.145186
where:
bonds (distance) C4'-P energy: -45.826
bonds (distance) P-C4' energy: -52.884
flat angles C4'-P-C4' energy: -55.000
flat angles P-C4'-P energy: -34.961
tors. eta vs tors. theta energy: -50.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -766.666191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.666191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.666191 (E_RNA)
where:
Base-Base interactions energy: -541.903
where: short stacking energy: -211.421
Base-Backbone interact. energy: -1.322
local terms energy: -223.441932
where:
bonds (distance) C4'-P energy: -44.540
bonds (distance) P-C4' energy: -44.965
flat angles C4'-P-C4' energy: -42.917
flat angles P-C4'-P energy: -34.969
tors. eta vs tors. theta energy: -56.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -507.755765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.755765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.755765 (E_RNA)
where:
Base-Base interactions energy: -306.152
where: short stacking energy: -146.620
Base-Backbone interact. energy: 5.419
local terms energy: -207.023487
where:
bonds (distance) C4'-P energy: -40.373
bonds (distance) P-C4' energy: -43.345
flat angles C4'-P-C4' energy: -47.207
flat angles P-C4'-P energy: -31.525
tors. eta vs tors. theta energy: -44.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -277.621041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.621041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.621041 (E_RNA)
where:
Base-Base interactions energy: -118.689
where: short stacking energy: -74.321
Base-Backbone interact. energy: -2.832
local terms energy: -156.100519
where:
bonds (distance) C4'-P energy: -44.465
bonds (distance) P-C4' energy: -53.994
flat angles C4'-P-C4' energy: -40.087
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: 1.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -987.690112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.690112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.690112 (E_RNA)
where:
Base-Base interactions energy: -679.307
where: short stacking energy: -294.053
Base-Backbone interact. energy: -1.053
local terms energy: -307.330869
where:
bonds (distance) C4'-P energy: -57.560
bonds (distance) P-C4' energy: -62.583
flat angles C4'-P-C4' energy: -63.829
flat angles P-C4'-P energy: -41.971
tors. eta vs tors. theta energy: -81.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -920.340067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.340067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.340067 (E_RNA)
where:
Base-Base interactions energy: -630.287
where: short stacking energy: -273.259
Base-Backbone interact. energy: -1.411
local terms energy: -288.641532
where:
bonds (distance) C4'-P energy: -53.313
bonds (distance) P-C4' energy: -50.555
flat angles C4'-P-C4' energy: -59.513
flat angles P-C4'-P energy: -42.310
tors. eta vs tors. theta energy: -82.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -926.807720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.807720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.807720 (E_RNA)
where:
Base-Base interactions energy: -628.354
where: short stacking energy: -271.418
Base-Backbone interact. energy: -0.866
local terms energy: -297.587874
where:
bonds (distance) C4'-P energy: -55.877
bonds (distance) P-C4' energy: -51.593
flat angles C4'-P-C4' energy: -57.619
flat angles P-C4'-P energy: -44.353
tors. eta vs tors. theta energy: -88.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -881.773628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.773628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.773628 (E_RNA)
where:
Base-Base interactions energy: -613.254
where: short stacking energy: -253.856
Base-Backbone interact. energy: -0.286
local terms energy: -268.233820
where:
bonds (distance) C4'-P energy: -47.612
bonds (distance) P-C4' energy: -54.996
flat angles C4'-P-C4' energy: -55.486
flat angles P-C4'-P energy: -34.304
tors. eta vs tors. theta energy: -75.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -801.417543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.417543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.417543 (E_RNA)
where:
Base-Base interactions energy: -550.394
where: short stacking energy: -232.537
Base-Backbone interact. energy: -0.545
local terms energy: -250.479454
where:
bonds (distance) C4'-P energy: -43.067
bonds (distance) P-C4' energy: -45.577
flat angles C4'-P-C4' energy: -56.639
flat angles P-C4'-P energy: -38.663
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: 1
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -767.757219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.757219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.757219 (E_RNA)
where:
Base-Base interactions energy: -523.949
where: short stacking energy: -238.940
Base-Backbone interact. energy: 0.853
local terms energy: -244.661404
where:
bonds (distance) C4'-P energy: -54.288
bonds (distance) P-C4' energy: -34.182
flat angles C4'-P-C4' energy: -54.525
flat angles P-C4'-P energy: -37.763
tors. eta vs tors. theta energy: -63.904
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: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -741.828307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.828307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.828307 (E_RNA)
where:
Base-Base interactions energy: -498.324
where: short stacking energy: -204.262
Base-Backbone interact. energy: -0.873
local terms energy: -242.631951
where:
bonds (distance) C4'-P energy: -49.937
bonds (distance) P-C4' energy: -53.000
flat angles C4'-P-C4' energy: -48.097
flat angles P-C4'-P energy: -36.128
tors. eta vs tors. theta energy: -55.470
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: 365
Temperature: 1.250000
Total energy: -764.432004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.432004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.432004 (E_RNA)
where:
Base-Base interactions energy: -532.600
where: short stacking energy: -221.208
Base-Backbone interact. energy: 0.190
local terms energy: -232.021853
where:
bonds (distance) C4'-P energy: -44.285
bonds (distance) P-C4' energy: -47.514
flat angles C4'-P-C4' energy: -48.888
flat angles P-C4'-P energy: -33.559
tors. eta vs tors. theta energy: -57.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -525.218462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.218462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.218462 (E_RNA)
where:
Base-Base interactions energy: -334.649
where: short stacking energy: -157.347
Base-Backbone interact. energy: 0.249
local terms energy: -190.818754
where:
bonds (distance) C4'-P energy: -51.010
bonds (distance) P-C4' energy: -34.211
flat angles C4'-P-C4' energy: -44.789
flat angles P-C4'-P energy: -19.767
tors. eta vs tors. theta energy: -41.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -277.444407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.444407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.444407 (E_RNA)
where:
Base-Base interactions energy: -130.749
where: short stacking energy: -72.196
Base-Backbone interact. energy: 0.420
local terms energy: -147.116292
where:
bonds (distance) C4'-P energy: -46.159
bonds (distance) P-C4' energy: -47.091
flat angles C4'-P-C4' energy: -35.307
flat angles P-C4'-P energy: -20.745
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: 366
Temperature: 0.900000
Total energy: -965.398400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.398400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.398400 (E_RNA)
where:
Base-Base interactions energy: -681.719
where: short stacking energy: -297.125
Base-Backbone interact. energy: 0.311
local terms energy: -283.990202
where:
bonds (distance) C4'-P energy: -52.246
bonds (distance) P-C4' energy: -45.305
flat angles C4'-P-C4' energy: -55.925
flat angles P-C4'-P energy: -43.936
tors. eta vs tors. theta energy: -86.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -918.026989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.026989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.026989 (E_RNA)
where:
Base-Base interactions energy: -639.428
where: short stacking energy: -272.228
Base-Backbone interact. energy: -0.378
local terms energy: -278.220725
where:
bonds (distance) C4'-P energy: -60.362
bonds (distance) P-C4' energy: -45.628
flat angles C4'-P-C4' energy: -56.913
flat angles P-C4'-P energy: -37.577
tors. eta vs tors. theta energy: -77.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -922.584742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.584742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.584742 (E_RNA)
where:
Base-Base interactions energy: -655.882
where: short stacking energy: -286.176
Base-Backbone interact. energy: 0.100
local terms energy: -266.802500
where:
bonds (distance) C4'-P energy: -51.317
bonds (distance) P-C4' energy: -42.198
flat angles C4'-P-C4' energy: -56.923
flat angles P-C4'-P energy: -39.925
tors. eta vs tors. theta energy: -76.439
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: 3
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -912.338026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.338026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.338026 (E_RNA)
where:
Base-Base interactions energy: -629.713
where: short stacking energy: -278.650
Base-Backbone interact. energy: -1.870
local terms energy: -280.755020
where:
bonds (distance) C4'-P energy: -46.182
bonds (distance) P-C4' energy: -39.433
flat angles C4'-P-C4' energy: -59.704
flat angles P-C4'-P energy: -50.656
tors. eta vs tors. theta energy: -84.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -791.568250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.568250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.568250 (E_RNA)
where:
Base-Base interactions energy: -548.269
where: short stacking energy: -232.028
Base-Backbone interact. energy: 0.918
local terms energy: -244.217074
where:
bonds (distance) C4'-P energy: -43.597
bonds (distance) P-C4' energy: -45.014
flat angles C4'-P-C4' energy: -56.401
flat angles P-C4'-P energy: -40.724
tors. eta vs tors. theta energy: -58.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -772.194902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.194902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.194902 (E_RNA)
where:
Base-Base interactions energy: -540.045
where: short stacking energy: -246.591
Base-Backbone interact. energy: -1.456
local terms energy: -230.694646
where:
bonds (distance) C4'-P energy: -47.961
bonds (distance) P-C4' energy: -40.101
flat angles C4'-P-C4' energy: -46.744
flat angles P-C4'-P energy: -35.738
tors. eta vs tors. theta energy: -60.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -773.199213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.199213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.199213 (E_RNA)
where:
Base-Base interactions energy: -510.666
where: short stacking energy: -211.757
Base-Backbone interact. energy: -2.907
local terms energy: -259.626117
where:
bonds (distance) C4'-P energy: -49.027
bonds (distance) P-C4' energy: -49.631
flat angles C4'-P-C4' energy: -59.247
flat angles P-C4'-P energy: -33.934
tors. eta vs tors. theta energy: -67.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -716.483241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.483241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.483241 (E_RNA)
where:
Base-Base interactions energy: -486.458
where: short stacking energy: -206.855
Base-Backbone interact. energy: -0.424
local terms energy: -229.600496
where:
bonds (distance) C4'-P energy: -41.218
bonds (distance) P-C4' energy: -48.049
flat angles C4'-P-C4' energy: -56.936
flat angles P-C4'-P energy: -22.014
tors. eta vs tors. theta energy: -61.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -523.036170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.036170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.036170 (E_RNA)
where:
Base-Base interactions energy: -340.503
where: short stacking energy: -163.545
Base-Backbone interact. energy: -0.567
local terms energy: -181.965825
where:
bonds (distance) C4'-P energy: -35.010
bonds (distance) P-C4' energy: -40.088
flat angles C4'-P-C4' energy: -41.169
flat angles P-C4'-P energy: -30.386
tors. eta vs tors. theta energy: -35.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -216.234421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.234421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.234421 (E_RNA)
where:
Base-Base interactions energy: -72.694
where: short stacking energy: -53.749
Base-Backbone interact. energy: -0.260
local terms energy: -143.280861
where:
bonds (distance) C4'-P energy: -37.796
bonds (distance) P-C4' energy: -35.923
flat angles C4'-P-C4' energy: -41.669
flat angles P-C4'-P energy: -30.831
tors. eta vs tors. theta energy: 2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -966.186855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.186855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.186855 (E_RNA)
where:
Base-Base interactions energy: -671.968
where: short stacking energy: -291.974
Base-Backbone interact. energy: -0.324
local terms energy: -293.894763
where:
bonds (distance) C4'-P energy: -51.997
bonds (distance) P-C4' energy: -56.204
flat angles C4'-P-C4' energy: -54.645
flat angles P-C4'-P energy: -43.454
tors. eta vs tors. theta energy: -87.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -953.952136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.952136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.952136 (E_RNA)
where:
Base-Base interactions energy: -658.889
where: short stacking energy: -283.068
Base-Backbone interact. energy: -1.037
local terms energy: -294.025838
where:
bonds (distance) C4'-P energy: -51.542
bonds (distance) P-C4' energy: -56.390
flat angles C4'-P-C4' energy: -62.143
flat angles P-C4'-P energy: -37.968
tors. eta vs tors. theta energy: -85.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -896.201081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.201081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.201081 (E_RNA)
where:
Base-Base interactions energy: -622.301
where: short stacking energy: -257.048
Base-Backbone interact. energy: -1.378
local terms energy: -272.522046
where:
bonds (distance) C4'-P energy: -53.234
bonds (distance) P-C4' energy: -55.225
flat angles C4'-P-C4' energy: -55.350
flat angles P-C4'-P energy: -36.929
tors. eta vs tors. theta energy: -71.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -916.075918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.075918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.075918 (E_RNA)
where:
Base-Base interactions energy: -647.794
where: short stacking energy: -282.191
Base-Backbone interact. energy: -0.352
local terms energy: -267.929929
where:
bonds (distance) C4'-P energy: -41.029
bonds (distance) P-C4' energy: -41.935
flat angles C4'-P-C4' energy: -59.421
flat angles P-C4'-P energy: -43.194
tors. eta vs tors. theta energy: -82.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -790.310435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.310435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.310435 (E_RNA)
where:
Base-Base interactions energy: -541.691
where: short stacking energy: -236.504
Base-Backbone interact. energy: -0.162
local terms energy: -248.457968
where:
bonds (distance) C4'-P energy: -36.803
bonds (distance) P-C4' energy: -58.161
flat angles C4'-P-C4' energy: -51.492
flat angles P-C4'-P energy: -37.415
tors. eta vs tors. theta energy: -64.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -797.898755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.898755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.898755 (E_RNA)
where:
Base-Base interactions energy: -560.938
where: short stacking energy: -215.386
Base-Backbone interact. energy: 0.879
local terms energy: -237.840119
where:
bonds (distance) C4'-P energy: -50.528
bonds (distance) P-C4' energy: -44.384
flat angles C4'-P-C4' energy: -45.162
flat angles P-C4'-P energy: -35.805
tors. eta vs tors. theta energy: -61.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -749.087825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.087825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.087825 (E_RNA)
where:
Base-Base interactions energy: -513.368
where: short stacking energy: -219.544
Base-Backbone interact. energy: 0.305
local terms energy: -236.024995
where:
bonds (distance) C4'-P energy: -44.074
bonds (distance) P-C4' energy: -47.538
flat angles C4'-P-C4' energy: -54.511
flat angles P-C4'-P energy: -31.820
tors. eta vs tors. theta energy: -58.082
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: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -727.593669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.593669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.593669 (E_RNA)
where:
Base-Base interactions energy: -519.560
where: short stacking energy: -217.171
Base-Backbone interact. energy: -0.414
local terms energy: -207.618928
where:
bonds (distance) C4'-P energy: -40.269
bonds (distance) P-C4' energy: -44.194
flat angles C4'-P-C4' energy: -51.391
flat angles P-C4'-P energy: -22.135
tors. eta vs tors. theta energy: -49.630
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: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -487.019361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.019361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.019361 (E_RNA)
where:
Base-Base interactions energy: -315.289
where: short stacking energy: -140.822
Base-Backbone interact. energy: 1.391
local terms energy: -173.121054
where:
bonds (distance) C4'-P energy: -26.648
bonds (distance) P-C4' energy: -48.820
flat angles C4'-P-C4' energy: -46.197
flat angles P-C4'-P energy: -22.647
tors. eta vs tors. theta energy: -28.810
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: 10, replica: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -215.409324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.409324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.409324 (E_RNA)
where:
Base-Base interactions energy: -74.146
where: short stacking energy: -54.637
Base-Backbone interact. energy: 0.572
local terms energy: -141.835064
where:
bonds (distance) C4'-P energy: -40.212
bonds (distance) P-C4' energy: -50.252
flat angles C4'-P-C4' energy: -33.015
flat angles P-C4'-P energy: -30.810
tors. eta vs tors. theta energy: 12.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -970.008757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.008757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.008757 (E_RNA)
where:
Base-Base interactions energy: -671.180
where: short stacking energy: -291.064
Base-Backbone interact. energy: -0.352
local terms energy: -298.477361
where:
bonds (distance) C4'-P energy: -54.573
bonds (distance) P-C4' energy: -46.855
flat angles C4'-P-C4' energy: -65.990
flat angles P-C4'-P energy: -44.258
tors. eta vs tors. theta energy: -86.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -946.057462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.057462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.057462 (E_RNA)
where:
Base-Base interactions energy: -646.748
where: short stacking energy: -292.909
Base-Backbone interact. energy: -1.250
local terms energy: -298.059432
where:
bonds (distance) C4'-P energy: -54.220
bonds (distance) P-C4' energy: -52.356
flat angles C4'-P-C4' energy: -58.410
flat angles P-C4'-P energy: -42.465
tors. eta vs tors. theta energy: -90.608
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: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -928.448787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.448787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.448787 (E_RNA)
where:
Base-Base interactions energy: -653.162
where: short stacking energy: -281.165
Base-Backbone interact. energy: -1.018
local terms energy: -274.268346
where:
bonds (distance) C4'-P energy: -43.418
bonds (distance) P-C4' energy: -54.442
flat angles C4'-P-C4' energy: -56.529
flat angles P-C4'-P energy: -38.892
tors. eta vs tors. theta energy: -80.988
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: 3
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -872.668509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.668509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.668509 (E_RNA)
where:
Base-Base interactions energy: -613.597
where: short stacking energy: -244.140
Base-Backbone interact. energy: -0.874
local terms energy: -258.197263
where:
bonds (distance) C4'-P energy: -47.933
bonds (distance) P-C4' energy: -46.165
flat angles C4'-P-C4' energy: -54.281
flat angles P-C4'-P energy: -39.075
tors. eta vs tors. theta energy: -70.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -828.368704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.368704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.368704 (E_RNA)
where:
Base-Base interactions energy: -574.041
where: short stacking energy: -239.564
Base-Backbone interact. energy: -2.473
local terms energy: -251.854211
where:
bonds (distance) C4'-P energy: -48.721
bonds (distance) P-C4' energy: -43.358
flat angles C4'-P-C4' energy: -59.822
flat angles P-C4'-P energy: -36.340
tors. eta vs tors. theta energy: -63.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -798.753972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.753972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.753972 (E_RNA)
where:
Base-Base interactions energy: -540.871
where: short stacking energy: -231.878
Base-Backbone interact. energy: -1.219
local terms energy: -256.664693
where:
bonds (distance) C4'-P energy: -45.285
bonds (distance) P-C4' energy: -51.725
flat angles C4'-P-C4' energy: -57.307
flat angles P-C4'-P energy: -35.353
tors. eta vs tors. theta energy: -66.995
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: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -749.138976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.138976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.138976 (E_RNA)
where:
Base-Base interactions energy: -489.679
where: short stacking energy: -204.728
Base-Backbone interact. energy: -1.876
local terms energy: -257.583648
where:
bonds (distance) C4'-P energy: -49.195
bonds (distance) P-C4' energy: -59.476
flat angles C4'-P-C4' energy: -58.548
flat angles P-C4'-P energy: -26.856
tors. eta vs tors. theta energy: -63.508
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: 368
Temperature: 1.250000
Total energy: -681.682260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.682260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.682260 (E_RNA)
where:
Base-Base interactions energy: -470.007
where: short stacking energy: -197.533
Base-Backbone interact. energy: 0.321
local terms energy: -211.996649
where:
bonds (distance) C4'-P energy: -39.313
bonds (distance) P-C4' energy: -40.672
flat angles C4'-P-C4' energy: -55.492
flat angles P-C4'-P energy: -27.642
tors. eta vs tors. theta energy: -48.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -532.121740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.121740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.121740 (E_RNA)
where:
Base-Base interactions energy: -330.170
where: short stacking energy: -160.918
Base-Backbone interact. energy: -0.514
local terms energy: -201.437882
where:
bonds (distance) C4'-P energy: -34.999
bonds (distance) P-C4' energy: -44.289
flat angles C4'-P-C4' energy: -50.833
flat angles P-C4'-P energy: -34.799
tors. eta vs tors. theta energy: -36.518
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: 10, replica: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -281.012082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.012082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.012082 (E_RNA)
where:
Base-Base interactions energy: -135.392
where: short stacking energy: -78.491
Base-Backbone interact. energy: 0.084
local terms energy: -145.704008
where:
bonds (distance) C4'-P energy: -36.285
bonds (distance) P-C4' energy: -43.318
flat angles C4'-P-C4' energy: -54.049
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: 3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -968.571978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.571978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.571978 (E_RNA)
where:
Base-Base interactions energy: -675.160
where: short stacking energy: -297.434
Base-Backbone interact. energy: -1.323
local terms energy: -292.089132
where:
bonds (distance) C4'-P energy: -52.911
bonds (distance) P-C4' energy: -48.985
flat angles C4'-P-C4' energy: -58.688
flat angles P-C4'-P energy: -40.711
tors. eta vs tors. theta energy: -90.795
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: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -940.056142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.056142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.056142 (E_RNA)
where:
Base-Base interactions energy: -661.686
where: short stacking energy: -279.297
Base-Backbone interact. energy: -1.730
local terms energy: -276.640151
where:
bonds (distance) C4'-P energy: -47.713
bonds (distance) P-C4' energy: -53.662
flat angles C4'-P-C4' energy: -57.929
flat angles P-C4'-P energy: -40.700
tors. eta vs tors. theta energy: -76.636
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: 369
Temperature: 1.000000
Total energy: -928.113118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.113118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.113118 (E_RNA)
where:
Base-Base interactions energy: -636.144
where: short stacking energy: -266.788
Base-Backbone interact. energy: 0.813
local terms energy: -292.782113
where:
bonds (distance) C4'-P energy: -54.803
bonds (distance) P-C4' energy: -59.401
flat angles C4'-P-C4' energy: -56.113
flat angles P-C4'-P energy: -39.136
tors. eta vs tors. theta energy: -83.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -883.888505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.888505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.888505 (E_RNA)
where:
Base-Base interactions energy: -613.538
where: short stacking energy: -254.614
Base-Backbone interact. energy: -1.066
local terms energy: -269.284501
where:
bonds (distance) C4'-P energy: -57.332
bonds (distance) P-C4' energy: -43.590
flat angles C4'-P-C4' energy: -48.468
flat angles P-C4'-P energy: -42.449
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: 5, replica: 3
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -860.924997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.924997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.924997 (E_RNA)
where:
Base-Base interactions energy: -608.063
where: short stacking energy: -249.514
Base-Backbone interact. energy: -1.814
local terms energy: -251.048660
where:
bonds (distance) C4'-P energy: -45.282
bonds (distance) P-C4' energy: -47.431
flat angles C4'-P-C4' energy: -52.729
flat angles P-C4'-P energy: -33.608
tors. eta vs tors. theta energy: -71.998
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: 6, replica: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -766.226178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.226178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.226178 (E_RNA)
where:
Base-Base interactions energy: -539.857
where: short stacking energy: -230.279
Base-Backbone interact. energy: -2.446
local terms energy: -223.923035
where:
bonds (distance) C4'-P energy: -50.375
bonds (distance) P-C4' energy: -42.174
flat angles C4'-P-C4' energy: -48.337
flat angles P-C4'-P energy: -24.883
tors. eta vs tors. theta energy: -58.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -744.064330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.064330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.064330 (E_RNA)
where:
Base-Base interactions energy: -505.814
where: short stacking energy: -218.814
Base-Backbone interact. energy: 1.757
local terms energy: -240.006899
where:
bonds (distance) C4'-P energy: -40.033
bonds (distance) P-C4' energy: -45.126
flat angles C4'-P-C4' energy: -51.718
flat angles P-C4'-P energy: -37.833
tors. eta vs tors. theta energy: -65.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -705.595705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.595705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.595705 (E_RNA)
where:
Base-Base interactions energy: -492.523
where: short stacking energy: -209.597
Base-Backbone interact. energy: -1.116
local terms energy: -211.957344
where:
bonds (distance) C4'-P energy: -49.627
bonds (distance) P-C4' energy: -41.881
flat angles C4'-P-C4' energy: -44.728
flat angles P-C4'-P energy: -20.251
tors. eta vs tors. theta energy: -55.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -517.783117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.783117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.783117 (E_RNA)
where:
Base-Base interactions energy: -315.319
where: short stacking energy: -143.103
Base-Backbone interact. energy: 1.865
local terms energy: -204.328287
where:
bonds (distance) C4'-P energy: -48.094
bonds (distance) P-C4' energy: -44.961
flat angles C4'-P-C4' energy: -48.658
flat angles P-C4'-P energy: -29.928
tors. eta vs tors. theta energy: -32.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -290.281118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.281118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.281118 (E_RNA)
where:
Base-Base interactions energy: -148.204
where: short stacking energy: -82.260
Base-Backbone interact. energy: 0.799
local terms energy: -142.876227
where:
bonds (distance) C4'-P energy: -52.485
bonds (distance) P-C4' energy: -43.554
flat angles C4'-P-C4' energy: -36.353
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: 8.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -969.152290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.152290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.152290 (E_RNA)
where:
Base-Base interactions energy: -673.533
where: short stacking energy: -300.565
Base-Backbone interact. energy: -0.960
local terms energy: -294.659391
where:
bonds (distance) C4'-P energy: -44.038
bonds (distance) P-C4' energy: -52.744
flat angles C4'-P-C4' energy: -63.080
flat angles P-C4'-P energy: -45.745
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: 2, replica: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -960.626599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.626599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.626599 (E_RNA)
where:
Base-Base interactions energy: -666.343
where: short stacking energy: -272.781
Base-Backbone interact. energy: -1.385
local terms energy: -292.898151
where:
bonds (distance) C4'-P energy: -54.609
bonds (distance) P-C4' energy: -50.889
flat angles C4'-P-C4' energy: -63.800
flat angles P-C4'-P energy: -42.950
tors. eta vs tors. theta energy: -80.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -920.320752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.320752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.320752 (E_RNA)
where:
Base-Base interactions energy: -639.660
where: short stacking energy: -283.855
Base-Backbone interact. energy: -1.243
local terms energy: -279.417886
where:
bonds (distance) C4'-P energy: -41.814
bonds (distance) P-C4' energy: -52.690
flat angles C4'-P-C4' energy: -62.730
flat angles P-C4'-P energy: -37.774
tors. eta vs tors. theta energy: -84.410
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: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -910.102203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.102203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.102203 (E_RNA)
where:
Base-Base interactions energy: -628.875
where: short stacking energy: -269.695
Base-Backbone interact. energy: -1.573
local terms energy: -279.654443
where:
bonds (distance) C4'-P energy: -48.895
bonds (distance) P-C4' energy: -54.760
flat angles C4'-P-C4' energy: -57.716
flat angles P-C4'-P energy: -39.602
tors. eta vs tors. theta energy: -78.681
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: 5, replica: 3
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -886.167456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.167456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.167456 (E_RNA)
where:
Base-Base interactions energy: -619.331
where: short stacking energy: -255.530
Base-Backbone interact. energy: -1.184
local terms energy: -265.653180
where:
bonds (distance) C4'-P energy: -45.447
bonds (distance) P-C4' energy: -49.211
flat angles C4'-P-C4' energy: -55.930
flat angles P-C4'-P energy: -35.163
tors. eta vs tors. theta energy: -79.903
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: 1
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -785.991219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.991219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.991219 (E_RNA)
where:
Base-Base interactions energy: -540.368
where: short stacking energy: -226.189
Base-Backbone interact. energy: 0.289
local terms energy: -245.911919
where:
bonds (distance) C4'-P energy: -39.597
bonds (distance) P-C4' energy: -45.243
flat angles C4'-P-C4' energy: -51.495
flat angles P-C4'-P energy: -40.862
tors. eta vs tors. theta energy: -68.715
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: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -734.186928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.186928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.186928 (E_RNA)
where:
Base-Base interactions energy: -517.850
where: short stacking energy: -222.176
Base-Backbone interact. energy: -0.318
local terms energy: -216.019387
where:
bonds (distance) C4'-P energy: -40.916
bonds (distance) P-C4' energy: -42.617
flat angles C4'-P-C4' energy: -43.658
flat angles P-C4'-P energy: -36.313
tors. eta vs tors. theta energy: -52.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -718.675249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.675249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.675249 (E_RNA)
where:
Base-Base interactions energy: -486.518
where: short stacking energy: -196.019
Base-Backbone interact. energy: -0.610
local terms energy: -231.547079
where:
bonds (distance) C4'-P energy: -47.872
bonds (distance) P-C4' energy: -52.479
flat angles C4'-P-C4' energy: -46.958
flat angles P-C4'-P energy: -31.269
tors. eta vs tors. theta energy: -52.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -496.002280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.002280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.002280 (E_RNA)
where:
Base-Base interactions energy: -311.267
where: short stacking energy: -142.577
Base-Backbone interact. energy: -0.496
local terms energy: -184.238619
where:
bonds (distance) C4'-P energy: -46.454
bonds (distance) P-C4' energy: -43.049
flat angles C4'-P-C4' energy: -41.916
flat angles P-C4'-P energy: -26.265
tors. eta vs tors. theta energy: -26.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -268.140517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.140517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.140517 (E_RNA)
where:
Base-Base interactions energy: -131.557
where: short stacking energy: -79.724
Base-Backbone interact. energy: 1.934
local terms energy: -138.518093
where:
bonds (distance) C4'-P energy: -41.421
bonds (distance) P-C4' energy: -37.328
flat angles C4'-P-C4' energy: -40.226
flat angles P-C4'-P energy: -22.499
tors. eta vs tors. theta energy: 2.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -988.197687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.197687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.197687 (E_RNA)
where:
Base-Base interactions energy: -696.414
where: short stacking energy: -300.703
Base-Backbone interact. energy: 2.461
local terms energy: -294.244015
where:
bonds (distance) C4'-P energy: -45.607
bonds (distance) P-C4' energy: -55.529
flat angles C4'-P-C4' energy: -59.677
flat angles P-C4'-P energy: -38.726
tors. eta vs tors. theta energy: -94.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -952.691216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.691216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.691216 (E_RNA)
where:
Base-Base interactions energy: -663.465
where: short stacking energy: -284.030
Base-Backbone interact. energy: -0.207
local terms energy: -289.019453
where:
bonds (distance) C4'-P energy: -47.665
bonds (distance) P-C4' energy: -56.032
flat angles C4'-P-C4' energy: -59.946
flat angles P-C4'-P energy: -38.195
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: 3, replica: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -925.979743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.979743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.979743 (E_RNA)
where:
Base-Base interactions energy: -658.122
where: short stacking energy: -280.910
Base-Backbone interact. energy: -0.142
local terms energy: -267.715400
where:
bonds (distance) C4'-P energy: -41.231
bonds (distance) P-C4' energy: -47.254
flat angles C4'-P-C4' energy: -53.798
flat angles P-C4'-P energy: -41.830
tors. eta vs tors. theta energy: -83.601
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: 3
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -925.464368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.464368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.464368 (E_RNA)
where:
Base-Base interactions energy: -640.890
where: short stacking energy: -274.823
Base-Backbone interact. energy: 0.149
local terms energy: -284.723739
where:
bonds (distance) C4'-P energy: -54.315
bonds (distance) P-C4' energy: -47.576
flat angles C4'-P-C4' energy: -53.118
flat angles P-C4'-P energy: -43.073
tors. eta vs tors. theta energy: -86.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -879.700067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.700067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.700067 (E_RNA)
where:
Base-Base interactions energy: -604.585
where: short stacking energy: -253.952
Base-Backbone interact. energy: -1.659
local terms energy: -273.455870
where:
bonds (distance) C4'-P energy: -51.682
bonds (distance) P-C4' energy: -50.170
flat angles C4'-P-C4' energy: -60.755
flat angles P-C4'-P energy: -34.739
tors. eta vs tors. theta energy: -76.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -791.682406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.682406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.682406 (E_RNA)
where:
Base-Base interactions energy: -551.468
where: short stacking energy: -214.091
Base-Backbone interact. energy: 2.480
local terms energy: -242.694084
where:
bonds (distance) C4'-P energy: -39.380
bonds (distance) P-C4' energy: -41.603
flat angles C4'-P-C4' energy: -55.807
flat angles P-C4'-P energy: -39.559
tors. eta vs tors. theta energy: -66.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -776.930304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.930304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.930304 (E_RNA)
where:
Base-Base interactions energy: -524.047
where: short stacking energy: -238.097
Base-Backbone interact. energy: 0.168
local terms energy: -253.051398
where:
bonds (distance) C4'-P energy: -44.912
bonds (distance) P-C4' energy: -53.090
flat angles C4'-P-C4' energy: -50.265
flat angles P-C4'-P energy: -36.135
tors. eta vs tors. theta energy: -68.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -711.727146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.727146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.727146 (E_RNA)
where:
Base-Base interactions energy: -487.850
where: short stacking energy: -201.222
Base-Backbone interact. energy: -1.484
local terms energy: -222.392538
where:
bonds (distance) C4'-P energy: -39.923
bonds (distance) P-C4' energy: -39.483
flat angles C4'-P-C4' energy: -54.345
flat angles P-C4'-P energy: -39.021
tors. eta vs tors. theta energy: -49.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -502.013480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.013480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.013480 (E_RNA)
where:
Base-Base interactions energy: -308.832
where: short stacking energy: -131.742
Base-Backbone interact. energy: -1.296
local terms energy: -191.885309
where:
bonds (distance) C4'-P energy: -47.876
bonds (distance) P-C4' energy: -51.381
flat angles C4'-P-C4' energy: -30.622
flat angles P-C4'-P energy: -25.440
tors. eta vs tors. theta energy: -36.567
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: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -278.385228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.385228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.385228 (E_RNA)
where:
Base-Base interactions energy: -120.743
where: short stacking energy: -78.102
Base-Backbone interact. energy: -0.753
local terms energy: -156.889283
where:
bonds (distance) C4'-P energy: -44.558
bonds (distance) P-C4' energy: -47.565
flat angles C4'-P-C4' energy: -39.072
flat angles P-C4'-P energy: -23.109
tors. eta vs tors. theta energy: -2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -999.426973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.426973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.426973 (E_RNA)
where:
Base-Base interactions energy: -688.698
where: short stacking energy: -302.052
Base-Backbone interact. energy: -0.154
local terms energy: -310.574990
where:
bonds (distance) C4'-P energy: -50.071
bonds (distance) P-C4' energy: -53.099
flat angles C4'-P-C4' energy: -64.724
flat angles P-C4'-P energy: -50.531
tors. eta vs tors. theta energy: -92.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -944.560911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.560911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.560911 (E_RNA)
where:
Base-Base interactions energy: -647.886
where: short stacking energy: -275.632
Base-Backbone interact. energy: -1.271
local terms energy: -295.403801
where:
bonds (distance) C4'-P energy: -55.697
bonds (distance) P-C4' energy: -50.964
flat angles C4'-P-C4' energy: -59.498
flat angles P-C4'-P energy: -44.976
tors. eta vs tors. theta energy: -84.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -940.135718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.135718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.135718 (E_RNA)
where:
Base-Base interactions energy: -653.320
where: short stacking energy: -282.708
Base-Backbone interact. energy: -1.923
local terms energy: -284.892286
where:
bonds (distance) C4'-P energy: -54.549
bonds (distance) P-C4' energy: -49.830
flat angles C4'-P-C4' energy: -59.456
flat angles P-C4'-P energy: -44.362
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: 4, replica: 3
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -910.602186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.602186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.602186 (E_RNA)
where:
Base-Base interactions energy: -618.323
where: short stacking energy: -268.401
Base-Backbone interact. energy: -1.356
local terms energy: -290.923303
where:
bonds (distance) C4'-P energy: -57.488
bonds (distance) P-C4' energy: -45.112
flat angles C4'-P-C4' energy: -62.575
flat angles P-C4'-P energy: -42.662
tors. eta vs tors. theta energy: -83.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -880.761868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.761868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.761868 (E_RNA)
where:
Base-Base interactions energy: -603.523
where: short stacking energy: -249.365
Base-Backbone interact. energy: -1.005
local terms energy: -276.234424
where:
bonds (distance) C4'-P energy: -43.798
bonds (distance) P-C4' energy: -53.359
flat angles C4'-P-C4' energy: -56.525
flat angles P-C4'-P energy: -46.863
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: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -780.216312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.216312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.216312 (E_RNA)
where:
Base-Base interactions energy: -534.827
where: short stacking energy: -226.983
Base-Backbone interact. energy: 0.216
local terms energy: -245.604901
where:
bonds (distance) C4'-P energy: -42.529
bonds (distance) P-C4' energy: -48.800
flat angles C4'-P-C4' energy: -48.367
flat angles P-C4'-P energy: -34.408
tors. eta vs tors. theta energy: -71.500
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: 7
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -744.091704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.091704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.091704 (E_RNA)
where:
Base-Base interactions energy: -517.181
where: short stacking energy: -229.688
Base-Backbone interact. energy: -0.177
local terms energy: -226.732786
where:
bonds (distance) C4'-P energy: -41.252
bonds (distance) P-C4' energy: -35.906
flat angles C4'-P-C4' energy: -54.203
flat angles P-C4'-P energy: -33.066
tors. eta vs tors. theta energy: -62.307
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: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -709.809109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.809109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.809109 (E_RNA)
where:
Base-Base interactions energy: -505.810
where: short stacking energy: -207.865
Base-Backbone interact. energy: -0.244
local terms energy: -203.754907
where:
bonds (distance) C4'-P energy: -39.860
bonds (distance) P-C4' energy: -41.935
flat angles C4'-P-C4' energy: -42.728
flat angles P-C4'-P energy: -21.104
tors. eta vs tors. theta energy: -58.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -499.933189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.933189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.933189 (E_RNA)
where:
Base-Base interactions energy: -304.948
where: short stacking energy: -140.045
Base-Backbone interact. energy: 1.865
local terms energy: -196.849733
where:
bonds (distance) C4'-P energy: -46.286
bonds (distance) P-C4' energy: -51.702
flat angles C4'-P-C4' energy: -44.392
flat angles P-C4'-P energy: -27.610
tors. eta vs tors. theta energy: -26.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -314.727276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.727276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.727276 (E_RNA)
where:
Base-Base interactions energy: -165.961
where: short stacking energy: -100.170
Base-Backbone interact. energy: -1.438
local terms energy: -147.327758
where:
bonds (distance) C4'-P energy: -38.578
bonds (distance) P-C4' energy: -42.804
flat angles C4'-P-C4' energy: -40.372
flat angles P-C4'-P energy: -21.452
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -982.156687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.156687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.156687 (E_RNA)
where:
Base-Base interactions energy: -675.299
where: short stacking energy: -287.015
Base-Backbone interact. energy: -1.196
local terms energy: -305.661799
where:
bonds (distance) C4'-P energy: -57.792
bonds (distance) P-C4' energy: -57.799
flat angles C4'-P-C4' energy: -59.820
flat angles P-C4'-P energy: -38.439
tors. eta vs tors. theta energy: -91.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -928.786052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.786052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.786052 (E_RNA)
where:
Base-Base interactions energy: -646.856
where: short stacking energy: -278.085
Base-Backbone interact. energy: -1.648
local terms energy: -280.281522
where:
bonds (distance) C4'-P energy: -48.626
bonds (distance) P-C4' energy: -39.841
flat angles C4'-P-C4' energy: -55.116
flat angles P-C4'-P energy: -49.715
tors. eta vs tors. theta energy: -86.984
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: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -942.326713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.326713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.326713 (E_RNA)
where:
Base-Base interactions energy: -649.543
where: short stacking energy: -295.498
Base-Backbone interact. energy: -0.688
local terms energy: -292.096264
where:
bonds (distance) C4'-P energy: -44.225
bonds (distance) P-C4' energy: -55.439
flat angles C4'-P-C4' energy: -62.918
flat angles P-C4'-P energy: -40.692
tors. eta vs tors. theta energy: -88.822
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: 373
Temperature: 1.050000
Total energy: -897.594884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.594884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.594884 (E_RNA)
where:
Base-Base interactions energy: -616.894
where: short stacking energy: -256.135
Base-Backbone interact. energy: 0.161
local terms energy: -280.861600
where:
bonds (distance) C4'-P energy: -49.104
bonds (distance) P-C4' energy: -51.269
flat angles C4'-P-C4' energy: -57.352
flat angles P-C4'-P energy: -46.336
tors. eta vs tors. theta energy: -76.802
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: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -873.424745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.424745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.424745 (E_RNA)
where:
Base-Base interactions energy: -605.986
where: short stacking energy: -246.843
Base-Backbone interact. energy: -1.225
local terms energy: -266.213466
where:
bonds (distance) C4'-P energy: -50.092
bonds (distance) P-C4' energy: -53.661
flat angles C4'-P-C4' energy: -57.441
flat angles P-C4'-P energy: -32.780
tors. eta vs tors. theta energy: -72.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -777.273335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.273335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.273335 (E_RNA)
where:
Base-Base interactions energy: -527.367
where: short stacking energy: -222.366
Base-Backbone interact. energy: -0.649
local terms energy: -249.258074
where:
bonds (distance) C4'-P energy: -47.348
bonds (distance) P-C4' energy: -54.214
flat angles C4'-P-C4' energy: -53.919
flat angles P-C4'-P energy: -34.693
tors. eta vs tors. theta energy: -59.084
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: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -764.799368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.799368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.799368 (E_RNA)
where:
Base-Base interactions energy: -539.140
where: short stacking energy: -219.703
Base-Backbone interact. energy: -0.455
local terms energy: -225.204163
where:
bonds (distance) C4'-P energy: -40.780
bonds (distance) P-C4' energy: -35.512
flat angles C4'-P-C4' energy: -51.087
flat angles P-C4'-P energy: -35.199
tors. eta vs tors. theta energy: -62.627
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: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -692.272940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.272940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.272940 (E_RNA)
where:
Base-Base interactions energy: -455.185
where: short stacking energy: -185.815
Base-Backbone interact. energy: -0.129
local terms energy: -236.958721
where:
bonds (distance) C4'-P energy: -47.150
bonds (distance) P-C4' energy: -53.430
flat angles C4'-P-C4' energy: -53.863
flat angles P-C4'-P energy: -37.449
tors. eta vs tors. theta energy: -45.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -504.879842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.879842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.879842 (E_RNA)
where:
Base-Base interactions energy: -328.843
where: short stacking energy: -141.723
Base-Backbone interact. energy: -1.692
local terms energy: -174.344093
where:
bonds (distance) C4'-P energy: -31.649
bonds (distance) P-C4' energy: -44.523
flat angles C4'-P-C4' energy: -42.623
flat angles P-C4'-P energy: -32.327
tors. eta vs tors. theta energy: -23.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -310.869901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.869901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.869901 (E_RNA)
where:
Base-Base interactions energy: -155.327
where: short stacking energy: -80.558
Base-Backbone interact. energy: 1.546
local terms energy: -157.088569
where:
bonds (distance) C4'-P energy: -48.332
bonds (distance) P-C4' energy: -45.982
flat angles C4'-P-C4' energy: -41.296
flat angles P-C4'-P energy: -23.419
tors. eta vs tors. theta energy: 1.941
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: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -985.056885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.056885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.056885 (E_RNA)
where:
Base-Base interactions energy: -683.309
where: short stacking energy: -300.261
Base-Backbone interact. energy: -1.756
local terms energy: -299.992138
where:
bonds (distance) C4'-P energy: -54.626
bonds (distance) P-C4' energy: -49.768
flat angles C4'-P-C4' energy: -56.548
flat angles P-C4'-P energy: -46.637
tors. eta vs tors. theta energy: -92.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -947.332473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.332473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.332473 (E_RNA)
where:
Base-Base interactions energy: -646.585
where: short stacking energy: -282.281
Base-Backbone interact. energy: -1.740
local terms energy: -299.007305
where:
bonds (distance) C4'-P energy: -52.913
bonds (distance) P-C4' energy: -53.548
flat angles C4'-P-C4' energy: -59.270
flat angles P-C4'-P energy: -42.190
tors. eta vs tors. theta energy: -91.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -904.621775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.621775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.621775 (E_RNA)
where:
Base-Base interactions energy: -637.432
where: short stacking energy: -277.074
Base-Backbone interact. energy: 0.273
local terms energy: -267.461934
where:
bonds (distance) C4'-P energy: -43.495
bonds (distance) P-C4' energy: -49.396
flat angles C4'-P-C4' energy: -59.433
flat angles P-C4'-P energy: -37.204
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: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -879.377701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.377701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.377701 (E_RNA)
where:
Base-Base interactions energy: -606.429
where: short stacking energy: -261.105
Base-Backbone interact. energy: -0.796
local terms energy: -272.152622
where:
bonds (distance) C4'-P energy: -48.310
bonds (distance) P-C4' energy: -47.362
flat angles C4'-P-C4' energy: -55.469
flat angles P-C4'-P energy: -41.761
tors. eta vs tors. theta energy: -79.251
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: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -884.215289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.215289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.215289 (E_RNA)
where:
Base-Base interactions energy: -612.896
where: short stacking energy: -268.873
Base-Backbone interact. energy: 3.347
local terms energy: -274.666261
where:
bonds (distance) C4'-P energy: -57.316
bonds (distance) P-C4' energy: -48.271
flat angles C4'-P-C4' energy: -52.299
flat angles P-C4'-P energy: -44.032
tors. eta vs tors. theta energy: -72.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -796.507562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.507562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.507562 (E_RNA)
where:
Base-Base interactions energy: -550.237
where: short stacking energy: -243.111
Base-Backbone interact. energy: -0.688
local terms energy: -245.582177
where:
bonds (distance) C4'-P energy: -46.440
bonds (distance) P-C4' energy: -56.119
flat angles C4'-P-C4' energy: -41.322
flat angles P-C4'-P energy: -35.385
tors. eta vs tors. theta energy: -66.316
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: 1
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -762.023938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.023938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.023938 (E_RNA)
where:
Base-Base interactions energy: -528.936
where: short stacking energy: -213.312
Base-Backbone interact. energy: -0.316
local terms energy: -232.772013
where:
bonds (distance) C4'-P energy: -46.498
bonds (distance) P-C4' energy: -55.951
flat angles C4'-P-C4' energy: -45.426
flat angles P-C4'-P energy: -32.705
tors. eta vs tors. theta energy: -52.193
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: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -702.701675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.701675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.701675 (E_RNA)
where:
Base-Base interactions energy: -474.711
where: short stacking energy: -198.739
Base-Backbone interact. energy: -0.738
local terms energy: -227.253307
where:
bonds (distance) C4'-P energy: -47.611
bonds (distance) P-C4' energy: -32.764
flat angles C4'-P-C4' energy: -52.386
flat angles P-C4'-P energy: -35.177
tors. eta vs tors. theta energy: -59.315
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: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -545.993690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.993690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.993690 (E_RNA)
where:
Base-Base interactions energy: -336.591
where: short stacking energy: -154.340
Base-Backbone interact. energy: -0.380
local terms energy: -209.023022
where:
bonds (distance) C4'-P energy: -42.966
bonds (distance) P-C4' energy: -45.191
flat angles C4'-P-C4' energy: -51.923
flat angles P-C4'-P energy: -38.046
tors. eta vs tors. theta energy: -30.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -289.944820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.944820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.944820 (E_RNA)
where:
Base-Base interactions energy: -154.415
where: short stacking energy: -88.700
Base-Backbone interact. energy: 1.291
local terms energy: -136.821384
where:
bonds (distance) C4'-P energy: -30.946
bonds (distance) P-C4' energy: -47.290
flat angles C4'-P-C4' energy: -31.706
flat angles P-C4'-P energy: -26.439
tors. eta vs tors. theta energy: -0.439
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: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -980.688663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.688663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.688663 (E_RNA)
where:
Base-Base interactions energy: -674.718
where: short stacking energy: -305.987
Base-Backbone interact. energy: -1.220
local terms energy: -304.750778
where:
bonds (distance) C4'-P energy: -54.646
bonds (distance) P-C4' energy: -51.074
flat angles C4'-P-C4' energy: -66.328
flat angles P-C4'-P energy: -39.526
tors. eta vs tors. theta energy: -93.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -952.166375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.166375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.166375 (E_RNA)
where:
Base-Base interactions energy: -650.201
where: short stacking energy: -289.739
Base-Backbone interact. energy: -1.863
local terms energy: -300.102563
where:
bonds (distance) C4'-P energy: -53.067
bonds (distance) P-C4' energy: -52.130
flat angles C4'-P-C4' energy: -58.636
flat angles P-C4'-P energy: -44.940
tors. eta vs tors. theta energy: -91.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -952.557518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.557518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.557518 (E_RNA)
where:
Base-Base interactions energy: -664.335
where: short stacking energy: -298.280
Base-Backbone interact. energy: 0.454
local terms energy: -288.676143
where:
bonds (distance) C4'-P energy: -50.075
bonds (distance) P-C4' energy: -49.506
flat angles C4'-P-C4' energy: -61.584
flat angles P-C4'-P energy: -35.787
tors. eta vs tors. theta energy: -91.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -877.940870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.940870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.940870 (E_RNA)
where:
Base-Base interactions energy: -594.726
where: short stacking energy: -250.372
Base-Backbone interact. energy: -0.373
local terms energy: -282.841920
where:
bonds (distance) C4'-P energy: -47.678
bonds (distance) P-C4' energy: -55.416
flat angles C4'-P-C4' energy: -59.196
flat angles P-C4'-P energy: -45.157
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: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -860.498596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.498596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.498596 (E_RNA)
where:
Base-Base interactions energy: -603.588
where: short stacking energy: -260.775
Base-Backbone interact. energy: -0.120
local terms energy: -256.791029
where:
bonds (distance) C4'-P energy: -42.696
bonds (distance) P-C4' energy: -50.775
flat angles C4'-P-C4' energy: -55.145
flat angles P-C4'-P energy: -28.909
tors. eta vs tors. theta energy: -79.267
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: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -767.829796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.829796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.829796 (E_RNA)
where:
Base-Base interactions energy: -533.473
where: short stacking energy: -230.933
Base-Backbone interact. energy: -0.728
local terms energy: -233.629324
where:
bonds (distance) C4'-P energy: -55.886
bonds (distance) P-C4' energy: -42.397
flat angles C4'-P-C4' energy: -46.241
flat angles P-C4'-P energy: -34.804
tors. eta vs tors. theta energy: -54.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -753.779630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.779630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.779630 (E_RNA)
where:
Base-Base interactions energy: -523.401
where: short stacking energy: -209.305
Base-Backbone interact. energy: 0.085
local terms energy: -230.463613
where:
bonds (distance) C4'-P energy: -43.079
bonds (distance) P-C4' energy: -51.427
flat angles C4'-P-C4' energy: -51.342
flat angles P-C4'-P energy: -32.762
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: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -735.421465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.421465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.421465 (E_RNA)
where:
Base-Base interactions energy: -509.680
where: short stacking energy: -206.783
Base-Backbone interact. energy: -0.998
local terms energy: -224.743577
where:
bonds (distance) C4'-P energy: -44.145
bonds (distance) P-C4' energy: -52.707
flat angles C4'-P-C4' energy: -49.585
flat angles P-C4'-P energy: -22.311
tors. eta vs tors. theta energy: -55.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -494.965156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.965156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.965156 (E_RNA)
where:
Base-Base interactions energy: -309.130
where: short stacking energy: -135.562
Base-Backbone interact. energy: -0.221
local terms energy: -185.614674
where:
bonds (distance) C4'-P energy: -31.631
bonds (distance) P-C4' energy: -44.263
flat angles C4'-P-C4' energy: -39.181
flat angles P-C4'-P energy: -36.509
tors. eta vs tors. theta energy: -34.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -276.011619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.011619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.011619 (E_RNA)
where:
Base-Base interactions energy: -125.293
where: short stacking energy: -78.156
Base-Backbone interact. energy: -2.456
local terms energy: -148.263110
where:
bonds (distance) C4'-P energy: -42.566
bonds (distance) P-C4' energy: -48.591
flat angles C4'-P-C4' energy: -37.522
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -978.074331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.074331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.074331 (E_RNA)
where:
Base-Base interactions energy: -699.751
where: short stacking energy: -303.443
Base-Backbone interact. energy: -1.943
local terms energy: -276.379890
where:
bonds (distance) C4'-P energy: -49.652
bonds (distance) P-C4' energy: -53.175
flat angles C4'-P-C4' energy: -51.354
flat angles P-C4'-P energy: -36.090
tors. eta vs tors. theta energy: -86.109
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: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -959.316587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.316587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.316587 (E_RNA)
where:
Base-Base interactions energy: -665.905
where: short stacking energy: -289.918
Base-Backbone interact. energy: 0.553
local terms energy: -293.964374
where:
bonds (distance) C4'-P energy: -53.444
bonds (distance) P-C4' energy: -50.167
flat angles C4'-P-C4' energy: -59.749
flat angles P-C4'-P energy: -40.614
tors. eta vs tors. theta energy: -89.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -922.304300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.304300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.304300 (E_RNA)
where:
Base-Base interactions energy: -640.115
where: short stacking energy: -291.007
Base-Backbone interact. energy: -1.266
local terms energy: -280.923153
where:
bonds (distance) C4'-P energy: -40.762
bonds (distance) P-C4' energy: -46.962
flat angles C4'-P-C4' energy: -58.795
flat angles P-C4'-P energy: -47.514
tors. eta vs tors. theta energy: -86.889
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: 4, replica: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -854.577880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.577880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.577880 (E_RNA)
where:
Base-Base interactions energy: -579.690
where: short stacking energy: -248.709
Base-Backbone interact. energy: -2.597
local terms energy: -272.290789
where:
bonds (distance) C4'-P energy: -48.704
bonds (distance) P-C4' energy: -51.015
flat angles C4'-P-C4' energy: -56.734
flat angles P-C4'-P energy: -45.095
tors. eta vs tors. theta energy: -70.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -876.509719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.509719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.509719 (E_RNA)
where:
Base-Base interactions energy: -617.108
where: short stacking energy: -265.522
Base-Backbone interact. energy: 1.556
local terms energy: -260.957456
where:
bonds (distance) C4'-P energy: -56.277
bonds (distance) P-C4' energy: -40.149
flat angles C4'-P-C4' energy: -54.811
flat angles P-C4'-P energy: -33.856
tors. eta vs tors. theta energy: -75.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -763.868874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.868874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.868874 (E_RNA)
where:
Base-Base interactions energy: -512.460
where: short stacking energy: -216.563
Base-Backbone interact. energy: 2.151
local terms energy: -253.559269
where:
bonds (distance) C4'-P energy: -48.726
bonds (distance) P-C4' energy: -44.754
flat angles C4'-P-C4' energy: -57.087
flat angles P-C4'-P energy: -37.601
tors. eta vs tors. theta energy: -65.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -765.070351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.070351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.070351 (E_RNA)
where:
Base-Base interactions energy: -529.500
where: short stacking energy: -231.664
Base-Backbone interact. energy: -1.427
local terms energy: -234.143229
where:
bonds (distance) C4'-P energy: -47.914
bonds (distance) P-C4' energy: -37.839
flat angles C4'-P-C4' energy: -51.035
flat angles P-C4'-P energy: -36.637
tors. eta vs tors. theta energy: -60.719
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: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -765.762139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.762139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.762139 (E_RNA)
where:
Base-Base interactions energy: -541.791
where: short stacking energy: -231.244
Base-Backbone interact. energy: -0.138
local terms energy: -223.832936
where:
bonds (distance) C4'-P energy: -34.691
bonds (distance) P-C4' energy: -34.568
flat angles C4'-P-C4' energy: -50.918
flat angles P-C4'-P energy: -39.722
tors. eta vs tors. theta energy: -63.934
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: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -497.549546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.549546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.549546 (E_RNA)
where:
Base-Base interactions energy: -304.575
where: short stacking energy: -147.249
Base-Backbone interact. energy: 0.298
local terms energy: -193.272803
where:
bonds (distance) C4'-P energy: -48.797
bonds (distance) P-C4' energy: -47.392
flat angles C4'-P-C4' energy: -35.070
flat angles P-C4'-P energy: -31.951
tors. eta vs tors. theta energy: -30.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -297.727468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.727468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.727468 (E_RNA)
where:
Base-Base interactions energy: -137.571
where: short stacking energy: -100.184
Base-Backbone interact. energy: -0.629
local terms energy: -159.526832
where:
bonds (distance) C4'-P energy: -46.873
bonds (distance) P-C4' energy: -44.720
flat angles C4'-P-C4' energy: -37.672
flat angles P-C4'-P energy: -15.746
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: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -963.910313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.910313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.910313 (E_RNA)
where:
Base-Base interactions energy: -667.230
where: short stacking energy: -293.687
Base-Backbone interact. energy: -0.900
local terms energy: -295.779960
where:
bonds (distance) C4'-P energy: -57.956
bonds (distance) P-C4' energy: -57.330
flat angles C4'-P-C4' energy: -60.836
flat angles P-C4'-P energy: -38.386
tors. eta vs tors. theta energy: -81.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -951.257587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.257587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.257587 (E_RNA)
where:
Base-Base interactions energy: -656.850
where: short stacking energy: -293.802
Base-Backbone interact. energy: -0.700
local terms energy: -293.706763
where:
bonds (distance) C4'-P energy: -60.124
bonds (distance) P-C4' energy: -47.371
flat angles C4'-P-C4' energy: -61.216
flat angles P-C4'-P energy: -39.347
tors. eta vs tors. theta energy: -85.648
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: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -928.360468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.360468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.360468 (E_RNA)
where:
Base-Base interactions energy: -654.804
where: short stacking energy: -286.359
Base-Backbone interact. energy: 0.112
local terms energy: -273.668957
where:
bonds (distance) C4'-P energy: -36.925
bonds (distance) P-C4' energy: -45.100
flat angles C4'-P-C4' energy: -59.372
flat angles P-C4'-P energy: -42.132
tors. eta vs tors. theta energy: -90.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -901.020225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.020225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.020225 (E_RNA)
where:
Base-Base interactions energy: -621.093
where: short stacking energy: -267.540
Base-Backbone interact. energy: -1.778
local terms energy: -278.150010
where:
bonds (distance) C4'-P energy: -35.797
bonds (distance) P-C4' energy: -53.650
flat angles C4'-P-C4' energy: -61.099
flat angles P-C4'-P energy: -41.382
tors. eta vs tors. theta energy: -86.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -848.788340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.788340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.788340 (E_RNA)
where:
Base-Base interactions energy: -602.794
where: short stacking energy: -256.574
Base-Backbone interact. energy: -1.884
local terms energy: -244.110506
where:
bonds (distance) C4'-P energy: -44.455
bonds (distance) P-C4' energy: -40.083
flat angles C4'-P-C4' energy: -51.156
flat angles P-C4'-P energy: -38.291
tors. eta vs tors. theta energy: -70.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -758.225032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.225032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.225032 (E_RNA)
where:
Base-Base interactions energy: -522.779
where: short stacking energy: -223.613
Base-Backbone interact. energy: -0.327
local terms energy: -235.118969
where:
bonds (distance) C4'-P energy: -38.085
bonds (distance) P-C4' energy: -50.591
flat angles C4'-P-C4' energy: -51.298
flat angles P-C4'-P energy: -31.034
tors. eta vs tors. theta energy: -64.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -752.784083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.784083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.784083 (E_RNA)
where:
Base-Base interactions energy: -520.465
where: short stacking energy: -217.994
Base-Backbone interact. energy: -0.458
local terms energy: -231.861712
where:
bonds (distance) C4'-P energy: -41.364
bonds (distance) P-C4' energy: -49.352
flat angles C4'-P-C4' energy: -39.246
flat angles P-C4'-P energy: -34.328
tors. eta vs tors. theta energy: -67.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -760.768865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.768865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.768865 (E_RNA)
where:
Base-Base interactions energy: -528.483
where: short stacking energy: -215.583
Base-Backbone interact. energy: -1.368
local terms energy: -230.917556
where:
bonds (distance) C4'-P energy: -42.109
bonds (distance) P-C4' energy: -47.056
flat angles C4'-P-C4' energy: -50.448
flat angles P-C4'-P energy: -31.245
tors. eta vs tors. theta energy: -60.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -510.599782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.599782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.599782 (E_RNA)
where:
Base-Base interactions energy: -322.292
where: short stacking energy: -154.351
Base-Backbone interact. energy: 2.719
local terms energy: -191.026541
where:
bonds (distance) C4'-P energy: -36.651
bonds (distance) P-C4' energy: -48.090
flat angles C4'-P-C4' energy: -52.635
flat angles P-C4'-P energy: -27.894
tors. eta vs tors. theta energy: -25.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -284.463223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.463223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.463223 (E_RNA)
where:
Base-Base interactions energy: -131.323
where: short stacking energy: -83.078
Base-Backbone interact. energy: -1.343
local terms energy: -151.797322
where:
bonds (distance) C4'-P energy: -41.711
bonds (distance) P-C4' energy: -43.430
flat angles C4'-P-C4' energy: -46.543
flat angles P-C4'-P energy: -28.141
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: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -959.917152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.917152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.917152 (E_RNA)
where:
Base-Base interactions energy: -667.680
where: short stacking energy: -288.005
Base-Backbone interact. energy: -1.433
local terms energy: -290.803890
where:
bonds (distance) C4'-P energy: -55.441
bonds (distance) P-C4' energy: -55.246
flat angles C4'-P-C4' energy: -52.230
flat angles P-C4'-P energy: -46.613
tors. eta vs tors. theta energy: -81.275
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: 9
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -960.199144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.199144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.199144 (E_RNA)
where:
Base-Base interactions energy: -671.018
where: short stacking energy: -290.642
Base-Backbone interact. energy: -2.018
local terms energy: -287.163004
where:
bonds (distance) C4'-P energy: -44.080
bonds (distance) P-C4' energy: -52.079
flat angles C4'-P-C4' energy: -60.671
flat angles P-C4'-P energy: -44.243
tors. eta vs tors. theta energy: -86.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -917.489826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.489826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.489826 (E_RNA)
where:
Base-Base interactions energy: -650.146
where: short stacking energy: -278.270
Base-Backbone interact. energy: -0.860
local terms energy: -266.483648
where:
bonds (distance) C4'-P energy: -50.795
bonds (distance) P-C4' energy: -50.467
flat angles C4'-P-C4' energy: -54.076
flat angles P-C4'-P energy: -27.851
tors. eta vs tors. theta energy: -83.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -893.933408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.933408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.933408 (E_RNA)
where:
Base-Base interactions energy: -633.442
where: short stacking energy: -257.077
Base-Backbone interact. energy: -0.607
local terms energy: -259.885194
where:
bonds (distance) C4'-P energy: -42.073
bonds (distance) P-C4' energy: -47.143
flat angles C4'-P-C4' energy: -44.956
flat angles P-C4'-P energy: -39.998
tors. eta vs tors. theta energy: -85.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -842.458134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.458134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.458134 (E_RNA)
where:
Base-Base interactions energy: -588.854
where: short stacking energy: -255.932
Base-Backbone interact. energy: 0.045
local terms energy: -253.649783
where:
bonds (distance) C4'-P energy: -49.973
bonds (distance) P-C4' energy: -46.364
flat angles C4'-P-C4' energy: -52.294
flat angles P-C4'-P energy: -37.921
tors. eta vs tors. theta energy: -67.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -772.666580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.666580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.666580 (E_RNA)
where:
Base-Base interactions energy: -522.565
where: short stacking energy: -224.557
Base-Backbone interact. energy: -0.337
local terms energy: -249.763839
where:
bonds (distance) C4'-P energy: -38.800
bonds (distance) P-C4' energy: -47.092
flat angles C4'-P-C4' energy: -55.045
flat angles P-C4'-P energy: -41.484
tors. eta vs tors. theta energy: -67.343
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: 7, replica: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -769.472178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.472178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.472178 (E_RNA)
where:
Base-Base interactions energy: -508.575
where: short stacking energy: -213.031
Base-Backbone interact. energy: -0.589
local terms energy: -260.308821
where:
bonds (distance) C4'-P energy: -47.905
bonds (distance) P-C4' energy: -48.434
flat angles C4'-P-C4' energy: -57.982
flat angles P-C4'-P energy: -40.718
tors. eta vs tors. theta energy: -65.268
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: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -762.467360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.467360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.467360 (E_RNA)
where:
Base-Base interactions energy: -525.748
where: short stacking energy: -220.856
Base-Backbone interact. energy: -1.271
local terms energy: -235.448070
where:
bonds (distance) C4'-P energy: -42.386
bonds (distance) P-C4' energy: -49.288
flat angles C4'-P-C4' energy: -52.806
flat angles P-C4'-P energy: -29.635
tors. eta vs tors. theta energy: -61.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -523.669050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.669050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.669050 (E_RNA)
where:
Base-Base interactions energy: -337.122
where: short stacking energy: -154.106
Base-Backbone interact. energy: 1.535
local terms energy: -188.081424
where:
bonds (distance) C4'-P energy: -37.135
bonds (distance) P-C4' energy: -40.900
flat angles C4'-P-C4' energy: -46.518
flat angles P-C4'-P energy: -34.024
tors. eta vs tors. theta energy: -29.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -284.201119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.201119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.201119 (E_RNA)
where:
Base-Base interactions energy: -144.609
where: short stacking energy: -90.821
Base-Backbone interact. energy: -2.394
local terms energy: -137.198169
where:
bonds (distance) C4'-P energy: -25.397
bonds (distance) P-C4' energy: -46.049
flat angles C4'-P-C4' energy: -37.942
flat angles P-C4'-P energy: -28.306
tors. eta vs tors. theta energy: 0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -961.333794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.333794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.333794 (E_RNA)
where:
Base-Base interactions energy: -659.794
where: short stacking energy: -306.686
Base-Backbone interact. energy: -1.391
local terms energy: -300.149303
where:
bonds (distance) C4'-P energy: -50.815
bonds (distance) P-C4' energy: -55.334
flat angles C4'-P-C4' energy: -62.644
flat angles P-C4'-P energy: -43.750
tors. eta vs tors. theta energy: -87.606
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: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -930.038574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.038574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.038574 (E_RNA)
where:
Base-Base interactions energy: -642.665
where: short stacking energy: -286.163
Base-Backbone interact. energy: -2.098
local terms energy: -285.274919
where:
bonds (distance) C4'-P energy: -44.246
bonds (distance) P-C4' energy: -49.954
flat angles C4'-P-C4' energy: -61.134
flat angles P-C4'-P energy: -43.173
tors. eta vs tors. theta energy: -86.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -939.480108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.480108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.480108 (E_RNA)
where:
Base-Base interactions energy: -644.955
where: short stacking energy: -284.471
Base-Backbone interact. energy: 0.262
local terms energy: -294.786835
where:
bonds (distance) C4'-P energy: -51.152
bonds (distance) P-C4' energy: -47.267
flat angles C4'-P-C4' energy: -62.854
flat angles P-C4'-P energy: -45.102
tors. eta vs tors. theta energy: -88.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -896.240221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.240221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.240221 (E_RNA)
where:
Base-Base interactions energy: -631.806
where: short stacking energy: -259.380
Base-Backbone interact. energy: 1.478
local terms energy: -265.912122
where:
bonds (distance) C4'-P energy: -41.481
bonds (distance) P-C4' energy: -51.242
flat angles C4'-P-C4' energy: -54.954
flat angles P-C4'-P energy: -47.199
tors. eta vs tors. theta energy: -71.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -833.395838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.395838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.395838 (E_RNA)
where:
Base-Base interactions energy: -590.247
where: short stacking energy: -247.664
Base-Backbone interact. energy: -0.804
local terms energy: -242.345345
where:
bonds (distance) C4'-P energy: -47.202
bonds (distance) P-C4' energy: -37.835
flat angles C4'-P-C4' energy: -55.744
flat angles P-C4'-P energy: -34.067
tors. eta vs tors. theta energy: -67.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -792.205505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.205505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.205505 (E_RNA)
where:
Base-Base interactions energy: -536.511
where: short stacking energy: -230.831
Base-Backbone interact. energy: -0.372
local terms energy: -255.322387
where:
bonds (distance) C4'-P energy: -45.848
bonds (distance) P-C4' energy: -51.584
flat angles C4'-P-C4' energy: -56.034
flat angles P-C4'-P energy: -36.563
tors. eta vs tors. theta energy: -65.293
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: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -764.982484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.982484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.982484 (E_RNA)
where:
Base-Base interactions energy: -521.860
where: short stacking energy: -230.372
Base-Backbone interact. energy: -0.587
local terms energy: -242.535391
where:
bonds (distance) C4'-P energy: -47.766
bonds (distance) P-C4' energy: -44.026
flat angles C4'-P-C4' energy: -48.693
flat angles P-C4'-P energy: -36.407
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: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -752.037059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.037059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.037059 (E_RNA)
where:
Base-Base interactions energy: -525.046
where: short stacking energy: -223.965
Base-Backbone interact. energy: 0.420
local terms energy: -227.411532
where:
bonds (distance) C4'-P energy: -51.966
bonds (distance) P-C4' energy: -46.293
flat angles C4'-P-C4' energy: -43.257
flat angles P-C4'-P energy: -31.959
tors. eta vs tors. theta energy: -53.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -516.313516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.313516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.313516 (E_RNA)
where:
Base-Base interactions energy: -316.094
where: short stacking energy: -154.172
Base-Backbone interact. energy: -0.551
local terms energy: -199.668459
where:
bonds (distance) C4'-P energy: -42.926
bonds (distance) P-C4' energy: -49.323
flat angles C4'-P-C4' energy: -48.651
flat angles P-C4'-P energy: -26.584
tors. eta vs tors. theta energy: -32.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -270.248452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.248452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.248452 (E_RNA)
where:
Base-Base interactions energy: -124.283
where: short stacking energy: -74.860
Base-Backbone interact. energy: -0.376
local terms energy: -145.588720
where:
bonds (distance) C4'-P energy: -47.920
bonds (distance) P-C4' energy: -43.243
flat angles C4'-P-C4' energy: -45.626
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: 8.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -972.699453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.699453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.699453 (E_RNA)
where:
Base-Base interactions energy: -659.390
where: short stacking energy: -288.188
Base-Backbone interact. energy: -1.078
local terms energy: -312.232201
where:
bonds (distance) C4'-P energy: -52.349
bonds (distance) P-C4' energy: -57.513
flat angles C4'-P-C4' energy: -67.555
flat angles P-C4'-P energy: -45.476
tors. eta vs tors. theta energy: -89.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -931.967940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.967940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.967940 (E_RNA)
where:
Base-Base interactions energy: -640.996
where: short stacking energy: -289.576
Base-Backbone interact. energy: -2.026
local terms energy: -288.945577
where:
bonds (distance) C4'-P energy: -51.667
bonds (distance) P-C4' energy: -43.073
flat angles C4'-P-C4' energy: -61.273
flat angles P-C4'-P energy: -46.864
tors. eta vs tors. theta energy: -86.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -929.840645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.840645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.840645 (E_RNA)
where:
Base-Base interactions energy: -645.499
where: short stacking energy: -273.169
Base-Backbone interact. energy: -0.455
local terms energy: -283.886970
where:
bonds (distance) C4'-P energy: -49.255
bonds (distance) P-C4' energy: -48.986
flat angles C4'-P-C4' energy: -66.999
flat angles P-C4'-P energy: -41.514
tors. eta vs tors. theta energy: -77.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -918.982928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.982928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.982928 (E_RNA)
where:
Base-Base interactions energy: -649.487
where: short stacking energy: -262.659
Base-Backbone interact. energy: 1.293
local terms energy: -270.788653
where:
bonds (distance) C4'-P energy: -46.770
bonds (distance) P-C4' energy: -48.139
flat angles C4'-P-C4' energy: -56.610
flat angles P-C4'-P energy: -36.782
tors. eta vs tors. theta energy: -82.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -846.146215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.146215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.146215 (E_RNA)
where:
Base-Base interactions energy: -597.622
where: short stacking energy: -262.930
Base-Backbone interact. energy: -1.275
local terms energy: -247.249291
where:
bonds (distance) C4'-P energy: -43.318
bonds (distance) P-C4' energy: -45.651
flat angles C4'-P-C4' energy: -59.167
flat angles P-C4'-P energy: -27.965
tors. eta vs tors. theta energy: -71.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -808.887947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.887947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.887947 (E_RNA)
where:
Base-Base interactions energy: -563.623
where: short stacking energy: -240.412
Base-Backbone interact. energy: -0.800
local terms energy: -244.464621
where:
bonds (distance) C4'-P energy: -42.984
bonds (distance) P-C4' energy: -53.315
flat angles C4'-P-C4' energy: -50.970
flat angles P-C4'-P energy: -25.413
tors. eta vs tors. theta energy: -71.783
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: 380
Temperature: 1.200000
Total energy: -739.451007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.451007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.451007 (E_RNA)
where:
Base-Base interactions energy: -490.625
where: short stacking energy: -204.226
Base-Backbone interact. energy: -0.894
local terms energy: -247.931901
where:
bonds (distance) C4'-P energy: -48.498
bonds (distance) P-C4' energy: -43.985
flat angles C4'-P-C4' energy: -56.106
flat angles P-C4'-P energy: -39.968
tors. eta vs tors. theta energy: -59.375
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: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -744.571291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.571291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.571291 (E_RNA)
where:
Base-Base interactions energy: -509.774
where: short stacking energy: -198.811
Base-Backbone interact. energy: -0.536
local terms energy: -234.261831
where:
bonds (distance) C4'-P energy: -49.544
bonds (distance) P-C4' energy: -43.106
flat angles C4'-P-C4' energy: -50.029
flat angles P-C4'-P energy: -32.503
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: 9, replica: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -518.436346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.436346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.436346 (E_RNA)
where:
Base-Base interactions energy: -312.561
where: short stacking energy: -151.220
Base-Backbone interact. energy: -0.689
local terms energy: -205.186031
where:
bonds (distance) C4'-P energy: -47.099
bonds (distance) P-C4' energy: -34.937
flat angles C4'-P-C4' energy: -50.044
flat angles P-C4'-P energy: -30.752
tors. eta vs tors. theta energy: -42.354
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: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -286.484144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.484144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.484144 (E_RNA)
where:
Base-Base interactions energy: -143.683
where: short stacking energy: -82.325
Base-Backbone interact. energy: -2.285
local terms energy: -140.516464
where:
bonds (distance) C4'-P energy: -41.543
bonds (distance) P-C4' energy: -49.180
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -26.469
tors. eta vs tors. theta energy: 0.051
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: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -979.716823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.716823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.716823 (E_RNA)
where:
Base-Base interactions energy: -685.174
where: short stacking energy: -298.243
Base-Backbone interact. energy: -0.200
local terms energy: -294.342790
where:
bonds (distance) C4'-P energy: -56.923
bonds (distance) P-C4' energy: -46.732
flat angles C4'-P-C4' energy: -60.985
flat angles P-C4'-P energy: -42.751
tors. eta vs tors. theta energy: -86.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -954.046189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.046189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.046189 (E_RNA)
where:
Base-Base interactions energy: -667.600
where: short stacking energy: -287.779
Base-Backbone interact. energy: -2.204
local terms energy: -284.241876
where:
bonds (distance) C4'-P energy: -50.439
bonds (distance) P-C4' energy: -52.939
flat angles C4'-P-C4' energy: -56.513
flat angles P-C4'-P energy: -42.616
tors. eta vs tors. theta energy: -81.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -923.925944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.925944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.925944 (E_RNA)
where:
Base-Base interactions energy: -632.542
where: short stacking energy: -270.766
Base-Backbone interact. energy: -0.637
local terms energy: -290.746467
where:
bonds (distance) C4'-P energy: -39.124
bonds (distance) P-C4' energy: -54.379
flat angles C4'-P-C4' energy: -61.722
flat angles P-C4'-P energy: -44.601
tors. eta vs tors. theta energy: -90.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -904.691222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.691222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.691222 (E_RNA)
where:
Base-Base interactions energy: -628.274
where: short stacking energy: -266.004
Base-Backbone interact. energy: -1.509
local terms energy: -274.908322
where:
bonds (distance) C4'-P energy: -39.940
bonds (distance) P-C4' energy: -54.327
flat angles C4'-P-C4' energy: -56.166
flat angles P-C4'-P energy: -38.201
tors. eta vs tors. theta energy: -86.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -841.150581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.150581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.150581 (E_RNA)
where:
Base-Base interactions energy: -581.916
where: short stacking energy: -251.861
Base-Backbone interact. energy: 0.286
local terms energy: -259.520434
where:
bonds (distance) C4'-P energy: -41.890
bonds (distance) P-C4' energy: -45.970
flat angles C4'-P-C4' energy: -52.401
flat angles P-C4'-P energy: -41.434
tors. eta vs tors. theta energy: -77.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -770.842440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.842440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.842440 (E_RNA)
where:
Base-Base interactions energy: -523.679
where: short stacking energy: -211.165
Base-Backbone interact. energy: -1.493
local terms energy: -245.670452
where:
bonds (distance) C4'-P energy: -49.750
bonds (distance) P-C4' energy: -50.776
flat angles C4'-P-C4' energy: -52.593
flat angles P-C4'-P energy: -34.840
tors. eta vs tors. theta energy: -57.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -761.187535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.187535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.187535 (E_RNA)
where:
Base-Base interactions energy: -533.935
where: short stacking energy: -217.029
Base-Backbone interact. energy: -0.055
local terms energy: -227.197447
where:
bonds (distance) C4'-P energy: -48.183
bonds (distance) P-C4' energy: -38.055
flat angles C4'-P-C4' energy: -57.210
flat angles P-C4'-P energy: -24.384
tors. eta vs tors. theta energy: -59.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -740.518461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.518461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.518461 (E_RNA)
where:
Base-Base interactions energy: -513.547
where: short stacking energy: -227.901
Base-Backbone interact. energy: -0.454
local terms energy: -226.517534
where:
bonds (distance) C4'-P energy: -38.710
bonds (distance) P-C4' energy: -38.668
flat angles C4'-P-C4' energy: -54.186
flat angles P-C4'-P energy: -37.650
tors. eta vs tors. theta energy: -57.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -526.527121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.527121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.527121 (E_RNA)
where:
Base-Base interactions energy: -320.682
where: short stacking energy: -141.942
Base-Backbone interact. energy: -1.053
local terms energy: -204.793041
where:
bonds (distance) C4'-P energy: -46.816
bonds (distance) P-C4' energy: -53.671
flat angles C4'-P-C4' energy: -42.756
flat angles P-C4'-P energy: -31.816
tors. eta vs tors. theta energy: -29.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -293.700837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.700837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.700837 (E_RNA)
where:
Base-Base interactions energy: -127.017
where: short stacking energy: -86.274
Base-Backbone interact. energy: 1.870
local terms energy: -168.553120
where:
bonds (distance) C4'-P energy: -38.206
bonds (distance) P-C4' energy: -53.369
flat angles C4'-P-C4' energy: -38.356
flat angles P-C4'-P energy: -30.845
tors. eta vs tors. theta energy: -7.777
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: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -980.533774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.533774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.533774 (E_RNA)
where:
Base-Base interactions energy: -691.097
where: short stacking energy: -292.227
Base-Backbone interact. energy: -0.275
local terms energy: -289.162196
where:
bonds (distance) C4'-P energy: -49.623
bonds (distance) P-C4' energy: -43.477
flat angles C4'-P-C4' energy: -61.637
flat angles P-C4'-P energy: -44.650
tors. eta vs tors. theta energy: -89.775
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: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -948.173355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.173355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.173355 (E_RNA)
where:
Base-Base interactions energy: -650.469
where: short stacking energy: -271.981
Base-Backbone interact. energy: -2.636
local terms energy: -295.068343
where:
bonds (distance) C4'-P energy: -52.980
bonds (distance) P-C4' energy: -55.646
flat angles C4'-P-C4' energy: -62.769
flat angles P-C4'-P energy: -39.820
tors. eta vs tors. theta energy: -83.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -938.883308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.883308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.883308 (E_RNA)
where:
Base-Base interactions energy: -638.775
where: short stacking energy: -286.928
Base-Backbone interact. energy: -0.308
local terms energy: -299.800100
where:
bonds (distance) C4'-P energy: -55.362
bonds (distance) P-C4' energy: -54.156
flat angles C4'-P-C4' energy: -59.541
flat angles P-C4'-P energy: -40.337
tors. eta vs tors. theta energy: -90.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -909.536370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.536370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.536370 (E_RNA)
where:
Base-Base interactions energy: -640.571
where: short stacking energy: -271.234
Base-Backbone interact. energy: -0.210
local terms energy: -268.755477
where:
bonds (distance) C4'-P energy: -43.270
bonds (distance) P-C4' energy: -57.995
flat angles C4'-P-C4' energy: -55.121
flat angles P-C4'-P energy: -37.400
tors. eta vs tors. theta energy: -74.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -856.058109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.058109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.058109 (E_RNA)
where:
Base-Base interactions energy: -587.932
where: short stacking energy: -255.997
Base-Backbone interact. energy: -0.622
local terms energy: -267.503693
where:
bonds (distance) C4'-P energy: -51.173
bonds (distance) P-C4' energy: -51.121
flat angles C4'-P-C4' energy: -49.718
flat angles P-C4'-P energy: -40.046
tors. eta vs tors. theta energy: -75.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -751.701779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.701779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.701779 (E_RNA)
where:
Base-Base interactions energy: -507.454
where: short stacking energy: -220.108
Base-Backbone interact. energy: -0.505
local terms energy: -243.742433
where:
bonds (distance) C4'-P energy: -44.062
bonds (distance) P-C4' energy: -45.710
flat angles C4'-P-C4' energy: -48.268
flat angles P-C4'-P energy: -38.838
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: 7, replica: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -733.884952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.884952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.884952 (E_RNA)
where:
Base-Base interactions energy: -501.921
where: short stacking energy: -214.373
Base-Backbone interact. energy: 0.541
local terms energy: -232.504631
where:
bonds (distance) C4'-P energy: -45.121
bonds (distance) P-C4' energy: -35.687
flat angles C4'-P-C4' energy: -50.673
flat angles P-C4'-P energy: -35.388
tors. eta vs tors. theta energy: -65.636
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: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -746.953836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.953836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.953836 (E_RNA)
where:
Base-Base interactions energy: -526.224
where: short stacking energy: -220.640
Base-Backbone interact. energy: -0.966
local terms energy: -219.763731
where:
bonds (distance) C4'-P energy: -28.933
bonds (distance) P-C4' energy: -53.256
flat angles C4'-P-C4' energy: -39.434
flat angles P-C4'-P energy: -31.533
tors. eta vs tors. theta energy: -66.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -522.046921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.046921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.046921 (E_RNA)
where:
Base-Base interactions energy: -317.435
where: short stacking energy: -152.167
Base-Backbone interact. energy: -0.259
local terms energy: -204.353028
where:
bonds (distance) C4'-P energy: -39.481
bonds (distance) P-C4' energy: -55.378
flat angles C4'-P-C4' energy: -52.065
flat angles P-C4'-P energy: -23.781
tors. eta vs tors. theta energy: -33.647
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: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -281.413324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.413324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.413324 (E_RNA)
where:
Base-Base interactions energy: -115.059
where: short stacking energy: -79.809
Base-Backbone interact. energy: -0.284
local terms energy: -166.071227
where:
bonds (distance) C4'-P energy: -39.450
bonds (distance) P-C4' energy: -51.650
flat angles C4'-P-C4' energy: -45.723
flat angles P-C4'-P energy: -27.144
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -967.689642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.689642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.689642 (E_RNA)
where:
Base-Base interactions energy: -663.815
where: short stacking energy: -286.927
Base-Backbone interact. energy: -1.383
local terms energy: -302.492474
where:
bonds (distance) C4'-P energy: -56.485
bonds (distance) P-C4' energy: -54.185
flat angles C4'-P-C4' energy: -58.379
flat angles P-C4'-P energy: -47.173
tors. eta vs tors. theta energy: -86.271
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: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -951.427060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.427060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.427060 (E_RNA)
where:
Base-Base interactions energy: -662.532
where: short stacking energy: -282.632
Base-Backbone interact. energy: -1.152
local terms energy: -287.743526
where:
bonds (distance) C4'-P energy: -45.601
bonds (distance) P-C4' energy: -59.654
flat angles C4'-P-C4' energy: -61.267
flat angles P-C4'-P energy: -40.135
tors. eta vs tors. theta energy: -81.087
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: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -910.359993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.359993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.359993 (E_RNA)
where:
Base-Base interactions energy: -637.835
where: short stacking energy: -266.915
Base-Backbone interact. energy: -0.478
local terms energy: -272.046562
where:
bonds (distance) C4'-P energy: -47.862
bonds (distance) P-C4' energy: -43.338
flat angles C4'-P-C4' energy: -57.940
flat angles P-C4'-P energy: -38.693
tors. eta vs tors. theta energy: -84.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -906.383340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.383340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.383340 (E_RNA)
where:
Base-Base interactions energy: -635.213
where: short stacking energy: -266.313
Base-Backbone interact. energy: -1.362
local terms energy: -269.808218
where:
bonds (distance) C4'-P energy: -46.793
bonds (distance) P-C4' energy: -53.649
flat angles C4'-P-C4' energy: -51.745
flat angles P-C4'-P energy: -38.971
tors. eta vs tors. theta energy: -78.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -853.254392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.254392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.254392 (E_RNA)
where:
Base-Base interactions energy: -587.136
where: short stacking energy: -270.294
Base-Backbone interact. energy: -1.759
local terms energy: -264.359483
where:
bonds (distance) C4'-P energy: -41.235
bonds (distance) P-C4' energy: -45.856
flat angles C4'-P-C4' energy: -62.765
flat angles P-C4'-P energy: -35.488
tors. eta vs tors. theta energy: -79.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -770.378275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.378275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.378275 (E_RNA)
where:
Base-Base interactions energy: -526.501
where: short stacking energy: -226.417
Base-Backbone interact. energy: -0.157
local terms energy: -243.720492
where:
bonds (distance) C4'-P energy: -43.409
bonds (distance) P-C4' energy: -47.479
flat angles C4'-P-C4' energy: -57.389
flat angles P-C4'-P energy: -32.346
tors. eta vs tors. theta energy: -63.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -697.688315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.688315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.688315 (E_RNA)
where:
Base-Base interactions energy: -475.811
where: short stacking energy: -192.760
Base-Backbone interact. energy: 0.154
local terms energy: -222.030883
where:
bonds (distance) C4'-P energy: -48.645
bonds (distance) P-C4' energy: -50.916
flat angles C4'-P-C4' energy: -47.324
flat angles P-C4'-P energy: -28.387
tors. eta vs tors. theta energy: -46.758
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: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -713.979280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.979280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.979280 (E_RNA)
where:
Base-Base interactions energy: -486.881
where: short stacking energy: -204.457
Base-Backbone interact. energy: -1.174
local terms energy: -225.924183
where:
bonds (distance) C4'-P energy: -44.195
bonds (distance) P-C4' energy: -46.624
flat angles C4'-P-C4' energy: -55.428
flat angles P-C4'-P energy: -22.724
tors. eta vs tors. theta energy: -56.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -534.740593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.740593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.740593 (E_RNA)
where:
Base-Base interactions energy: -349.228
where: short stacking energy: -157.613
Base-Backbone interact. energy: 1.574
local terms energy: -187.086090
where:
bonds (distance) C4'-P energy: -44.853
bonds (distance) P-C4' energy: -41.089
flat angles C4'-P-C4' energy: -46.262
flat angles P-C4'-P energy: -22.815
tors. eta vs tors. theta energy: -32.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -256.783379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.783379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.783379 (E_RNA)
where:
Base-Base interactions energy: -127.725
where: short stacking energy: -70.917
Base-Backbone interact. energy: -1.162
local terms energy: -127.896054
where:
bonds (distance) C4'-P energy: -46.537
bonds (distance) P-C4' energy: -43.132
flat angles C4'-P-C4' energy: -29.520
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: 7.495
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: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -964.967711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.967711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.967711 (E_RNA)
where:
Base-Base interactions energy: -671.171
where: short stacking energy: -276.546
Base-Backbone interact. energy: -0.869
local terms energy: -292.928364
where:
bonds (distance) C4'-P energy: -52.327
bonds (distance) P-C4' energy: -49.707
flat angles C4'-P-C4' energy: -61.393
flat angles P-C4'-P energy: -40.812
tors. eta vs tors. theta energy: -88.690
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: 2, replica: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -941.841024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.841024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.841024 (E_RNA)
where:
Base-Base interactions energy: -648.721
where: short stacking energy: -284.514
Base-Backbone interact. energy: -1.731
local terms energy: -291.388662
where:
bonds (distance) C4'-P energy: -56.289
bonds (distance) P-C4' energy: -50.997
flat angles C4'-P-C4' energy: -57.648
flat angles P-C4'-P energy: -42.806
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: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -921.354531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.354531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.354531 (E_RNA)
where:
Base-Base interactions energy: -638.074
where: short stacking energy: -271.038
Base-Backbone interact. energy: -0.353
local terms energy: -282.927458
where:
bonds (distance) C4'-P energy: -43.204
bonds (distance) P-C4' energy: -54.572
flat angles C4'-P-C4' energy: -58.733
flat angles P-C4'-P energy: -39.619
tors. eta vs tors. theta energy: -86.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -895.188676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.188676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.188676 (E_RNA)
where:
Base-Base interactions energy: -639.266
where: short stacking energy: -266.138
Base-Backbone interact. energy: -0.864
local terms energy: -255.058809
where:
bonds (distance) C4'-P energy: -48.899
bonds (distance) P-C4' energy: -32.276
flat angles C4'-P-C4' energy: -57.869
flat angles P-C4'-P energy: -40.415
tors. eta vs tors. theta energy: -75.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -857.899674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.899674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.899674 (E_RNA)
where:
Base-Base interactions energy: -592.890
where: short stacking energy: -254.765
Base-Backbone interact. energy: -1.512
local terms energy: -263.497303
where:
bonds (distance) C4'-P energy: -45.071
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -60.451
flat angles P-C4'-P energy: -38.208
tors. eta vs tors. theta energy: -71.456
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: 384
Temperature: 1.150000
Total energy: -774.139110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.139110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.139110 (E_RNA)
where:
Base-Base interactions energy: -518.246
where: short stacking energy: -216.020
Base-Backbone interact. energy: -0.535
local terms energy: -255.358583
where:
bonds (distance) C4'-P energy: -51.147
bonds (distance) P-C4' energy: -45.537
flat angles C4'-P-C4' energy: -53.925
flat angles P-C4'-P energy: -36.480
tors. eta vs tors. theta energy: -68.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -756.993608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.993608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.993608 (E_RNA)
where:
Base-Base interactions energy: -515.818
where: short stacking energy: -204.237
Base-Backbone interact. energy: -0.771
local terms energy: -240.404570
where:
bonds (distance) C4'-P energy: -40.877
bonds (distance) P-C4' energy: -49.420
flat angles C4'-P-C4' energy: -53.357
flat angles P-C4'-P energy: -39.990
tors. eta vs tors. theta energy: -56.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -719.516190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.516190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.516190 (E_RNA)
where:
Base-Base interactions energy: -498.501
where: short stacking energy: -193.352
Base-Backbone interact. energy: -0.931
local terms energy: -220.084373
where:
bonds (distance) C4'-P energy: -42.502
bonds (distance) P-C4' energy: -47.313
flat angles C4'-P-C4' energy: -50.241
flat angles P-C4'-P energy: -25.316
tors. eta vs tors. theta energy: -54.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -502.026869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.026869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.026869 (E_RNA)
where:
Base-Base interactions energy: -312.798
where: short stacking energy: -150.484
Base-Backbone interact. energy: 0.191
local terms energy: -189.419843
where:
bonds (distance) C4'-P energy: -39.382
bonds (distance) P-C4' energy: -48.250
flat angles C4'-P-C4' energy: -46.359
flat angles P-C4'-P energy: -25.912
tors. eta vs tors. theta energy: -29.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -207.145067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.145067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.145067 (E_RNA)
where:
Base-Base interactions energy: -66.955
where: short stacking energy: -56.747
Base-Backbone interact. energy: 2.227
local terms energy: -142.416212
where:
bonds (distance) C4'-P energy: -44.676
bonds (distance) P-C4' energy: -41.217
flat angles C4'-P-C4' energy: -43.711
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: 6.706
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: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -965.122708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.122708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.122708 (E_RNA)
where:
Base-Base interactions energy: -662.063
where: short stacking energy: -267.057
Base-Backbone interact. energy: -0.168
local terms energy: -302.891987
where:
bonds (distance) C4'-P energy: -54.713
bonds (distance) P-C4' energy: -57.773
flat angles C4'-P-C4' energy: -60.701
flat angles P-C4'-P energy: -45.412
tors. eta vs tors. theta energy: -84.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -933.075361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.075361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.075361 (E_RNA)
where:
Base-Base interactions energy: -641.035
where: short stacking energy: -277.726
Base-Backbone interact. energy: 0.633
local terms energy: -292.673902
where:
bonds (distance) C4'-P energy: -55.641
bonds (distance) P-C4' energy: -54.510
flat angles C4'-P-C4' energy: -55.042
flat angles P-C4'-P energy: -43.018
tors. eta vs tors. theta energy: -84.463
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: 385
Temperature: 1.000000
Total energy: -907.381835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.381835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.381835 (E_RNA)
where:
Base-Base interactions energy: -635.695
where: short stacking energy: -276.604
Base-Backbone interact. energy: -1.763
local terms energy: -269.924168
where:
bonds (distance) C4'-P energy: -48.224
bonds (distance) P-C4' energy: -50.603
flat angles C4'-P-C4' energy: -49.407
flat angles P-C4'-P energy: -39.984
tors. eta vs tors. theta energy: -81.707
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: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -893.383627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.383627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.383627 (E_RNA)
where:
Base-Base interactions energy: -626.862
where: short stacking energy: -260.438
Base-Backbone interact. energy: -1.833
local terms energy: -264.688376
where:
bonds (distance) C4'-P energy: -40.271
bonds (distance) P-C4' energy: -53.256
flat angles C4'-P-C4' energy: -57.222
flat angles P-C4'-P energy: -36.741
tors. eta vs tors. theta energy: -77.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -889.659418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.659418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.659418 (E_RNA)
where:
Base-Base interactions energy: -621.948
where: short stacking energy: -261.516
Base-Backbone interact. energy: -0.409
local terms energy: -267.302883
where:
bonds (distance) C4'-P energy: -43.896
bonds (distance) P-C4' energy: -44.066
flat angles C4'-P-C4' energy: -61.252
flat angles P-C4'-P energy: -35.555
tors. eta vs tors. theta energy: -82.534
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: 1
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -764.354968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.354968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.354968 (E_RNA)
where:
Base-Base interactions energy: -527.369
where: short stacking energy: -233.791
Base-Backbone interact. energy: -0.640
local terms energy: -236.346764
where:
bonds (distance) C4'-P energy: -50.252
bonds (distance) P-C4' energy: -47.211
flat angles C4'-P-C4' energy: -46.131
flat angles P-C4'-P energy: -28.951
tors. eta vs tors. theta energy: -63.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -747.873887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.873887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.873887 (E_RNA)
where:
Base-Base interactions energy: -500.931
where: short stacking energy: -204.773
Base-Backbone interact. energy: -0.882
local terms energy: -246.060708
where:
bonds (distance) C4'-P energy: -51.361
bonds (distance) P-C4' energy: -51.242
flat angles C4'-P-C4' energy: -51.186
flat angles P-C4'-P energy: -31.893
tors. eta vs tors. theta energy: -60.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -729.561843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.561843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.561843 (E_RNA)
where:
Base-Base interactions energy: -518.059
where: short stacking energy: -228.230
Base-Backbone interact. energy: -0.245
local terms energy: -211.257634
where:
bonds (distance) C4'-P energy: -41.333
bonds (distance) P-C4' energy: -36.860
flat angles C4'-P-C4' energy: -42.646
flat angles P-C4'-P energy: -30.059
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: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -506.747395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.747395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.747395 (E_RNA)
where:
Base-Base interactions energy: -319.282
where: short stacking energy: -139.831
Base-Backbone interact. energy: -0.921
local terms energy: -186.545294
where:
bonds (distance) C4'-P energy: -55.817
bonds (distance) P-C4' energy: -37.377
flat angles C4'-P-C4' energy: -39.600
flat angles P-C4'-P energy: -23.247
tors. eta vs tors. theta energy: -30.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -243.486112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.486112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.486112 (E_RNA)
where:
Base-Base interactions energy: -98.192
where: short stacking energy: -89.220
Base-Backbone interact. energy: 4.175
local terms energy: -149.469445
where:
bonds (distance) C4'-P energy: -36.072
bonds (distance) P-C4' energy: -52.437
flat angles C4'-P-C4' energy: -41.047
flat angles P-C4'-P energy: -19.952
tors. eta vs tors. theta energy: 0.039
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: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -954.597594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.597594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.597594 (E_RNA)
where:
Base-Base interactions energy: -666.828
where: short stacking energy: -286.417
Base-Backbone interact. energy: 0.810
local terms energy: -288.579688
where:
bonds (distance) C4'-P energy: -54.884
bonds (distance) P-C4' energy: -47.887
flat angles C4'-P-C4' energy: -60.246
flat angles P-C4'-P energy: -39.801
tors. eta vs tors. theta energy: -85.762
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: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -936.475483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.475483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.475483 (E_RNA)
where:
Base-Base interactions energy: -634.356
where: short stacking energy: -284.661
Base-Backbone interact. energy: -1.246
local terms energy: -300.873737
where:
bonds (distance) C4'-P energy: -59.935
bonds (distance) P-C4' energy: -59.066
flat angles C4'-P-C4' energy: -56.494
flat angles P-C4'-P energy: -41.247
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: 3, replica: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -927.209055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.209055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.209055 (E_RNA)
where:
Base-Base interactions energy: -645.829
where: short stacking energy: -291.429
Base-Backbone interact. energy: -1.406
local terms energy: -279.973233
where:
bonds (distance) C4'-P energy: -47.107
bonds (distance) P-C4' energy: -55.122
flat angles C4'-P-C4' energy: -55.746
flat angles P-C4'-P energy: -41.699
tors. eta vs tors. theta energy: -80.299
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: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -862.114623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.114623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.114623 (E_RNA)
where:
Base-Base interactions energy: -590.438
where: short stacking energy: -257.746
Base-Backbone interact. energy: 0.150
local terms energy: -271.827235
where:
bonds (distance) C4'-P energy: -51.583
bonds (distance) P-C4' energy: -37.787
flat angles C4'-P-C4' energy: -58.342
flat angles P-C4'-P energy: -44.897
tors. eta vs tors. theta energy: -79.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -869.307586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.307586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.307586 (E_RNA)
where:
Base-Base interactions energy: -603.616
where: short stacking energy: -261.296
Base-Backbone interact. energy: -1.368
local terms energy: -264.323511
where:
bonds (distance) C4'-P energy: -46.272
bonds (distance) P-C4' energy: -55.282
flat angles C4'-P-C4' energy: -53.491
flat angles P-C4'-P energy: -26.289
tors. eta vs tors. theta energy: -82.990
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: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -773.527748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.527748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.527748 (E_RNA)
where:
Base-Base interactions energy: -520.151
where: short stacking energy: -216.483
Base-Backbone interact. energy: 1.147
local terms energy: -254.523942
where:
bonds (distance) C4'-P energy: -50.990
bonds (distance) P-C4' energy: -42.791
flat angles C4'-P-C4' energy: -51.751
flat angles P-C4'-P energy: -43.630
tors. eta vs tors. theta energy: -65.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -786.581552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.581552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.581552 (E_RNA)
where:
Base-Base interactions energy: -550.776
where: short stacking energy: -238.539
Base-Backbone interact. energy: -0.464
local terms energy: -235.340765
where:
bonds (distance) C4'-P energy: -44.050
bonds (distance) P-C4' energy: -38.812
flat angles C4'-P-C4' energy: -47.465
flat angles P-C4'-P energy: -39.605
tors. eta vs tors. theta energy: -65.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -726.613220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.613220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.613220 (E_RNA)
where:
Base-Base interactions energy: -502.107
where: short stacking energy: -203.792
Base-Backbone interact. energy: -1.385
local terms energy: -223.120589
where:
bonds (distance) C4'-P energy: -43.666
bonds (distance) P-C4' energy: -48.778
flat angles C4'-P-C4' energy: -52.669
flat angles P-C4'-P energy: -26.500
tors. eta vs tors. theta energy: -51.507
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: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -506.148953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.148953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.148953 (E_RNA)
where:
Base-Base interactions energy: -322.989
where: short stacking energy: -148.063
Base-Backbone interact. energy: -0.306
local terms energy: -182.853478
where:
bonds (distance) C4'-P energy: -32.635
bonds (distance) P-C4' energy: -38.630
flat angles C4'-P-C4' energy: -45.804
flat angles P-C4'-P energy: -34.493
tors. eta vs tors. theta energy: -31.291
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: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -233.692950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.692950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.692950 (E_RNA)
where:
Base-Base interactions energy: -106.186
where: short stacking energy: -67.388
Base-Backbone interact. energy: 0.534
local terms energy: -128.041155
where:
bonds (distance) C4'-P energy: -33.434
bonds (distance) P-C4' energy: -35.329
flat angles C4'-P-C4' energy: -33.561
flat angles P-C4'-P energy: -28.761
tors. eta vs tors. theta energy: 3.045
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: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -957.562215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.562215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.562215 (E_RNA)
where:
Base-Base interactions energy: -662.023
where: short stacking energy: -294.942
Base-Backbone interact. energy: -0.144
local terms energy: -295.395013
where:
bonds (distance) C4'-P energy: -48.478
bonds (distance) P-C4' energy: -60.076
flat angles C4'-P-C4' energy: -58.726
flat angles P-C4'-P energy: -43.448
tors. eta vs tors. theta energy: -84.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -941.508408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.508408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.508408 (E_RNA)
where:
Base-Base interactions energy: -663.469
where: short stacking energy: -276.362
Base-Backbone interact. energy: -0.119
local terms energy: -277.920222
where:
bonds (distance) C4'-P energy: -48.423
bonds (distance) P-C4' energy: -54.450
flat angles C4'-P-C4' energy: -62.641
flat angles P-C4'-P energy: -34.859
tors. eta vs tors. theta energy: -77.547
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: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -937.880478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.880478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.880478 (E_RNA)
where:
Base-Base interactions energy: -654.330
where: short stacking energy: -290.094
Base-Backbone interact. energy: -2.034
local terms energy: -281.516630
where:
bonds (distance) C4'-P energy: -48.216
bonds (distance) P-C4' energy: -43.820
flat angles C4'-P-C4' energy: -57.442
flat angles P-C4'-P energy: -45.270
tors. eta vs tors. theta energy: -86.768
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: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -931.918033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.918033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.918033 (E_RNA)
where:
Base-Base interactions energy: -643.656
where: short stacking energy: -297.246
Base-Backbone interact. energy: -0.534
local terms energy: -287.728189
where:
bonds (distance) C4'-P energy: -49.630
bonds (distance) P-C4' energy: -51.999
flat angles C4'-P-C4' energy: -60.123
flat angles P-C4'-P energy: -37.879
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: 5, replica: 3
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -862.719136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.719136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.719136 (E_RNA)
where:
Base-Base interactions energy: -591.451
where: short stacking energy: -243.207
Base-Backbone interact. energy: -1.729
local terms energy: -269.539177
where:
bonds (distance) C4'-P energy: -45.648
bonds (distance) P-C4' energy: -52.489
flat angles C4'-P-C4' energy: -55.438
flat angles P-C4'-P energy: -42.714
tors. eta vs tors. theta energy: -73.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -813.836777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.836777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.836777 (E_RNA)
where:
Base-Base interactions energy: -563.006
where: short stacking energy: -245.571
Base-Backbone interact. energy: 3.028
local terms energy: -253.858216
where:
bonds (distance) C4'-P energy: -46.905
bonds (distance) P-C4' energy: -44.076
flat angles C4'-P-C4' energy: -54.664
flat angles P-C4'-P energy: -32.556
tors. eta vs tors. theta energy: -75.658
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: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -751.368406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.368406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.368406 (E_RNA)
where:
Base-Base interactions energy: -505.031
where: short stacking energy: -216.033
Base-Backbone interact. energy: 0.838
local terms energy: -247.175379
where:
bonds (distance) C4'-P energy: -45.613
bonds (distance) P-C4' energy: -53.532
flat angles C4'-P-C4' energy: -52.057
flat angles P-C4'-P energy: -36.566
tors. eta vs tors. theta energy: -59.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -652.869296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.869296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.869296 (E_RNA)
where:
Base-Base interactions energy: -432.500
where: short stacking energy: -185.356
Base-Backbone interact. energy: -0.753
local terms energy: -219.616088
where:
bonds (distance) C4'-P energy: -49.668
bonds (distance) P-C4' energy: -46.375
flat angles C4'-P-C4' energy: -37.039
flat angles P-C4'-P energy: -35.881
tors. eta vs tors. theta energy: -50.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -525.668100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.668100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.668100 (E_RNA)
where:
Base-Base interactions energy: -331.973
where: short stacking energy: -173.008
Base-Backbone interact. energy: -0.794
local terms energy: -192.901450
where:
bonds (distance) C4'-P energy: -32.860
bonds (distance) P-C4' energy: -46.094
flat angles C4'-P-C4' energy: -43.281
flat angles P-C4'-P energy: -33.011
tors. eta vs tors. theta energy: -37.656
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: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -260.753323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.753323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.753323 (E_RNA)
where:
Base-Base interactions energy: -116.813
where: short stacking energy: -63.033
Base-Backbone interact. energy: -1.662
local terms energy: -142.277658
where:
bonds (distance) C4'-P energy: -28.677
bonds (distance) P-C4' energy: -47.523
flat angles C4'-P-C4' energy: -34.150
flat angles P-C4'-P energy: -28.983
tors. eta vs tors. theta energy: -2.944
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: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -957.286112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.286112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.286112 (E_RNA)
where:
Base-Base interactions energy: -669.218
where: short stacking energy: -294.115
Base-Backbone interact. energy: -0.933
local terms energy: -287.135418
where:
bonds (distance) C4'-P energy: -50.526
bonds (distance) P-C4' energy: -51.405
flat angles C4'-P-C4' energy: -59.035
flat angles P-C4'-P energy: -42.888
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: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -935.684762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.684762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.684762 (E_RNA)
where:
Base-Base interactions energy: -646.702
where: short stacking energy: -270.781
Base-Backbone interact. energy: -0.773
local terms energy: -288.209201
where:
bonds (distance) C4'-P energy: -51.766
bonds (distance) P-C4' energy: -48.553
flat angles C4'-P-C4' energy: -61.931
flat angles P-C4'-P energy: -43.531
tors. eta vs tors. theta energy: -82.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -938.302583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.302583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.302583 (E_RNA)
where:
Base-Base interactions energy: -666.055
where: short stacking energy: -281.819
Base-Backbone interact. energy: -0.887
local terms energy: -271.361322
where:
bonds (distance) C4'-P energy: -45.114
bonds (distance) P-C4' energy: -51.241
flat angles C4'-P-C4' energy: -57.057
flat angles P-C4'-P energy: -32.841
tors. eta vs tors. theta energy: -85.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -904.647174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.647174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.647174 (E_RNA)
where:
Base-Base interactions energy: -633.964
where: short stacking energy: -262.295
Base-Backbone interact. energy: 0.708
local terms energy: -271.391618
where:
bonds (distance) C4'-P energy: -48.642
bonds (distance) P-C4' energy: -44.568
flat angles C4'-P-C4' energy: -58.105
flat angles P-C4'-P energy: -41.130
tors. eta vs tors. theta energy: -78.947
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: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -844.352550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.352550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.352550 (E_RNA)
where:
Base-Base interactions energy: -584.902
where: short stacking energy: -246.014
Base-Backbone interact. energy: -0.147
local terms energy: -259.303192
where:
bonds (distance) C4'-P energy: -47.763
bonds (distance) P-C4' energy: -43.970
flat angles C4'-P-C4' energy: -56.692
flat angles P-C4'-P energy: -39.629
tors. eta vs tors. theta energy: -71.249
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: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -832.291383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.291383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.291383 (E_RNA)
where:
Base-Base interactions energy: -580.312
where: short stacking energy: -255.447
Base-Backbone interact. energy: 1.621
local terms energy: -253.600340
where:
bonds (distance) C4'-P energy: -41.569
bonds (distance) P-C4' energy: -49.464
flat angles C4'-P-C4' energy: -55.170
flat angles P-C4'-P energy: -31.721
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: 7, replica: 1
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -730.167030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.167030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.167030 (E_RNA)
where:
Base-Base interactions energy: -485.093
where: short stacking energy: -212.724
Base-Backbone interact. energy: -0.420
local terms energy: -244.653761
where:
bonds (distance) C4'-P energy: -48.461
bonds (distance) P-C4' energy: -50.929
flat angles C4'-P-C4' energy: -53.810
flat angles P-C4'-P energy: -36.830
tors. eta vs tors. theta energy: -54.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -697.570292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.570292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.570292 (E_RNA)
where:
Base-Base interactions energy: -461.726
where: short stacking energy: -182.352
Base-Backbone interact. energy: 1.669
local terms energy: -237.513273
where:
bonds (distance) C4'-P energy: -54.132
bonds (distance) P-C4' energy: -46.569
flat angles C4'-P-C4' energy: -51.240
flat angles P-C4'-P energy: -42.428
tors. eta vs tors. theta energy: -43.144
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: 10
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -518.603461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.603461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.603461 (E_RNA)
where:
Base-Base interactions energy: -313.623
where: short stacking energy: -141.572
Base-Backbone interact. energy: 5.842
local terms energy: -210.822280
where:
bonds (distance) C4'-P energy: -42.700
bonds (distance) P-C4' energy: -50.690
flat angles C4'-P-C4' energy: -54.862
flat angles P-C4'-P energy: -27.798
tors. eta vs tors. theta energy: -34.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -231.612788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.612788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.612788 (E_RNA)
where:
Base-Base interactions energy: -77.728
where: short stacking energy: -60.531
Base-Backbone interact. energy: 3.897
local terms energy: -157.780910
where:
bonds (distance) C4'-P energy: -42.063
bonds (distance) P-C4' energy: -50.068
flat angles C4'-P-C4' energy: -40.601
flat angles P-C4'-P energy: -27.286
tors. eta vs tors. theta energy: 2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -962.140360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.140360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.140360 (E_RNA)
where:
Base-Base interactions energy: -652.517
where: short stacking energy: -280.021
Base-Backbone interact. energy: -0.327
local terms energy: -309.296183
where:
bonds (distance) C4'-P energy: -57.940
bonds (distance) P-C4' energy: -54.928
flat angles C4'-P-C4' energy: -65.505
flat angles P-C4'-P energy: -46.536
tors. eta vs tors. theta energy: -84.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -936.693752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.693752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.693752 (E_RNA)
where:
Base-Base interactions energy: -651.951
where: short stacking energy: -272.738
Base-Backbone interact. energy: -0.766
local terms energy: -283.976354
where:
bonds (distance) C4'-P energy: -48.899
bonds (distance) P-C4' energy: -55.624
flat angles C4'-P-C4' energy: -57.065
flat angles P-C4'-P energy: -35.457
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: 3, replica: 2
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -949.798129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.798129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.798129 (E_RNA)
where:
Base-Base interactions energy: -661.723
where: short stacking energy: -282.314
Base-Backbone interact. energy: -1.656
local terms energy: -286.419130
where:
bonds (distance) C4'-P energy: -47.124
bonds (distance) P-C4' energy: -43.674
flat angles C4'-P-C4' energy: -63.802
flat angles P-C4'-P energy: -44.820
tors. eta vs tors. theta energy: -86.998
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: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -881.326174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.326174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.326174 (E_RNA)
where:
Base-Base interactions energy: -601.471
where: short stacking energy: -262.345
Base-Backbone interact. energy: -1.521
local terms energy: -278.334149
where:
bonds (distance) C4'-P energy: -43.781
bonds (distance) P-C4' energy: -54.305
flat angles C4'-P-C4' energy: -61.439
flat angles P-C4'-P energy: -42.527
tors. eta vs tors. theta energy: -76.282
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: 7
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -829.144848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.144848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.144848 (E_RNA)
where:
Base-Base interactions energy: -586.993
where: short stacking energy: -245.197
Base-Backbone interact. energy: 0.906
local terms energy: -243.057582
where:
bonds (distance) C4'-P energy: -44.858
bonds (distance) P-C4' energy: -49.620
flat angles C4'-P-C4' energy: -47.343
flat angles P-C4'-P energy: -30.016
tors. eta vs tors. theta energy: -71.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -758.421314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.421314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.421314 (E_RNA)
where:
Base-Base interactions energy: -522.283
where: short stacking energy: -213.402
Base-Backbone interact. energy: -2.431
local terms energy: -233.707704
where:
bonds (distance) C4'-P energy: -50.666
bonds (distance) P-C4' energy: -43.109
flat angles C4'-P-C4' energy: -57.131
flat angles P-C4'-P energy: -29.326
tors. eta vs tors. theta energy: -53.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -784.920490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.920490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.920490 (E_RNA)
where:
Base-Base interactions energy: -539.916
where: short stacking energy: -234.274
Base-Backbone interact. energy: -0.362
local terms energy: -244.642868
where:
bonds (distance) C4'-P energy: -48.850
bonds (distance) P-C4' energy: -39.227
flat angles C4'-P-C4' energy: -56.502
flat angles P-C4'-P energy: -33.230
tors. eta vs tors. theta energy: -66.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -658.722267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.722267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.722267 (E_RNA)
where:
Base-Base interactions energy: -452.258
where: short stacking energy: -201.525
Base-Backbone interact. energy: -1.345
local terms energy: -205.119264
where:
bonds (distance) C4'-P energy: -40.689
bonds (distance) P-C4' energy: -39.754
flat angles C4'-P-C4' energy: -44.781
flat angles P-C4'-P energy: -29.394
tors. eta vs tors. theta energy: -50.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -520.071554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.071554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.071554 (E_RNA)
where:
Base-Base interactions energy: -325.626
where: short stacking energy: -141.409
Base-Backbone interact. energy: -2.158
local terms energy: -192.287203
where:
bonds (distance) C4'-P energy: -34.366
bonds (distance) P-C4' energy: -58.274
flat angles C4'-P-C4' energy: -48.679
flat angles P-C4'-P energy: -32.046
tors. eta vs tors. theta energy: -18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -233.572825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.572825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.572825 (E_RNA)
where:
Base-Base interactions energy: -99.720
where: short stacking energy: -77.651
Base-Backbone interact. energy: -0.751
local terms energy: -133.101448
where:
bonds (distance) C4'-P energy: -42.047
bonds (distance) P-C4' energy: -42.451
flat angles C4'-P-C4' energy: -39.320
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: 5.539
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: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -956.733754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.733754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.733754 (E_RNA)
where:
Base-Base interactions energy: -655.616
where: short stacking energy: -291.436
Base-Backbone interact. energy: -0.289
local terms energy: -300.829115
where:
bonds (distance) C4'-P energy: -44.988
bonds (distance) P-C4' energy: -58.860
flat angles C4'-P-C4' energy: -60.838
flat angles P-C4'-P energy: -47.463
tors. eta vs tors. theta energy: -88.680
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: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -945.294392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.294392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.294392 (E_RNA)
where:
Base-Base interactions energy: -650.234
where: short stacking energy: -283.451
Base-Backbone interact. energy: -0.774
local terms energy: -294.287358
where:
bonds (distance) C4'-P energy: -51.445
bonds (distance) P-C4' energy: -47.342
flat angles C4'-P-C4' energy: -65.745
flat angles P-C4'-P energy: -41.829
tors. eta vs tors. theta energy: -87.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -927.304468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.304468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.304468 (E_RNA)
where:
Base-Base interactions energy: -652.589
where: short stacking energy: -278.583
Base-Backbone interact. energy: -0.209
local terms energy: -274.506790
where:
bonds (distance) C4'-P energy: -46.032
bonds (distance) P-C4' energy: -46.309
flat angles C4'-P-C4' energy: -62.261
flat angles P-C4'-P energy: -33.420
tors. eta vs tors. theta energy: -86.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -890.421058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.421058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.421058 (E_RNA)
where:
Base-Base interactions energy: -628.009
where: short stacking energy: -266.769
Base-Backbone interact. energy: -0.275
local terms energy: -262.137046
where:
bonds (distance) C4'-P energy: -38.106
bonds (distance) P-C4' energy: -51.854
flat angles C4'-P-C4' energy: -50.327
flat angles P-C4'-P energy: -40.122
tors. eta vs tors. theta energy: -81.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -842.840411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.840411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.840411 (E_RNA)
where:
Base-Base interactions energy: -569.125
where: short stacking energy: -242.797
Base-Backbone interact. energy: -2.249
local terms energy: -271.466199
where:
bonds (distance) C4'-P energy: -59.475
bonds (distance) P-C4' energy: -45.766
flat angles C4'-P-C4' energy: -56.321
flat angles P-C4'-P energy: -39.387
tors. eta vs tors. theta energy: -70.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -779.301544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.301544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.301544 (E_RNA)
where:
Base-Base interactions energy: -550.067
where: short stacking energy: -236.703
Base-Backbone interact. energy: 0.160
local terms energy: -229.393755
where:
bonds (distance) C4'-P energy: -40.006
bonds (distance) P-C4' energy: -46.827
flat angles C4'-P-C4' energy: -52.271
flat angles P-C4'-P energy: -33.039
tors. eta vs tors. theta energy: -57.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -769.438427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.438427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.438427 (E_RNA)
where:
Base-Base interactions energy: -535.843
where: short stacking energy: -234.696
Base-Backbone interact. energy: 0.705
local terms energy: -234.300129
where:
bonds (distance) C4'-P energy: -40.035
bonds (distance) P-C4' energy: -51.181
flat angles C4'-P-C4' energy: -51.665
flat angles P-C4'-P energy: -27.480
tors. eta vs tors. theta energy: -63.938
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: 6
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -659.812230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.812230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.812230 (E_RNA)
where:
Base-Base interactions energy: -433.298
where: short stacking energy: -182.445
Base-Backbone interact. energy: -1.449
local terms energy: -225.065707
where:
bonds (distance) C4'-P energy: -46.820
bonds (distance) P-C4' energy: -48.324
flat angles C4'-P-C4' energy: -42.181
flat angles P-C4'-P energy: -38.195
tors. eta vs tors. theta energy: -49.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -519.643007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.643007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.643007 (E_RNA)
where:
Base-Base interactions energy: -333.590
where: short stacking energy: -163.863
Base-Backbone interact. energy: -0.611
local terms energy: -185.441886
where:
bonds (distance) C4'-P energy: -37.329
bonds (distance) P-C4' energy: -45.228
flat angles C4'-P-C4' energy: -52.709
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -36.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -234.760234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.760234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.760234 (E_RNA)
where:
Base-Base interactions energy: -86.494
where: short stacking energy: -83.574
Base-Backbone interact. energy: 0.391
local terms energy: -148.657098
where:
bonds (distance) C4'-P energy: -40.703
bonds (distance) P-C4' energy: -41.195
flat angles C4'-P-C4' energy: -42.011
flat angles P-C4'-P energy: -28.935
tors. eta vs tors. theta energy: 4.187
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: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -962.572156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.572156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.572156 (E_RNA)
where:
Base-Base interactions energy: -659.128
where: short stacking energy: -280.254
Base-Backbone interact. energy: -0.925
local terms energy: -302.519531
where:
bonds (distance) C4'-P energy: -56.057
bonds (distance) P-C4' energy: -53.627
flat angles C4'-P-C4' energy: -57.728
flat angles P-C4'-P energy: -43.616
tors. eta vs tors. theta energy: -91.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -948.640349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.640349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.640349 (E_RNA)
where:
Base-Base interactions energy: -642.196
where: short stacking energy: -281.391
Base-Backbone interact. energy: -0.484
local terms energy: -305.960190
where:
bonds (distance) C4'-P energy: -54.166
bonds (distance) P-C4' energy: -52.885
flat angles C4'-P-C4' energy: -59.910
flat angles P-C4'-P energy: -48.538
tors. eta vs tors. theta energy: -90.461
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: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -923.888823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.888823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.888823 (E_RNA)
where:
Base-Base interactions energy: -642.153
where: short stacking energy: -269.064
Base-Backbone interact. energy: 0.278
local terms energy: -282.014414
where:
bonds (distance) C4'-P energy: -44.016
bonds (distance) P-C4' energy: -49.631
flat angles C4'-P-C4' energy: -61.577
flat angles P-C4'-P energy: -43.676
tors. eta vs tors. theta energy: -83.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -848.738996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.738996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.738996 (E_RNA)
where:
Base-Base interactions energy: -592.489
where: short stacking energy: -256.308
Base-Backbone interact. energy: 1.816
local terms energy: -258.066196
where:
bonds (distance) C4'-P energy: -51.071
bonds (distance) P-C4' energy: -49.664
flat angles C4'-P-C4' energy: -53.318
flat angles P-C4'-P energy: -35.339
tors. eta vs tors. theta energy: -68.675
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: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -883.593791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.593791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.593791 (E_RNA)
where:
Base-Base interactions energy: -596.707
where: short stacking energy: -251.468
Base-Backbone interact. energy: -2.283
local terms energy: -284.604156
where:
bonds (distance) C4'-P energy: -59.742
bonds (distance) P-C4' energy: -51.810
flat angles C4'-P-C4' energy: -53.702
flat angles P-C4'-P energy: -41.799
tors. eta vs tors. theta energy: -77.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -798.098636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.098636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.098636 (E_RNA)
where:
Base-Base interactions energy: -574.819
where: short stacking energy: -254.477
Base-Backbone interact. energy: 1.023
local terms energy: -224.302604
where:
bonds (distance) C4'-P energy: -27.089
bonds (distance) P-C4' energy: -40.479
flat angles C4'-P-C4' energy: -56.194
flat angles P-C4'-P energy: -31.039
tors. eta vs tors. theta energy: -69.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -746.486340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.486340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.486340 (E_RNA)
where:
Base-Base interactions energy: -516.915
where: short stacking energy: -222.662
Base-Backbone interact. energy: -1.257
local terms energy: -228.313767
where:
bonds (distance) C4'-P energy: -39.720
bonds (distance) P-C4' energy: -47.708
flat angles C4'-P-C4' energy: -45.668
flat angles P-C4'-P energy: -30.559
tors. eta vs tors. theta energy: -64.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -647.871305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.871305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.871305 (E_RNA)
where:
Base-Base interactions energy: -442.031
where: short stacking energy: -195.258
Base-Backbone interact. energy: -0.348
local terms energy: -205.493126
where:
bonds (distance) C4'-P energy: -42.123
bonds (distance) P-C4' energy: -36.665
flat angles C4'-P-C4' energy: -46.496
flat angles P-C4'-P energy: -34.719
tors. eta vs tors. theta energy: -45.491
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: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -520.894500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.894500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.894500 (E_RNA)
where:
Base-Base interactions energy: -320.912
where: short stacking energy: -132.385
Base-Backbone interact. energy: 0.291
local terms energy: -200.273028
where:
bonds (distance) C4'-P energy: -44.497
bonds (distance) P-C4' energy: -45.675
flat angles C4'-P-C4' energy: -44.041
flat angles P-C4'-P energy: -30.604
tors. eta vs tors. theta energy: -35.455
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: 391
Temperature: 1.350000
Total energy: -221.617239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.617239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.617239 (E_RNA)
where:
Base-Base interactions energy: -96.666
where: short stacking energy: -60.584
Base-Backbone interact. energy: -2.789
local terms energy: -122.162118
where:
bonds (distance) C4'-P energy: -41.385
bonds (distance) P-C4' energy: -39.379
flat angles C4'-P-C4' energy: -36.331
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: 12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -965.832512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.832512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.832512 (E_RNA)
where:
Base-Base interactions energy: -684.199
where: short stacking energy: -298.187
Base-Backbone interact. energy: -0.713
local terms energy: -280.920638
where:
bonds (distance) C4'-P energy: -49.036
bonds (distance) P-C4' energy: -45.830
flat angles C4'-P-C4' energy: -60.935
flat angles P-C4'-P energy: -37.127
tors. eta vs tors. theta energy: -87.993
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: 5
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -931.927249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.927249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.927249 (E_RNA)
where:
Base-Base interactions energy: -645.008
where: short stacking energy: -274.933
Base-Backbone interact. energy: -1.742
local terms energy: -285.177365
where:
bonds (distance) C4'-P energy: -49.255
bonds (distance) P-C4' energy: -54.169
flat angles C4'-P-C4' energy: -54.693
flat angles P-C4'-P energy: -41.234
tors. eta vs tors. theta energy: -85.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -919.411543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.411543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.411543 (E_RNA)
where:
Base-Base interactions energy: -645.649
where: short stacking energy: -279.772
Base-Backbone interact. energy: -1.566
local terms energy: -272.196793
where:
bonds (distance) C4'-P energy: -43.907
bonds (distance) P-C4' energy: -47.659
flat angles C4'-P-C4' energy: -59.163
flat angles P-C4'-P energy: -39.376
tors. eta vs tors. theta energy: -82.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -855.010593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.010593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.010593 (E_RNA)
where:
Base-Base interactions energy: -585.792
where: short stacking energy: -254.830
Base-Backbone interact. energy: -0.381
local terms energy: -268.838036
where:
bonds (distance) C4'-P energy: -51.546
bonds (distance) P-C4' energy: -44.643
flat angles C4'-P-C4' energy: -57.300
flat angles P-C4'-P energy: -38.469
tors. eta vs tors. theta energy: -76.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -869.519997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.519997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.519997 (E_RNA)
where:
Base-Base interactions energy: -615.090
where: short stacking energy: -265.592
Base-Backbone interact. energy: 0.700
local terms energy: -255.130574
where:
bonds (distance) C4'-P energy: -36.564
bonds (distance) P-C4' energy: -51.708
flat angles C4'-P-C4' energy: -48.490
flat angles P-C4'-P energy: -42.045
tors. eta vs tors. theta energy: -76.323
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: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -821.566906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.566906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.566906 (E_RNA)
where:
Base-Base interactions energy: -576.123
where: short stacking energy: -249.297
Base-Backbone interact. energy: 2.541
local terms energy: -247.984278
where:
bonds (distance) C4'-P energy: -52.737
bonds (distance) P-C4' energy: -44.423
flat angles C4'-P-C4' energy: -42.129
flat angles P-C4'-P energy: -35.277
tors. eta vs tors. theta energy: -73.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -731.672788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.672788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.672788 (E_RNA)
where:
Base-Base interactions energy: -510.785
where: short stacking energy: -203.561
Base-Backbone interact. energy: 2.094
local terms energy: -222.980993
where:
bonds (distance) C4'-P energy: -32.658
bonds (distance) P-C4' energy: -54.804
flat angles C4'-P-C4' energy: -46.230
flat angles P-C4'-P energy: -32.896
tors. eta vs tors. theta energy: -56.393
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: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -667.251858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.251858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.251858 (E_RNA)
where:
Base-Base interactions energy: -433.521
where: short stacking energy: -189.970
Base-Backbone interact. energy: 0.578
local terms energy: -234.308806
where:
bonds (distance) C4'-P energy: -45.098
bonds (distance) P-C4' energy: -44.751
flat angles C4'-P-C4' energy: -48.170
flat angles P-C4'-P energy: -38.647
tors. eta vs tors. theta energy: -57.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -514.729642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.729642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.729642 (E_RNA)
where:
Base-Base interactions energy: -324.745
where: short stacking energy: -151.039
Base-Backbone interact. energy: 1.537
local terms energy: -191.522077
where:
bonds (distance) C4'-P energy: -45.794
bonds (distance) P-C4' energy: -42.781
flat angles C4'-P-C4' energy: -42.857
flat angles P-C4'-P energy: -32.625
tors. eta vs tors. theta energy: -27.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -271.257292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.257292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.257292 (E_RNA)
where:
Base-Base interactions energy: -124.353
where: short stacking energy: -66.278
Base-Backbone interact. energy: -1.320
local terms energy: -145.584180
where:
bonds (distance) C4'-P energy: -31.003
bonds (distance) P-C4' energy: -47.937
flat angles C4'-P-C4' energy: -31.323
flat angles P-C4'-P energy: -30.829
tors. eta vs tors. theta energy: -4.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -975.275277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.275277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.275277 (E_RNA)
where:
Base-Base interactions energy: -682.925
where: short stacking energy: -297.368
Base-Backbone interact. energy: -1.051
local terms energy: -291.300080
where:
bonds (distance) C4'-P energy: -50.662
bonds (distance) P-C4' energy: -55.596
flat angles C4'-P-C4' energy: -58.152
flat angles P-C4'-P energy: -36.775
tors. eta vs tors. theta energy: -90.114
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: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -937.823298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.823298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.823298 (E_RNA)
where:
Base-Base interactions energy: -658.357
where: short stacking energy: -283.106
Base-Backbone interact. energy: -1.903
local terms energy: -277.563726
where:
bonds (distance) C4'-P energy: -55.502
bonds (distance) P-C4' energy: -40.548
flat angles C4'-P-C4' energy: -61.442
flat angles P-C4'-P energy: -40.443
tors. eta vs tors. theta energy: -79.629
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: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -903.069316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.069316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.069316 (E_RNA)
where:
Base-Base interactions energy: -626.119
where: short stacking energy: -274.191
Base-Backbone interact. energy: -0.622
local terms energy: -276.328885
where:
bonds (distance) C4'-P energy: -50.261
bonds (distance) P-C4' energy: -54.936
flat angles C4'-P-C4' energy: -50.164
flat angles P-C4'-P energy: -39.211
tors. eta vs tors. theta energy: -81.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -879.660119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.660119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.660119 (E_RNA)
where:
Base-Base interactions energy: -616.606
where: short stacking energy: -256.509
Base-Backbone interact. energy: -0.171
local terms energy: -262.883071
where:
bonds (distance) C4'-P energy: -42.844
bonds (distance) P-C4' energy: -51.570
flat angles C4'-P-C4' energy: -56.912
flat angles P-C4'-P energy: -33.640
tors. eta vs tors. theta energy: -77.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -827.027320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.027320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.027320 (E_RNA)
where:
Base-Base interactions energy: -574.248
where: short stacking energy: -249.998
Base-Backbone interact. energy: -0.227
local terms energy: -252.551838
where:
bonds (distance) C4'-P energy: -47.615
bonds (distance) P-C4' energy: -47.777
flat angles C4'-P-C4' energy: -58.903
flat angles P-C4'-P energy: -23.974
tors. eta vs tors. theta energy: -74.284
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: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -814.592265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.592265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.592265 (E_RNA)
where:
Base-Base interactions energy: -565.658
where: short stacking energy: -237.298
Base-Backbone interact. energy: -2.250
local terms energy: -246.685041
where:
bonds (distance) C4'-P energy: -38.064
bonds (distance) P-C4' energy: -46.506
flat angles C4'-P-C4' energy: -57.361
flat angles P-C4'-P energy: -35.765
tors. eta vs tors. theta energy: -68.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -710.843921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.843921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.843921 (E_RNA)
where:
Base-Base interactions energy: -490.547
where: short stacking energy: -209.729
Base-Backbone interact. energy: -0.719
local terms energy: -219.577987
where:
bonds (distance) C4'-P energy: -45.540
bonds (distance) P-C4' energy: -42.870
flat angles C4'-P-C4' energy: -56.456
flat angles P-C4'-P energy: -28.088
tors. eta vs tors. theta energy: -46.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -621.195225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.195225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.195225 (E_RNA)
where:
Base-Base interactions energy: -408.788
where: short stacking energy: -171.586
Base-Backbone interact. energy: -1.295
local terms energy: -211.112685
where:
bonds (distance) C4'-P energy: -42.606
bonds (distance) P-C4' energy: -43.941
flat angles C4'-P-C4' energy: -51.061
flat angles P-C4'-P energy: -32.407
tors. eta vs tors. theta energy: -41.098
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: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -533.967143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.967143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.967143 (E_RNA)
where:
Base-Base interactions energy: -331.671
where: short stacking energy: -161.645
Base-Backbone interact. energy: -0.562
local terms energy: -201.734582
where:
bonds (distance) C4'-P energy: -45.583
bonds (distance) P-C4' energy: -46.765
flat angles C4'-P-C4' energy: -45.217
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -41.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -279.488837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.488837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.488837 (E_RNA)
where:
Base-Base interactions energy: -130.294
where: short stacking energy: -81.170
Base-Backbone interact. energy: 0.873
local terms energy: -150.066877
where:
bonds (distance) C4'-P energy: -36.862
bonds (distance) P-C4' energy: -43.979
flat angles C4'-P-C4' energy: -39.101
flat angles P-C4'-P energy: -23.039
tors. eta vs tors. theta energy: -7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -968.791935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.791935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.791935 (E_RNA)
where:
Base-Base interactions energy: -668.350
where: short stacking energy: -292.015
Base-Backbone interact. energy: 0.509
local terms energy: -300.950403
where:
bonds (distance) C4'-P energy: -58.519
bonds (distance) P-C4' energy: -57.805
flat angles C4'-P-C4' energy: -59.912
flat angles P-C4'-P energy: -33.071
tors. eta vs tors. theta energy: -91.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -955.191939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.191939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.191939 (E_RNA)
where:
Base-Base interactions energy: -663.308
where: short stacking energy: -288.409
Base-Backbone interact. energy: -1.202
local terms energy: -290.681810
where:
bonds (distance) C4'-P energy: -44.391
bonds (distance) P-C4' energy: -55.954
flat angles C4'-P-C4' energy: -60.805
flat angles P-C4'-P energy: -44.450
tors. eta vs tors. theta energy: -85.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -918.109090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.109090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.109090 (E_RNA)
where:
Base-Base interactions energy: -642.488
where: short stacking energy: -281.946
Base-Backbone interact. energy: -0.920
local terms energy: -274.700209
where:
bonds (distance) C4'-P energy: -48.272
bonds (distance) P-C4' energy: -51.532
flat angles C4'-P-C4' energy: -56.711
flat angles P-C4'-P energy: -40.377
tors. eta vs tors. theta energy: -77.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -922.050508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.050508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.050508 (E_RNA)
where:
Base-Base interactions energy: -651.163
where: short stacking energy: -285.060
Base-Backbone interact. energy: -0.578
local terms energy: -270.310051
where:
bonds (distance) C4'-P energy: -43.554
bonds (distance) P-C4' energy: -49.005
flat angles C4'-P-C4' energy: -55.094
flat angles P-C4'-P energy: -38.692
tors. eta vs tors. theta energy: -83.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -841.844785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.844785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.844785 (E_RNA)
where:
Base-Base interactions energy: -581.844
where: short stacking energy: -247.602
Base-Backbone interact. energy: -0.325
local terms energy: -259.675962
where:
bonds (distance) C4'-P energy: -52.954
bonds (distance) P-C4' energy: -47.849
flat angles C4'-P-C4' energy: -54.827
flat angles P-C4'-P energy: -29.731
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: 6, replica: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -828.882833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.882833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.882833 (E_RNA)
where:
Base-Base interactions energy: -576.820
where: short stacking energy: -240.254
Base-Backbone interact. energy: -2.415
local terms energy: -249.648326
where:
bonds (distance) C4'-P energy: -44.332
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -59.822
flat angles P-C4'-P energy: -39.887
tors. eta vs tors. theta energy: -66.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -737.697726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.697726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.697726 (E_RNA)
where:
Base-Base interactions energy: -496.891
where: short stacking energy: -202.451
Base-Backbone interact. energy: -0.534
local terms energy: -240.272807
where:
bonds (distance) C4'-P energy: -42.930
bonds (distance) P-C4' energy: -44.653
flat angles C4'-P-C4' energy: -58.464
flat angles P-C4'-P energy: -32.245
tors. eta vs tors. theta energy: -61.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -646.048261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.048261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.048261 (E_RNA)
where:
Base-Base interactions energy: -443.749
where: short stacking energy: -173.177
Base-Backbone interact. energy: -1.468
local terms energy: -200.831886
where:
bonds (distance) C4'-P energy: -41.452
bonds (distance) P-C4' energy: -43.893
flat angles C4'-P-C4' energy: -56.701
flat angles P-C4'-P energy: -23.525
tors. eta vs tors. theta energy: -35.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -526.891964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.891964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.891964 (E_RNA)
where:
Base-Base interactions energy: -338.576
where: short stacking energy: -163.201
Base-Backbone interact. energy: -0.397
local terms energy: -187.918117
where:
bonds (distance) C4'-P energy: -38.328
bonds (distance) P-C4' energy: -41.271
flat angles C4'-P-C4' energy: -53.205
flat angles P-C4'-P energy: -28.934
tors. eta vs tors. theta energy: -26.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -285.241552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.241552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.241552 (E_RNA)
where:
Base-Base interactions energy: -141.739
where: short stacking energy: -59.825
Base-Backbone interact. energy: -1.477
local terms energy: -142.025815
where:
bonds (distance) C4'-P energy: -39.159
bonds (distance) P-C4' energy: -48.240
flat angles C4'-P-C4' energy: -39.993
flat angles P-C4'-P energy: -17.624
tors. eta vs tors. theta energy: 2.990
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: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -986.811046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.811046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.811046 (E_RNA)
where:
Base-Base interactions energy: -679.614
where: short stacking energy: -305.056
Base-Backbone interact. energy: -2.001
local terms energy: -305.196832
where:
bonds (distance) C4'-P energy: -53.892
bonds (distance) P-C4' energy: -51.359
flat angles C4'-P-C4' energy: -65.277
flat angles P-C4'-P energy: -44.380
tors. eta vs tors. theta energy: -90.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -941.258472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.258472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.258472 (E_RNA)
where:
Base-Base interactions energy: -661.817
where: short stacking energy: -290.243
Base-Backbone interact. energy: -0.926
local terms energy: -278.515733
where:
bonds (distance) C4'-P energy: -51.820
bonds (distance) P-C4' energy: -53.268
flat angles C4'-P-C4' energy: -56.061
flat angles P-C4'-P energy: -35.379
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: 3, replica: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -912.855459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.855459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.855459 (E_RNA)
where:
Base-Base interactions energy: -646.841
where: short stacking energy: -269.555
Base-Backbone interact. energy: -1.778
local terms energy: -264.236465
where:
bonds (distance) C4'-P energy: -41.282
bonds (distance) P-C4' energy: -49.009
flat angles C4'-P-C4' energy: -51.052
flat angles P-C4'-P energy: -37.560
tors. eta vs tors. theta energy: -85.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -917.658699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.658699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.658699 (E_RNA)
where:
Base-Base interactions energy: -634.265
where: short stacking energy: -267.346
Base-Backbone interact. energy: -0.721
local terms energy: -282.672891
where:
bonds (distance) C4'-P energy: -52.480
bonds (distance) P-C4' energy: -54.169
flat angles C4'-P-C4' energy: -60.164
flat angles P-C4'-P energy: -39.231
tors. eta vs tors. theta energy: -76.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -831.225359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.225359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.225359 (E_RNA)
where:
Base-Base interactions energy: -562.526
where: short stacking energy: -240.620
Base-Backbone interact. energy: 0.711
local terms energy: -269.409606
where:
bonds (distance) C4'-P energy: -40.794
bonds (distance) P-C4' energy: -57.194
flat angles C4'-P-C4' energy: -64.209
flat angles P-C4'-P energy: -37.552
tors. eta vs tors. theta energy: -69.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -833.347487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.347487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.347487 (E_RNA)
where:
Base-Base interactions energy: -578.591
where: short stacking energy: -253.187
Base-Backbone interact. energy: -0.562
local terms energy: -254.193951
where:
bonds (distance) C4'-P energy: -45.838
bonds (distance) P-C4' energy: -35.963
flat angles C4'-P-C4' energy: -53.371
flat angles P-C4'-P energy: -43.882
tors. eta vs tors. theta energy: -75.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -753.368631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.368631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.368631 (E_RNA)
where:
Base-Base interactions energy: -515.358
where: short stacking energy: -207.442
Base-Backbone interact. energy: -0.055
local terms energy: -237.955121
where:
bonds (distance) C4'-P energy: -45.337
bonds (distance) P-C4' energy: -51.287
flat angles C4'-P-C4' energy: -51.613
flat angles P-C4'-P energy: -34.966
tors. eta vs tors. theta energy: -54.752
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: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -654.020614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.020614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.020614 (E_RNA)
where:
Base-Base interactions energy: -424.038
where: short stacking energy: -181.642
Base-Backbone interact. energy: 0.754
local terms energy: -230.736511
where:
bonds (distance) C4'-P energy: -50.291
bonds (distance) P-C4' energy: -49.896
flat angles C4'-P-C4' energy: -41.486
flat angles P-C4'-P energy: -37.243
tors. eta vs tors. theta energy: -51.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -573.422654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.422654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.422654 (E_RNA)
where:
Base-Base interactions energy: -366.600
where: short stacking energy: -179.653
Base-Backbone interact. energy: -0.414
local terms energy: -206.409302
where:
bonds (distance) C4'-P energy: -37.969
bonds (distance) P-C4' energy: -45.948
flat angles C4'-P-C4' energy: -53.557
flat angles P-C4'-P energy: -23.321
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: 10, replica: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -289.786678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.786678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.786678 (E_RNA)
where:
Base-Base interactions energy: -135.568
where: short stacking energy: -80.644
Base-Backbone interact. energy: 2.799
local terms energy: -157.016752
where:
bonds (distance) C4'-P energy: -36.116
bonds (distance) P-C4' energy: -42.640
flat angles C4'-P-C4' energy: -52.482
flat angles P-C4'-P energy: -31.200
tors. eta vs tors. theta energy: 5.422
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: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -976.860834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.860834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.860834 (E_RNA)
where:
Base-Base interactions energy: -678.939
where: short stacking energy: -300.054
Base-Backbone interact. energy: -0.701
local terms energy: -297.220295
where:
bonds (distance) C4'-P energy: -53.097
bonds (distance) P-C4' energy: -46.844
flat angles C4'-P-C4' energy: -61.217
flat angles P-C4'-P energy: -44.249
tors. eta vs tors. theta energy: -91.813
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: 4
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -937.377826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.377826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.377826 (E_RNA)
where:
Base-Base interactions energy: -659.513
where: short stacking energy: -279.147
Base-Backbone interact. energy: -0.767
local terms energy: -277.097715
where:
bonds (distance) C4'-P energy: -45.380
bonds (distance) P-C4' energy: -48.570
flat angles C4'-P-C4' energy: -58.188
flat angles P-C4'-P energy: -40.814
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: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -927.953347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.953347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.953347 (E_RNA)
where:
Base-Base interactions energy: -642.328
where: short stacking energy: -275.006
Base-Backbone interact. energy: -0.493
local terms energy: -285.132014
where:
bonds (distance) C4'-P energy: -44.086
bonds (distance) P-C4' energy: -63.217
flat angles C4'-P-C4' energy: -49.777
flat angles P-C4'-P energy: -45.013
tors. eta vs tors. theta energy: -83.039
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: 4, replica: 9
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -893.527093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.527093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.527093 (E_RNA)
where:
Base-Base interactions energy: -628.276
where: short stacking energy: -275.622
Base-Backbone interact. energy: -0.834
local terms energy: -264.417494
where:
bonds (distance) C4'-P energy: -46.291
bonds (distance) P-C4' energy: -41.036
flat angles C4'-P-C4' energy: -56.287
flat angles P-C4'-P energy: -37.520
tors. eta vs tors. theta energy: -83.283
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: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -832.152013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.152013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.152013 (E_RNA)
where:
Base-Base interactions energy: -568.471
where: short stacking energy: -242.478
Base-Backbone interact. energy: 1.408
local terms energy: -265.089083
where:
bonds (distance) C4'-P energy: -39.813
bonds (distance) P-C4' energy: -56.174
flat angles C4'-P-C4' energy: -58.007
flat angles P-C4'-P energy: -43.025
tors. eta vs tors. theta energy: -68.070
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: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -794.826435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.826435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.826435 (E_RNA)
where:
Base-Base interactions energy: -565.639
where: short stacking energy: -233.434
Base-Backbone interact. energy: 1.139
local terms energy: -230.326926
where:
bonds (distance) C4'-P energy: -43.915
bonds (distance) P-C4' energy: -43.242
flat angles C4'-P-C4' energy: -49.395
flat angles P-C4'-P energy: -29.705
tors. eta vs tors. theta energy: -64.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -751.180254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.180254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.180254 (E_RNA)
where:
Base-Base interactions energy: -527.242
where: short stacking energy: -218.492
Base-Backbone interact. energy: -2.350
local terms energy: -221.588223
where:
bonds (distance) C4'-P energy: -41.175
bonds (distance) P-C4' energy: -43.565
flat angles C4'-P-C4' energy: -50.277
flat angles P-C4'-P energy: -27.707
tors. eta vs tors. theta energy: -58.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -639.328770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.328770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.328770 (E_RNA)
where:
Base-Base interactions energy: -427.238
where: short stacking energy: -199.422
Base-Backbone interact. energy: -0.731
local terms energy: -211.360116
where:
bonds (distance) C4'-P energy: -33.761
bonds (distance) P-C4' energy: -42.821
flat angles C4'-P-C4' energy: -49.079
flat angles P-C4'-P energy: -40.000
tors. eta vs tors. theta energy: -45.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -560.628651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.628651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.628651 (E_RNA)
where:
Base-Base interactions energy: -355.972
where: short stacking energy: -164.350
Base-Backbone interact. energy: -0.288
local terms energy: -204.368028
where:
bonds (distance) C4'-P energy: -42.644
bonds (distance) P-C4' energy: -48.458
flat angles C4'-P-C4' energy: -36.463
flat angles P-C4'-P energy: -32.551
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: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -302.937045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.937045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.937045 (E_RNA)
where:
Base-Base interactions energy: -155.703
where: short stacking energy: -95.397
Base-Backbone interact. energy: -0.550
local terms energy: -146.683403
where:
bonds (distance) C4'-P energy: -43.298
bonds (distance) P-C4' energy: -44.244
flat angles C4'-P-C4' energy: -37.795
flat angles P-C4'-P energy: -18.586
tors. eta vs tors. theta energy: -2.761
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: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -968.379312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.379312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.379312 (E_RNA)
where:
Base-Base interactions energy: -669.368
where: short stacking energy: -295.706
Base-Backbone interact. energy: -0.454
local terms energy: -298.557056
where:
bonds (distance) C4'-P energy: -55.848
bonds (distance) P-C4' energy: -48.889
flat angles C4'-P-C4' energy: -52.660
flat angles P-C4'-P energy: -48.437
tors. eta vs tors. theta energy: -92.723
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: 5
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -949.006347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.006347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.006347 (E_RNA)
where:
Base-Base interactions energy: -665.945
where: short stacking energy: -288.505
Base-Backbone interact. energy: -1.058
local terms energy: -282.003529
where:
bonds (distance) C4'-P energy: -48.263
bonds (distance) P-C4' energy: -49.227
flat angles C4'-P-C4' energy: -59.427
flat angles P-C4'-P energy: -45.917
tors. eta vs tors. theta energy: -79.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -928.602774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.602774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.602774 (E_RNA)
where:
Base-Base interactions energy: -645.112
where: short stacking energy: -276.733
Base-Backbone interact. energy: -1.736
local terms energy: -281.754491
where:
bonds (distance) C4'-P energy: -43.633
bonds (distance) P-C4' energy: -59.464
flat angles C4'-P-C4' energy: -62.751
flat angles P-C4'-P energy: -37.089
tors. eta vs tors. theta energy: -78.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -889.016799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.016799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.016799 (E_RNA)
where:
Base-Base interactions energy: -620.874
where: short stacking energy: -269.015
Base-Backbone interact. energy: -0.792
local terms energy: -267.350584
where:
bonds (distance) C4'-P energy: -45.771
bonds (distance) P-C4' energy: -52.712
flat angles C4'-P-C4' energy: -58.695
flat angles P-C4'-P energy: -27.266
tors. eta vs tors. theta energy: -82.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -851.228894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.228894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.228894 (E_RNA)
where:
Base-Base interactions energy: -573.575
where: short stacking energy: -251.856
Base-Backbone interact. energy: -0.801
local terms energy: -276.851994
where:
bonds (distance) C4'-P energy: -51.422
bonds (distance) P-C4' energy: -55.303
flat angles C4'-P-C4' energy: -54.467
flat angles P-C4'-P energy: -44.461
tors. eta vs tors. theta energy: -71.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -785.588951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.588951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.588951 (E_RNA)
where:
Base-Base interactions energy: -537.491
where: short stacking energy: -238.050
Base-Backbone interact. energy: -1.114
local terms energy: -246.983974
where:
bonds (distance) C4'-P energy: -49.405
bonds (distance) P-C4' energy: -37.035
flat angles C4'-P-C4' energy: -53.366
flat angles P-C4'-P energy: -38.573
tors. eta vs tors. theta energy: -68.604
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: 7, replica: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -787.885975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.885975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.885975 (E_RNA)
where:
Base-Base interactions energy: -547.584
where: short stacking energy: -227.106
Base-Backbone interact. energy: -1.094
local terms energy: -239.208471
where:
bonds (distance) C4'-P energy: -41.906
bonds (distance) P-C4' energy: -38.327
flat angles C4'-P-C4' energy: -50.674
flat angles P-C4'-P energy: -39.608
tors. eta vs tors. theta energy: -68.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -624.581343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.581343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.581343 (E_RNA)
where:
Base-Base interactions energy: -415.795
where: short stacking energy: -179.994
Base-Backbone interact. energy: -0.865
local terms energy: -207.921296
where:
bonds (distance) C4'-P energy: -35.548
bonds (distance) P-C4' energy: -50.545
flat angles C4'-P-C4' energy: -49.218
flat angles P-C4'-P energy: -29.640
tors. eta vs tors. theta energy: -42.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -527.447376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.447376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.447376 (E_RNA)
where:
Base-Base interactions energy: -319.450
where: short stacking energy: -148.441
Base-Backbone interact. energy: 4.230
local terms energy: -212.227329
where:
bonds (distance) C4'-P energy: -43.116
bonds (distance) P-C4' energy: -39.432
flat angles C4'-P-C4' energy: -46.666
flat angles P-C4'-P energy: -39.170
tors. eta vs tors. theta energy: -43.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -303.220137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.220137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.220137 (E_RNA)
where:
Base-Base interactions energy: -147.720
where: short stacking energy: -87.430
Base-Backbone interact. energy: 0.548
local terms energy: -156.048003
where:
bonds (distance) C4'-P energy: -40.647
bonds (distance) P-C4' energy: -54.847
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -29.545
tors. eta vs tors. theta energy: -10.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -972.181296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.181296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.181296 (E_RNA)
where:
Base-Base interactions energy: -671.161
where: short stacking energy: -289.645
Base-Backbone interact. energy: -1.780
local terms energy: -299.240348
where:
bonds (distance) C4'-P energy: -60.928
bonds (distance) P-C4' energy: -49.163
flat angles C4'-P-C4' energy: -54.881
flat angles P-C4'-P energy: -46.650
tors. eta vs tors. theta energy: -87.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -949.053559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.053559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.053559 (E_RNA)
where:
Base-Base interactions energy: -653.786
where: short stacking energy: -288.934
Base-Backbone interact. energy: -0.020
local terms energy: -295.247572
where:
bonds (distance) C4'-P energy: -52.653
bonds (distance) P-C4' energy: -49.765
flat angles C4'-P-C4' energy: -58.493
flat angles P-C4'-P energy: -44.354
tors. eta vs tors. theta energy: -89.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -927.911544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.911544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.911544 (E_RNA)
where:
Base-Base interactions energy: -650.690
where: short stacking energy: -293.673
Base-Backbone interact. energy: 1.751
local terms energy: -278.973297
where:
bonds (distance) C4'-P energy: -45.363
bonds (distance) P-C4' energy: -45.107
flat angles C4'-P-C4' energy: -61.104
flat angles P-C4'-P energy: -43.342
tors. eta vs tors. theta energy: -84.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -889.046953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.046953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.046953 (E_RNA)
where:
Base-Base interactions energy: -613.144
where: short stacking energy: -255.943
Base-Backbone interact. energy: -1.320
local terms energy: -274.582829
where:
bonds (distance) C4'-P energy: -46.219
bonds (distance) P-C4' energy: -54.189
flat angles C4'-P-C4' energy: -55.260
flat angles P-C4'-P energy: -37.490
tors. eta vs tors. theta energy: -81.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -837.538187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.538187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.538187 (E_RNA)
where:
Base-Base interactions energy: -567.437
where: short stacking energy: -242.827
Base-Backbone interact. energy: -0.545
local terms energy: -269.556907
where:
bonds (distance) C4'-P energy: -47.704
bonds (distance) P-C4' energy: -58.320
flat angles C4'-P-C4' energy: -54.552
flat angles P-C4'-P energy: -34.680
tors. eta vs tors. theta energy: -74.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -781.982214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.982214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.982214 (E_RNA)
where:
Base-Base interactions energy: -541.530
where: short stacking energy: -233.274
Base-Backbone interact. energy: -2.396
local terms energy: -238.057088
where:
bonds (distance) C4'-P energy: -47.589
bonds (distance) P-C4' energy: -40.164
flat angles C4'-P-C4' energy: -57.608
flat angles P-C4'-P energy: -31.888
tors. eta vs tors. theta energy: -60.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -768.111949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.111949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.111949 (E_RNA)
where:
Base-Base interactions energy: -534.464
where: short stacking energy: -230.058
Base-Backbone interact. energy: 0.252
local terms energy: -233.899725
where:
bonds (distance) C4'-P energy: -44.969
bonds (distance) P-C4' energy: -41.340
flat angles C4'-P-C4' energy: -45.934
flat angles P-C4'-P energy: -29.590
tors. eta vs tors. theta energy: -72.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -618.204471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.204471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.204471 (E_RNA)
where:
Base-Base interactions energy: -417.928
where: short stacking energy: -175.529
Base-Backbone interact. energy: 0.908
local terms energy: -201.184525
where:
bonds (distance) C4'-P energy: -46.835
bonds (distance) P-C4' energy: -50.373
flat angles C4'-P-C4' energy: -40.135
flat angles P-C4'-P energy: -32.847
tors. eta vs tors. theta energy: -30.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -497.370288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.370288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.370288 (E_RNA)
where:
Base-Base interactions energy: -312.628
where: short stacking energy: -143.506
Base-Backbone interact. energy: -1.376
local terms energy: -183.366487
where:
bonds (distance) C4'-P energy: -34.519
bonds (distance) P-C4' energy: -48.108
flat angles C4'-P-C4' energy: -52.003
flat angles P-C4'-P energy: -20.055
tors. eta vs tors. theta energy: -28.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -278.757055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.757055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.757055 (E_RNA)
where:
Base-Base interactions energy: -138.130
where: short stacking energy: -66.278
Base-Backbone interact. energy: -1.093
local terms energy: -139.533780
where:
bonds (distance) C4'-P energy: -47.424
bonds (distance) P-C4' energy: -30.077
flat angles C4'-P-C4' energy: -37.350
flat angles P-C4'-P energy: -32.273
tors. eta vs tors. theta energy: 7.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -976.781153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.781153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.781153 (E_RNA)
where:
Base-Base interactions energy: -677.327
where: short stacking energy: -298.037
Base-Backbone interact. energy: -1.232
local terms energy: -298.221916
where:
bonds (distance) C4'-P energy: -51.169
bonds (distance) P-C4' energy: -50.447
flat angles C4'-P-C4' energy: -61.009
flat angles P-C4'-P energy: -45.795
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: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -955.177389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.177389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.177389 (E_RNA)
where:
Base-Base interactions energy: -664.736
where: short stacking energy: -300.629
Base-Backbone interact. energy: -0.528
local terms energy: -289.913353
where:
bonds (distance) C4'-P energy: -46.179
bonds (distance) P-C4' energy: -49.560
flat angles C4'-P-C4' energy: -62.044
flat angles P-C4'-P energy: -42.085
tors. eta vs tors. theta energy: -90.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -926.492341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.492341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.492341 (E_RNA)
where:
Base-Base interactions energy: -634.471
where: short stacking energy: -275.637
Base-Backbone interact. energy: 0.083
local terms energy: -292.103603
where:
bonds (distance) C4'-P energy: -52.033
bonds (distance) P-C4' energy: -52.188
flat angles C4'-P-C4' energy: -62.544
flat angles P-C4'-P energy: -36.778
tors. eta vs tors. theta energy: -88.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -891.859136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.859136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.859136 (E_RNA)
where:
Base-Base interactions energy: -605.367
where: short stacking energy: -253.218
Base-Backbone interact. energy: -1.768
local terms energy: -284.724233
where:
bonds (distance) C4'-P energy: -48.684
bonds (distance) P-C4' energy: -56.846
flat angles C4'-P-C4' energy: -61.581
flat angles P-C4'-P energy: -38.015
tors. eta vs tors. theta energy: -79.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -842.105167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.105167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.105167 (E_RNA)
where:
Base-Base interactions energy: -581.652
where: short stacking energy: -259.519
Base-Backbone interact. energy: -0.813
local terms energy: -259.640729
where:
bonds (distance) C4'-P energy: -42.389
bonds (distance) P-C4' energy: -50.661
flat angles C4'-P-C4' energy: -57.461
flat angles P-C4'-P energy: -41.019
tors. eta vs tors. theta energy: -68.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -801.405197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.405197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.405197 (E_RNA)
where:
Base-Base interactions energy: -552.912
where: short stacking energy: -242.920
Base-Backbone interact. energy: -0.544
local terms energy: -247.949261
where:
bonds (distance) C4'-P energy: -42.577
bonds (distance) P-C4' energy: -46.462
flat angles C4'-P-C4' energy: -59.654
flat angles P-C4'-P energy: -36.257
tors. eta vs tors. theta energy: -63.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -752.473050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.473050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.473050 (E_RNA)
where:
Base-Base interactions energy: -533.952
where: short stacking energy: -230.323
Base-Backbone interact. energy: 0.319
local terms energy: -218.839569
where:
bonds (distance) C4'-P energy: -39.469
bonds (distance) P-C4' energy: -39.658
flat angles C4'-P-C4' energy: -42.473
flat angles P-C4'-P energy: -36.460
tors. eta vs tors. theta energy: -60.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -678.200372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.200372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.200372 (E_RNA)
where:
Base-Base interactions energy: -451.335
where: short stacking energy: -184.721
Base-Backbone interact. energy: -0.371
local terms energy: -226.494981
where:
bonds (distance) C4'-P energy: -44.274
bonds (distance) P-C4' energy: -46.010
flat angles C4'-P-C4' energy: -50.987
flat angles P-C4'-P energy: -39.039
tors. eta vs tors. theta energy: -46.185
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: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -441.998264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.998264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.998264 (E_RNA)
where:
Base-Base interactions energy: -252.888
where: short stacking energy: -133.158
Base-Backbone interact. energy: -0.304
local terms energy: -188.805447
where:
bonds (distance) C4'-P energy: -35.557
bonds (distance) P-C4' energy: -43.103
flat angles C4'-P-C4' energy: -51.467
flat angles P-C4'-P energy: -27.369
tors. eta vs tors. theta energy: -31.309
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: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -280.787437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.787437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.787437 (E_RNA)
where:
Base-Base interactions energy: -132.664
where: short stacking energy: -93.213
Base-Backbone interact. energy: -1.101
local terms energy: -147.022397
where:
bonds (distance) C4'-P energy: -41.618
bonds (distance) P-C4' energy: -39.686
flat angles C4'-P-C4' energy: -34.757
flat angles P-C4'-P energy: -27.699
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -965.887051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.887051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.887051 (E_RNA)
where:
Base-Base interactions energy: -672.914
where: short stacking energy: -286.928
Base-Backbone interact. energy: -0.449
local terms energy: -292.524445
where:
bonds (distance) C4'-P energy: -48.566
bonds (distance) P-C4' energy: -56.595
flat angles C4'-P-C4' energy: -58.234
flat angles P-C4'-P energy: -46.442
tors. eta vs tors. theta energy: -82.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -956.290910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.290910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.290910 (E_RNA)
where:
Base-Base interactions energy: -665.381
where: short stacking energy: -285.416
Base-Backbone interact. energy: -0.855
local terms energy: -290.055704
where:
bonds (distance) C4'-P energy: -40.627
bonds (distance) P-C4' energy: -50.473
flat angles C4'-P-C4' energy: -62.363
flat angles P-C4'-P energy: -45.940
tors. eta vs tors. theta energy: -90.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -928.723420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.723420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.723420 (E_RNA)
where:
Base-Base interactions energy: -650.253
where: short stacking energy: -269.811
Base-Backbone interact. energy: -0.952
local terms energy: -277.518147
where:
bonds (distance) C4'-P energy: -48.865
bonds (distance) P-C4' energy: -41.635
flat angles C4'-P-C4' energy: -61.241
flat angles P-C4'-P energy: -43.475
tors. eta vs tors. theta energy: -82.302
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: 9
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -883.881985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.881985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.881985 (E_RNA)
where:
Base-Base interactions energy: -613.763
where: short stacking energy: -270.447
Base-Backbone interact. energy: -0.972
local terms energy: -269.146686
where:
bonds (distance) C4'-P energy: -45.131
bonds (distance) P-C4' energy: -42.413
flat angles C4'-P-C4' energy: -59.996
flat angles P-C4'-P energy: -41.351
tors. eta vs tors. theta energy: -80.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -831.501080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.501080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.501080 (E_RNA)
where:
Base-Base interactions energy: -578.616
where: short stacking energy: -254.210
Base-Backbone interact. energy: 0.826
local terms energy: -253.711674
where:
bonds (distance) C4'-P energy: -29.349
bonds (distance) P-C4' energy: -55.728
flat angles C4'-P-C4' energy: -52.961
flat angles P-C4'-P energy: -41.180
tors. eta vs tors. theta energy: -74.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -784.816768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.816768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.816768 (E_RNA)
where:
Base-Base interactions energy: -543.056
where: short stacking energy: -228.606
Base-Backbone interact. energy: -0.227
local terms energy: -241.533579
where:
bonds (distance) C4'-P energy: -45.952
bonds (distance) P-C4' energy: -45.663
flat angles C4'-P-C4' energy: -51.300
flat angles P-C4'-P energy: -38.410
tors. eta vs tors. theta energy: -60.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -683.526094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.526094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.526094 (E_RNA)
where:
Base-Base interactions energy: -458.766
where: short stacking energy: -202.302
Base-Backbone interact. energy: -1.362
local terms energy: -223.398880
where:
bonds (distance) C4'-P energy: -42.596
bonds (distance) P-C4' energy: -44.662
flat angles C4'-P-C4' energy: -53.466
flat angles P-C4'-P energy: -28.842
tors. eta vs tors. theta energy: -53.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -726.723944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.723944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.723944 (E_RNA)
where:
Base-Base interactions energy: -495.769
where: short stacking energy: -209.963
Base-Backbone interact. energy: -0.327
local terms energy: -230.627923
where:
bonds (distance) C4'-P energy: -39.747
bonds (distance) P-C4' energy: -50.893
flat angles C4'-P-C4' energy: -46.531
flat angles P-C4'-P energy: -32.644
tors. eta vs tors. theta energy: -60.813
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: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -456.571835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.571835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.571835 (E_RNA)
where:
Base-Base interactions energy: -271.992
where: short stacking energy: -141.091
Base-Backbone interact. energy: 0.434
local terms energy: -185.013496
where:
bonds (distance) C4'-P energy: -39.530
bonds (distance) P-C4' energy: -53.880
flat angles C4'-P-C4' energy: -42.363
flat angles P-C4'-P energy: -25.965
tors. eta vs tors. theta energy: -23.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -293.145350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.145350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.145350 (E_RNA)
where:
Base-Base interactions energy: -148.886
where: short stacking energy: -88.064
Base-Backbone interact. energy: 0.546
local terms energy: -144.804808
where:
bonds (distance) C4'-P energy: -40.240
bonds (distance) P-C4' energy: -40.504
flat angles C4'-P-C4' energy: -36.903
flat angles P-C4'-P energy: -21.618
tors. eta vs tors. theta energy: -5.539
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: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -956.854568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.854568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.854568 (E_RNA)
where:
Base-Base interactions energy: -659.700
where: short stacking energy: -275.210
Base-Backbone interact. energy: -0.651
local terms energy: -296.504104
where:
bonds (distance) C4'-P energy: -58.185
bonds (distance) P-C4' energy: -51.044
flat angles C4'-P-C4' energy: -64.048
flat angles P-C4'-P energy: -45.012
tors. eta vs tors. theta energy: -78.214
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: 2, replica: 4
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -942.520895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.520895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.520895 (E_RNA)
where:
Base-Base interactions energy: -659.615
where: short stacking energy: -293.085
Base-Backbone interact. energy: -0.850
local terms energy: -282.055835
where:
bonds (distance) C4'-P energy: -46.796
bonds (distance) P-C4' energy: -50.109
flat angles C4'-P-C4' energy: -58.546
flat angles P-C4'-P energy: -34.610
tors. eta vs tors. theta energy: -91.995
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: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -936.251419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.251419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.251419 (E_RNA)
where:
Base-Base interactions energy: -656.359
where: short stacking energy: -275.541
Base-Backbone interact. energy: -1.218
local terms energy: -278.675009
where:
bonds (distance) C4'-P energy: -51.823
bonds (distance) P-C4' energy: -48.436
flat angles C4'-P-C4' energy: -57.453
flat angles P-C4'-P energy: -37.606
tors. eta vs tors. theta energy: -83.357
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: 9
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -908.819673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.819673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.819673 (E_RNA)
where:
Base-Base interactions energy: -639.111
where: short stacking energy: -271.330
Base-Backbone interact. energy: -0.699
local terms energy: -269.010027
where:
bonds (distance) C4'-P energy: -46.151
bonds (distance) P-C4' energy: -50.211
flat angles C4'-P-C4' energy: -57.269
flat angles P-C4'-P energy: -32.405
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: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -828.609410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.609410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.609410 (E_RNA)
where:
Base-Base interactions energy: -564.359
where: short stacking energy: -246.236
Base-Backbone interact. energy: -0.003
local terms energy: -264.247371
where:
bonds (distance) C4'-P energy: -53.465
bonds (distance) P-C4' energy: -39.672
flat angles C4'-P-C4' energy: -59.750
flat angles P-C4'-P energy: -37.999
tors. eta vs tors. theta energy: -73.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -780.351257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.351257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.351257 (E_RNA)
where:
Base-Base interactions energy: -527.492
where: short stacking energy: -227.395
Base-Backbone interact. energy: -1.400
local terms energy: -251.458780
where:
bonds (distance) C4'-P energy: -52.956
bonds (distance) P-C4' energy: -43.753
flat angles C4'-P-C4' energy: -53.750
flat angles P-C4'-P energy: -34.433
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: 7, replica: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -735.752777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.752777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.752777 (E_RNA)
where:
Base-Base interactions energy: -495.325
where: short stacking energy: -223.059
Base-Backbone interact. energy: -1.760
local terms energy: -238.668251
where:
bonds (distance) C4'-P energy: -44.298
bonds (distance) P-C4' energy: -52.572
flat angles C4'-P-C4' energy: -53.614
flat angles P-C4'-P energy: -33.538
tors. eta vs tors. theta energy: -54.646
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: 3
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -761.003921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.003921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.003921 (E_RNA)
where:
Base-Base interactions energy: -536.258
where: short stacking energy: -222.096
Base-Backbone interact. energy: 1.390
local terms energy: -226.135469
where:
bonds (distance) C4'-P energy: -36.888
bonds (distance) P-C4' energy: -48.484
flat angles C4'-P-C4' energy: -49.364
flat angles P-C4'-P energy: -33.952
tors. eta vs tors. theta energy: -57.447
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: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -491.266554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.266554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.266554 (E_RNA)
where:
Base-Base interactions energy: -300.430
where: short stacking energy: -154.158
Base-Backbone interact. energy: 0.865
local terms energy: -191.701642
where:
bonds (distance) C4'-P energy: -43.436
bonds (distance) P-C4' energy: -39.816
flat angles C4'-P-C4' energy: -57.459
flat angles P-C4'-P energy: -17.111
tors. eta vs tors. theta energy: -33.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -297.452876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.452876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.452876 (E_RNA)
where:
Base-Base interactions energy: -154.211
where: short stacking energy: -99.763
Base-Backbone interact. energy: -0.887
local terms energy: -142.354482
where:
bonds (distance) C4'-P energy: -33.495
bonds (distance) P-C4' energy: -41.632
flat angles C4'-P-C4' energy: -36.509
flat angles P-C4'-P energy: -28.809
tors. eta vs tors. theta energy: -1.909
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: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -966.738633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.738633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.738633 (E_RNA)
where:
Base-Base interactions energy: -670.288
where: short stacking energy: -292.143
Base-Backbone interact. energy: -1.151
local terms energy: -295.299490
where:
bonds (distance) C4'-P energy: -47.222
bonds (distance) P-C4' energy: -53.096
flat angles C4'-P-C4' energy: -63.729
flat angles P-C4'-P energy: -46.402
tors. eta vs tors. theta energy: -84.851
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: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -930.543453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.543453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.543453 (E_RNA)
where:
Base-Base interactions energy: -650.645
where: short stacking energy: -284.821
Base-Backbone interact. energy: -1.002
local terms energy: -278.896048
where:
bonds (distance) C4'-P energy: -42.259
bonds (distance) P-C4' energy: -53.642
flat angles C4'-P-C4' energy: -57.661
flat angles P-C4'-P energy: -36.200
tors. eta vs tors. theta energy: -89.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -945.654085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.654085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.654085 (E_RNA)
where:
Base-Base interactions energy: -658.291
where: short stacking energy: -287.654
Base-Backbone interact. energy: -1.340
local terms energy: -286.022356
where:
bonds (distance) C4'-P energy: -52.123
bonds (distance) P-C4' energy: -46.481
flat angles C4'-P-C4' energy: -60.594
flat angles P-C4'-P energy: -40.184
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: 4, replica: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -890.628394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.628394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.628394 (E_RNA)
where:
Base-Base interactions energy: -619.111
where: short stacking energy: -266.663
Base-Backbone interact. energy: -0.618
local terms energy: -270.899496
where:
bonds (distance) C4'-P energy: -48.378
bonds (distance) P-C4' energy: -41.390
flat angles C4'-P-C4' energy: -55.094
flat angles P-C4'-P energy: -40.232
tors. eta vs tors. theta energy: -85.806
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: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -851.105307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.105307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.105307 (E_RNA)
where:
Base-Base interactions energy: -579.564
where: short stacking energy: -260.436
Base-Backbone interact. energy: -0.551
local terms energy: -270.990338
where:
bonds (distance) C4'-P energy: -42.167
bonds (distance) P-C4' energy: -56.452
flat angles C4'-P-C4' energy: -57.413
flat angles P-C4'-P energy: -36.103
tors. eta vs tors. theta energy: -78.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -774.185489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.185489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.185489 (E_RNA)
where:
Base-Base interactions energy: -531.529
where: short stacking energy: -230.574
Base-Backbone interact. energy: -0.504
local terms energy: -242.152953
where:
bonds (distance) C4'-P energy: -33.688
bonds (distance) P-C4' energy: -50.864
flat angles C4'-P-C4' energy: -52.652
flat angles P-C4'-P energy: -35.681
tors. eta vs tors. theta energy: -69.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -769.248915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.248915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.248915 (E_RNA)
where:
Base-Base interactions energy: -540.019
where: short stacking energy: -231.420
Base-Backbone interact. energy: -0.903
local terms energy: -228.327760
where:
bonds (distance) C4'-P energy: -26.520
bonds (distance) P-C4' energy: -52.989
flat angles C4'-P-C4' energy: -49.919
flat angles P-C4'-P energy: -27.842
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: 8, replica: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -730.189697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.189697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.189697 (E_RNA)
where:
Base-Base interactions energy: -514.030
where: short stacking energy: -220.863
Base-Backbone interact. energy: -0.757
local terms energy: -215.401873
where:
bonds (distance) C4'-P energy: -33.164
bonds (distance) P-C4' energy: -46.090
flat angles C4'-P-C4' energy: -51.122
flat angles P-C4'-P energy: -28.496
tors. eta vs tors. theta energy: -56.531
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: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -493.673960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.673960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.673960 (E_RNA)
where:
Base-Base interactions energy: -306.449
where: short stacking energy: -141.348
Base-Backbone interact. energy: -0.737
local terms energy: -186.488370
where:
bonds (distance) C4'-P energy: -36.253
bonds (distance) P-C4' energy: -47.949
flat angles C4'-P-C4' energy: -48.363
flat angles P-C4'-P energy: -28.821
tors. eta vs tors. theta energy: -25.103
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: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -281.633921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.633921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.633921 (E_RNA)
where:
Base-Base interactions energy: -148.068
where: short stacking energy: -77.947
Base-Backbone interact. energy: -0.025
local terms energy: -133.540731
where:
bonds (distance) C4'-P energy: -41.361
bonds (distance) P-C4' energy: -40.490
flat angles C4'-P-C4' energy: -40.174
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: 4.307
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: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -973.868299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.868299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.868299 (E_RNA)
where:
Base-Base interactions energy: -670.840
where: short stacking energy: -284.405
Base-Backbone interact. energy: -0.865
local terms energy: -302.162355
where:
bonds (distance) C4'-P energy: -54.897
bonds (distance) P-C4' energy: -56.624
flat angles C4'-P-C4' energy: -62.379
flat angles P-C4'-P energy: -44.062
tors. eta vs tors. theta energy: -84.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -950.566211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.566211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.566211 (E_RNA)
where:
Base-Base interactions energy: -649.066
where: short stacking energy: -262.507
Base-Backbone interact. energy: -2.646
local terms energy: -298.853632
where:
bonds (distance) C4'-P energy: -60.119
bonds (distance) P-C4' energy: -56.871
flat angles C4'-P-C4' energy: -55.061
flat angles P-C4'-P energy: -46.236
tors. eta vs tors. theta energy: -80.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -946.680820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.680820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.680820 (E_RNA)
where:
Base-Base interactions energy: -659.516
where: short stacking energy: -280.286
Base-Backbone interact. energy: -0.835
local terms energy: -286.329209
where:
bonds (distance) C4'-P energy: -40.468
bonds (distance) P-C4' energy: -48.448
flat angles C4'-P-C4' energy: -66.466
flat angles P-C4'-P energy: -44.327
tors. eta vs tors. theta energy: -86.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -857.554441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.554441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.554441 (E_RNA)
where:
Base-Base interactions energy: -592.876
where: short stacking energy: -257.449
Base-Backbone interact. energy: -0.668
local terms energy: -264.010493
where:
bonds (distance) C4'-P energy: -49.044
bonds (distance) P-C4' energy: -53.371
flat angles C4'-P-C4' energy: -52.744
flat angles P-C4'-P energy: -35.454
tors. eta vs tors. theta energy: -73.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -884.168514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.168514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.168514 (E_RNA)
where:
Base-Base interactions energy: -618.026
where: short stacking energy: -272.028
Base-Backbone interact. energy: 0.206
local terms energy: -266.348775
where:
bonds (distance) C4'-P energy: -47.073
bonds (distance) P-C4' energy: -44.991
flat angles C4'-P-C4' energy: -51.196
flat angles P-C4'-P energy: -36.924
tors. eta vs tors. theta energy: -86.165
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: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -797.238852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.238852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.238852 (E_RNA)
where:
Base-Base interactions energy: -537.283
where: short stacking energy: -236.509
Base-Backbone interact. energy: -0.756
local terms energy: -259.199743
where:
bonds (distance) C4'-P energy: -45.660
bonds (distance) P-C4' energy: -55.983
flat angles C4'-P-C4' energy: -48.435
flat angles P-C4'-P energy: -40.258
tors. eta vs tors. theta energy: -68.864
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: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -779.203931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.203931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.203931 (E_RNA)
where:
Base-Base interactions energy: -545.353
where: short stacking energy: -212.918
Base-Backbone interact. energy: -0.430
local terms energy: -233.420842
where:
bonds (distance) C4'-P energy: -51.108
bonds (distance) P-C4' energy: -35.035
flat angles C4'-P-C4' energy: -53.951
flat angles P-C4'-P energy: -34.949
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: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -726.624129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.624129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.624129 (E_RNA)
where:
Base-Base interactions energy: -501.631
where: short stacking energy: -208.184
Base-Backbone interact. energy: -0.670
local terms energy: -224.322525
where:
bonds (distance) C4'-P energy: -45.640
bonds (distance) P-C4' energy: -40.168
flat angles C4'-P-C4' energy: -51.920
flat angles P-C4'-P energy: -33.332
tors. eta vs tors. theta energy: -53.263
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: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -463.987131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.987131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.987131 (E_RNA)
where:
Base-Base interactions energy: -275.874
where: short stacking energy: -134.906
Base-Backbone interact. energy: 0.481
local terms energy: -188.593752
where:
bonds (distance) C4'-P energy: -31.314
bonds (distance) P-C4' energy: -47.545
flat angles C4'-P-C4' energy: -49.331
flat angles P-C4'-P energy: -29.720
tors. eta vs tors. theta energy: -30.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -285.778460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.778460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.778460 (E_RNA)
where:
Base-Base interactions energy: -133.426
where: short stacking energy: -93.393
Base-Backbone interact. energy: -0.360
local terms energy: -151.992958
where:
bonds (distance) C4'-P energy: -34.984
bonds (distance) P-C4' energy: -45.957
flat angles C4'-P-C4' energy: -35.589
flat angles P-C4'-P energy: -26.639
tors. eta vs tors. theta energy: -8.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -961.599042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.599042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.599042 (E_RNA)
where:
Base-Base interactions energy: -671.143
where: short stacking energy: -285.371
Base-Backbone interact. energy: -1.076
local terms energy: -289.380749
where:
bonds (distance) C4'-P energy: -52.986
bonds (distance) P-C4' energy: -53.156
flat angles C4'-P-C4' energy: -57.539
flat angles P-C4'-P energy: -41.524
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: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -958.965370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.965370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.965370 (E_RNA)
where:
Base-Base interactions energy: -659.780
where: short stacking energy: -271.495
Base-Backbone interact. energy: -0.856
local terms energy: -298.329181
where:
bonds (distance) C4'-P energy: -54.025
bonds (distance) P-C4' energy: -59.569
flat angles C4'-P-C4' energy: -61.705
flat angles P-C4'-P energy: -45.444
tors. eta vs tors. theta energy: -77.586
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: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -935.026900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.026900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.026900 (E_RNA)
where:
Base-Base interactions energy: -661.375
where: short stacking energy: -271.171
Base-Backbone interact. energy: -0.826
local terms energy: -272.825444
where:
bonds (distance) C4'-P energy: -42.860
bonds (distance) P-C4' energy: -51.578
flat angles C4'-P-C4' energy: -57.377
flat angles P-C4'-P energy: -36.296
tors. eta vs tors. theta energy: -84.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -860.984620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.984620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.984620 (E_RNA)
where:
Base-Base interactions energy: -575.064
where: short stacking energy: -252.825
Base-Backbone interact. energy: -0.249
local terms energy: -285.671489
where:
bonds (distance) C4'-P energy: -49.406
bonds (distance) P-C4' energy: -57.001
flat angles C4'-P-C4' energy: -57.583
flat angles P-C4'-P energy: -41.045
tors. eta vs tors. theta energy: -80.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -873.069749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.069749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.069749 (E_RNA)
where:
Base-Base interactions energy: -622.139
where: short stacking energy: -256.779
Base-Backbone interact. energy: -1.438
local terms energy: -249.493292
where:
bonds (distance) C4'-P energy: -46.299
bonds (distance) P-C4' energy: -45.630
flat angles C4'-P-C4' energy: -49.532
flat angles P-C4'-P energy: -32.391
tors. eta vs tors. theta energy: -75.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -768.261318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.261318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.261318 (E_RNA)
where:
Base-Base interactions energy: -535.863
where: short stacking energy: -232.388
Base-Backbone interact. energy: -0.609
local terms energy: -231.789335
where:
bonds (distance) C4'-P energy: -40.330
bonds (distance) P-C4' energy: -54.064
flat angles C4'-P-C4' energy: -44.736
flat angles P-C4'-P energy: -33.854
tors. eta vs tors. theta energy: -58.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -758.676168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.676168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.676168 (E_RNA)
where:
Base-Base interactions energy: -528.019
where: short stacking energy: -233.253
Base-Backbone interact. energy: 4.028
local terms energy: -234.684849
where:
bonds (distance) C4'-P energy: -39.314
bonds (distance) P-C4' energy: -45.446
flat angles C4'-P-C4' energy: -49.940
flat angles P-C4'-P energy: -36.840
tors. eta vs tors. theta energy: -63.146
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: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -732.051553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.051553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.051553 (E_RNA)
where:
Base-Base interactions energy: -487.325
where: short stacking energy: -197.279
Base-Backbone interact. energy: -0.765
local terms energy: -243.961334
where:
bonds (distance) C4'-P energy: -52.957
bonds (distance) P-C4' energy: -54.282
flat angles C4'-P-C4' energy: -49.416
flat angles P-C4'-P energy: -28.197
tors. eta vs tors. theta energy: -59.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -492.933560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.933560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.933560 (E_RNA)
where:
Base-Base interactions energy: -305.160
where: short stacking energy: -146.462
Base-Backbone interact. energy: 3.887
local terms energy: -191.661102
where:
bonds (distance) C4'-P energy: -44.883
bonds (distance) P-C4' energy: -34.764
flat angles C4'-P-C4' energy: -54.432
flat angles P-C4'-P energy: -30.929
tors. eta vs tors. theta energy: -26.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -269.103973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.103973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.103973 (E_RNA)
where:
Base-Base interactions energy: -136.050
where: short stacking energy: -89.608
Base-Backbone interact. energy: 0.022
local terms energy: -133.076366
where:
bonds (distance) C4'-P energy: -39.557
bonds (distance) P-C4' energy: -45.589
flat angles C4'-P-C4' energy: -26.679
flat angles P-C4'-P energy: -21.241
tors. eta vs tors. theta energy: -0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -975.185209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.185209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.185209 (E_RNA)
where:
Base-Base interactions energy: -669.625
where: short stacking energy: -299.724
Base-Backbone interact. energy: -1.270
local terms energy: -304.289772
where:
bonds (distance) C4'-P energy: -50.520
bonds (distance) P-C4' energy: -57.285
flat angles C4'-P-C4' energy: -59.377
flat angles P-C4'-P energy: -49.467
tors. eta vs tors. theta energy: -87.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -926.028732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.028732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.028732 (E_RNA)
where:
Base-Base interactions energy: -667.485
where: short stacking energy: -281.354
Base-Backbone interact. energy: -0.495
local terms energy: -258.049447
where:
bonds (distance) C4'-P energy: -41.013
bonds (distance) P-C4' energy: -47.600
flat angles C4'-P-C4' energy: -61.126
flat angles P-C4'-P energy: -33.916
tors. eta vs tors. theta energy: -74.396
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: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -924.353687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.353687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.353687 (E_RNA)
where:
Base-Base interactions energy: -648.715
where: short stacking energy: -269.270
Base-Backbone interact. energy: -1.039
local terms energy: -274.599537
where:
bonds (distance) C4'-P energy: -39.259
bonds (distance) P-C4' energy: -56.634
flat angles C4'-P-C4' energy: -55.446
flat angles P-C4'-P energy: -45.534
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: 4, replica: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -886.233495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.233495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.233495 (E_RNA)
where:
Base-Base interactions energy: -615.301
where: short stacking energy: -255.578
Base-Backbone interact. energy: -1.505
local terms energy: -269.428051
where:
bonds (distance) C4'-P energy: -51.109
bonds (distance) P-C4' energy: -46.777
flat angles C4'-P-C4' energy: -50.220
flat angles P-C4'-P energy: -37.918
tors. eta vs tors. theta energy: -83.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -854.069933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.069933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.069933 (E_RNA)
where:
Base-Base interactions energy: -588.977
where: short stacking energy: -265.578
Base-Backbone interact. energy: -0.249
local terms energy: -264.843869
where:
bonds (distance) C4'-P energy: -38.551
bonds (distance) P-C4' energy: -49.904
flat angles C4'-P-C4' energy: -57.984
flat angles P-C4'-P energy: -36.574
tors. eta vs tors. theta energy: -81.831
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: 6, replica: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -773.156900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.156900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.156900 (E_RNA)
where:
Base-Base interactions energy: -528.183
where: short stacking energy: -232.802
Base-Backbone interact. energy: -1.860
local terms energy: -243.114301
where:
bonds (distance) C4'-P energy: -40.268
bonds (distance) P-C4' energy: -49.003
flat angles C4'-P-C4' energy: -50.214
flat angles P-C4'-P energy: -38.537
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: 7, replica: 1
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -758.429351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.429351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.429351 (E_RNA)
where:
Base-Base interactions energy: -530.647
where: short stacking energy: -217.091
Base-Backbone interact. energy: 1.576
local terms energy: -229.357704
where:
bonds (distance) C4'-P energy: -47.379
bonds (distance) P-C4' energy: -33.536
flat angles C4'-P-C4' energy: -60.054
flat angles P-C4'-P energy: -31.735
tors. eta vs tors. theta energy: -56.654
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: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -728.406041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.406041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.406041 (E_RNA)
where:
Base-Base interactions energy: -505.777
where: short stacking energy: -202.524
Base-Backbone interact. energy: -0.635
local terms energy: -221.994051
where:
bonds (distance) C4'-P energy: -45.191
bonds (distance) P-C4' energy: -44.304
flat angles C4'-P-C4' energy: -55.369
flat angles P-C4'-P energy: -32.522
tors. eta vs tors. theta energy: -44.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -479.074740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.074740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.074740 (E_RNA)
where:
Base-Base interactions energy: -286.798
where: short stacking energy: -145.517
Base-Backbone interact. energy: -0.946
local terms energy: -191.331488
where:
bonds (distance) C4'-P energy: -50.676
bonds (distance) P-C4' energy: -37.540
flat angles C4'-P-C4' energy: -47.631
flat angles P-C4'-P energy: -28.966
tors. eta vs tors. theta energy: -26.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -292.493608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.493608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.493608 (E_RNA)
where:
Base-Base interactions energy: -130.203
where: short stacking energy: -68.257
Base-Backbone interact. energy: 5.598
local terms energy: -167.888568
where:
bonds (distance) C4'-P energy: -50.865
bonds (distance) P-C4' energy: -53.261
flat angles C4'-P-C4' energy: -43.146
flat angles P-C4'-P energy: -22.592
tors. eta vs tors. theta energy: 1.976
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: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -958.758465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.758465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.758465 (E_RNA)
where:
Base-Base interactions energy: -667.019
where: short stacking energy: -284.857
Base-Backbone interact. energy: -1.219
local terms energy: -290.520497
where:
bonds (distance) C4'-P energy: -46.487
bonds (distance) P-C4' energy: -56.789
flat angles C4'-P-C4' energy: -57.586
flat angles P-C4'-P energy: -44.983
tors. eta vs tors. theta energy: -84.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -956.552446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.552446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.552446 (E_RNA)
where:
Base-Base interactions energy: -671.117
where: short stacking energy: -283.602
Base-Backbone interact. energy: -0.470
local terms energy: -284.965698
where:
bonds (distance) C4'-P energy: -49.749
bonds (distance) P-C4' energy: -50.852
flat angles C4'-P-C4' energy: -58.469
flat angles P-C4'-P energy: -41.334
tors. eta vs tors. theta energy: -84.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -922.325740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.325740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.325740 (E_RNA)
where:
Base-Base interactions energy: -636.826
where: short stacking energy: -276.093
Base-Backbone interact. energy: -0.855
local terms energy: -284.644831
where:
bonds (distance) C4'-P energy: -52.832
bonds (distance) P-C4' energy: -49.355
flat angles C4'-P-C4' energy: -57.392
flat angles P-C4'-P energy: -42.956
tors. eta vs tors. theta energy: -82.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -865.287513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.287513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.287513 (E_RNA)
where:
Base-Base interactions energy: -595.905
where: short stacking energy: -264.185
Base-Backbone interact. energy: -1.643
local terms energy: -267.738830
where:
bonds (distance) C4'-P energy: -45.478
bonds (distance) P-C4' energy: -46.253
flat angles C4'-P-C4' energy: -58.383
flat angles P-C4'-P energy: -40.512
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: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -855.240455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.240455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.240455 (E_RNA)
where:
Base-Base interactions energy: -588.743
where: short stacking energy: -257.394
Base-Backbone interact. energy: -0.204
local terms energy: -266.293433
where:
bonds (distance) C4'-P energy: -50.501
bonds (distance) P-C4' energy: -54.018
flat angles C4'-P-C4' energy: -52.710
flat angles P-C4'-P energy: -31.597
tors. eta vs tors. theta energy: -77.467
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: 3
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -759.295714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.295714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.295714 (E_RNA)
where:
Base-Base interactions energy: -522.943
where: short stacking energy: -231.280
Base-Backbone interact. energy: -0.371
local terms energy: -235.981979
where:
bonds (distance) C4'-P energy: -43.334
bonds (distance) P-C4' energy: -47.385
flat angles C4'-P-C4' energy: -51.210
flat angles P-C4'-P energy: -33.155
tors. eta vs tors. theta energy: -60.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -747.330987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.330987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.330987 (E_RNA)
where:
Base-Base interactions energy: -497.325
where: short stacking energy: -219.671
Base-Backbone interact. energy: -0.178
local terms energy: -249.827871
where:
bonds (distance) C4'-P energy: -49.649
bonds (distance) P-C4' energy: -43.572
flat angles C4'-P-C4' energy: -52.928
flat angles P-C4'-P energy: -34.756
tors. eta vs tors. theta energy: -68.923
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: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -735.628178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.628178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.628178 (E_RNA)
where:
Base-Base interactions energy: -517.979
where: short stacking energy: -207.570
Base-Backbone interact. energy: -1.389
local terms energy: -216.260834
where:
bonds (distance) C4'-P energy: -30.053
bonds (distance) P-C4' energy: -49.984
flat angles C4'-P-C4' energy: -42.531
flat angles P-C4'-P energy: -32.534
tors. eta vs tors. theta energy: -61.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -437.824832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.824832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.824832 (E_RNA)
where:
Base-Base interactions energy: -272.349
where: short stacking energy: -136.880
Base-Backbone interact. energy: 0.572
local terms energy: -166.047248
where:
bonds (distance) C4'-P energy: -32.979
bonds (distance) P-C4' energy: -43.074
flat angles C4'-P-C4' energy: -52.360
flat angles P-C4'-P energy: -19.025
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -293.825363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.825363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.825363 (E_RNA)
where:
Base-Base interactions energy: -129.688
where: short stacking energy: -86.460
Base-Backbone interact. energy: -0.934
local terms energy: -163.203306
where:
bonds (distance) C4'-P energy: -40.754
bonds (distance) P-C4' energy: -54.288
flat angles C4'-P-C4' energy: -46.837
flat angles P-C4'-P energy: -20.683
tors. eta vs tors. theta energy: -0.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -935.056902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.056902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.056902 (E_RNA)
where:
Base-Base interactions energy: -637.637
where: short stacking energy: -270.330
Base-Backbone interact. energy: -1.141
local terms energy: -296.278771
where:
bonds (distance) C4'-P energy: -54.006
bonds (distance) P-C4' energy: -60.321
flat angles C4'-P-C4' energy: -60.443
flat angles P-C4'-P energy: -39.842
tors. eta vs tors. theta energy: -81.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -960.433068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.433068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.433068 (E_RNA)
where:
Base-Base interactions energy: -664.453
where: short stacking energy: -292.071
Base-Backbone interact. energy: -0.562
local terms energy: -295.417395
where:
bonds (distance) C4'-P energy: -49.380
bonds (distance) P-C4' energy: -53.120
flat angles C4'-P-C4' energy: -61.388
flat angles P-C4'-P energy: -46.171
tors. eta vs tors. theta energy: -85.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -943.154313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.154313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.154313 (E_RNA)
where:
Base-Base interactions energy: -647.975
where: short stacking energy: -286.082
Base-Backbone interact. energy: 0.118
local terms energy: -295.296756
where:
bonds (distance) C4'-P energy: -50.220
bonds (distance) P-C4' energy: -45.533
flat angles C4'-P-C4' energy: -63.580
flat angles P-C4'-P energy: -47.862
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: 4, replica: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -858.334984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.334984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.334984 (E_RNA)
where:
Base-Base interactions energy: -598.070
where: short stacking energy: -257.875
Base-Backbone interact. energy: -1.255
local terms energy: -259.010406
where:
bonds (distance) C4'-P energy: -47.765
bonds (distance) P-C4' energy: -45.715
flat angles C4'-P-C4' energy: -52.197
flat angles P-C4'-P energy: -39.813
tors. eta vs tors. theta energy: -73.520
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: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -868.276074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.276074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.276074 (E_RNA)
where:
Base-Base interactions energy: -590.792
where: short stacking energy: -255.612
Base-Backbone interact. energy: -0.672
local terms energy: -276.812354
where:
bonds (distance) C4'-P energy: -47.381
bonds (distance) P-C4' energy: -51.735
flat angles C4'-P-C4' energy: -56.654
flat angles P-C4'-P energy: -42.814
tors. eta vs tors. theta energy: -78.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -781.988756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.988756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.988756 (E_RNA)
where:
Base-Base interactions energy: -539.200
where: short stacking energy: -232.236
Base-Backbone interact. energy: -0.610
local terms energy: -242.178725
where:
bonds (distance) C4'-P energy: -47.109
bonds (distance) P-C4' energy: -47.446
flat angles C4'-P-C4' energy: -54.903
flat angles P-C4'-P energy: -29.847
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: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -735.387900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.387900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.387900 (E_RNA)
where:
Base-Base interactions energy: -499.796
where: short stacking energy: -217.841
Base-Backbone interact. energy: 1.047
local terms energy: -236.639526
where:
bonds (distance) C4'-P energy: -41.004
bonds (distance) P-C4' energy: -38.111
flat angles C4'-P-C4' energy: -57.408
flat angles P-C4'-P energy: -33.719
tors. eta vs tors. theta energy: -66.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -694.438249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.438249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.438249 (E_RNA)
where:
Base-Base interactions energy: -488.758
where: short stacking energy: -216.491
Base-Backbone interact. energy: 0.138
local terms energy: -205.818699
where:
bonds (distance) C4'-P energy: -43.835
bonds (distance) P-C4' energy: -31.277
flat angles C4'-P-C4' energy: -50.633
flat angles P-C4'-P energy: -23.644
tors. eta vs tors. theta energy: -56.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -409.420372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.420372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.420372 (E_RNA)
where:
Base-Base interactions energy: -228.798
where: short stacking energy: -122.155
Base-Backbone interact. energy: 0.285
local terms energy: -180.907485
where:
bonds (distance) C4'-P energy: -44.125
bonds (distance) P-C4' energy: -44.329
flat angles C4'-P-C4' energy: -45.346
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -26.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -299.384656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.384656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.384656 (E_RNA)
where:
Base-Base interactions energy: -149.194
where: short stacking energy: -93.833
Base-Backbone interact. energy: -1.338
local terms energy: -148.852662
where:
bonds (distance) C4'-P energy: -37.173
bonds (distance) P-C4' energy: -39.653
flat angles C4'-P-C4' energy: -35.882
flat angles P-C4'-P energy: -28.199
tors. eta vs tors. theta energy: -7.944
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: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -959.561846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.561846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.561846 (E_RNA)
where:
Base-Base interactions energy: -673.273
where: short stacking energy: -291.208
Base-Backbone interact. energy: -2.037
local terms energy: -284.252114
where:
bonds (distance) C4'-P energy: -55.269
bonds (distance) P-C4' energy: -50.248
flat angles C4'-P-C4' energy: -60.703
flat angles P-C4'-P energy: -36.163
tors. eta vs tors. theta energy: -81.869
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: 2, replica: 5
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -931.381180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.381180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.381180 (E_RNA)
where:
Base-Base interactions energy: -646.559
where: short stacking energy: -282.670
Base-Backbone interact. energy: -0.482
local terms energy: -284.340297
where:
bonds (distance) C4'-P energy: -49.523
bonds (distance) P-C4' energy: -52.195
flat angles C4'-P-C4' energy: -60.684
flat angles P-C4'-P energy: -41.937
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: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -927.631169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.631169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.631169 (E_RNA)
where:
Base-Base interactions energy: -637.648
where: short stacking energy: -279.470
Base-Backbone interact. energy: -1.331
local terms energy: -288.651921
where:
bonds (distance) C4'-P energy: -51.504
bonds (distance) P-C4' energy: -50.960
flat angles C4'-P-C4' energy: -54.016
flat angles P-C4'-P energy: -47.023
tors. eta vs tors. theta energy: -85.149
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: 4, replica: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -856.117718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.117718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.117718 (E_RNA)
where:
Base-Base interactions energy: -596.419
where: short stacking energy: -274.996
Base-Backbone interact. energy: -0.490
local terms energy: -259.208722
where:
bonds (distance) C4'-P energy: -41.282
bonds (distance) P-C4' energy: -53.593
flat angles C4'-P-C4' energy: -54.028
flat angles P-C4'-P energy: -28.947
tors. eta vs tors. theta energy: -81.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -832.303377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.303377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.303377 (E_RNA)
where:
Base-Base interactions energy: -566.484
where: short stacking energy: -253.178
Base-Backbone interact. energy: 1.102
local terms energy: -266.920792
where:
bonds (distance) C4'-P energy: -43.761
bonds (distance) P-C4' energy: -48.660
flat angles C4'-P-C4' energy: -56.877
flat angles P-C4'-P energy: -40.628
tors. eta vs tors. theta energy: -76.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -762.584669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.584669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.584669 (E_RNA)
where:
Base-Base interactions energy: -527.500
where: short stacking energy: -234.983
Base-Backbone interact. energy: 2.772
local terms energy: -237.856848
where:
bonds (distance) C4'-P energy: -40.292
bonds (distance) P-C4' energy: -43.809
flat angles C4'-P-C4' energy: -50.925
flat angles P-C4'-P energy: -35.531
tors. eta vs tors. theta energy: -67.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -715.659398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.659398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.659398 (E_RNA)
where:
Base-Base interactions energy: -483.802
where: short stacking energy: -202.780
Base-Backbone interact. energy: 0.319
local terms energy: -232.176868
where:
bonds (distance) C4'-P energy: -50.107
bonds (distance) P-C4' energy: -53.078
flat angles C4'-P-C4' energy: -47.836
flat angles P-C4'-P energy: -31.214
tors. eta vs tors. theta energy: -49.941
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: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -736.718606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.718606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.718606 (E_RNA)
where:
Base-Base interactions energy: -494.963
where: short stacking energy: -211.228
Base-Backbone interact. energy: 0.554
local terms energy: -242.308974
where:
bonds (distance) C4'-P energy: -41.704
bonds (distance) P-C4' energy: -49.528
flat angles C4'-P-C4' energy: -46.866
flat angles P-C4'-P energy: -46.338
tors. eta vs tors. theta energy: -57.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -280.901614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.901614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.901614 (E_RNA)
where:
Base-Base interactions energy: -137.962
where: short stacking energy: -96.388
Base-Backbone interact. energy: 0.429
local terms energy: -143.368837
where:
bonds (distance) C4'-P energy: -39.700
bonds (distance) P-C4' energy: -47.230
flat angles C4'-P-C4' energy: -30.753
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: -7.752
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: 408
Temperature: 1.350000
Total energy: -394.292746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.292746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.292746 (E_RNA)
where:
Base-Base interactions energy: -226.609
where: short stacking energy: -112.139
Base-Backbone interact. energy: -0.192
local terms energy: -167.492150
where:
bonds (distance) C4'-P energy: -47.278
bonds (distance) P-C4' energy: -40.739
flat angles C4'-P-C4' energy: -37.441
flat angles P-C4'-P energy: -27.425
tors. eta vs tors. theta energy: -14.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -973.503325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.503325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.503325 (E_RNA)
where:
Base-Base interactions energy: -670.383
where: short stacking energy: -299.421
Base-Backbone interact. energy: -0.077
local terms energy: -303.043326
where:
bonds (distance) C4'-P energy: -57.948
bonds (distance) P-C4' energy: -54.180
flat angles C4'-P-C4' energy: -60.080
flat angles P-C4'-P energy: -45.609
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: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -969.142991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.142991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.142991 (E_RNA)
where:
Base-Base interactions energy: -667.731
where: short stacking energy: -293.729
Base-Backbone interact. energy: -0.632
local terms energy: -300.779468
where:
bonds (distance) C4'-P energy: -53.740
bonds (distance) P-C4' energy: -58.479
flat angles C4'-P-C4' energy: -54.959
flat angles P-C4'-P energy: -43.015
tors. eta vs tors. theta energy: -90.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -908.190417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.190417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.190417 (E_RNA)
where:
Base-Base interactions energy: -625.061
where: short stacking energy: -265.853
Base-Backbone interact. energy: -0.746
local terms energy: -282.383876
where:
bonds (distance) C4'-P energy: -46.417
bonds (distance) P-C4' energy: -59.252
flat angles C4'-P-C4' energy: -57.744
flat angles P-C4'-P energy: -39.042
tors. eta vs tors. theta energy: -79.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -897.009214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.009214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.009214 (E_RNA)
where:
Base-Base interactions energy: -609.999
where: short stacking energy: -258.955
Base-Backbone interact. energy: -0.241
local terms energy: -286.769417
where:
bonds (distance) C4'-P energy: -54.285
bonds (distance) P-C4' energy: -47.347
flat angles C4'-P-C4' energy: -60.846
flat angles P-C4'-P energy: -44.291
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: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -836.069734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.069734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.069734 (E_RNA)
where:
Base-Base interactions energy: -569.528
where: short stacking energy: -246.641
Base-Backbone interact. energy: -1.464
local terms energy: -265.077950
where:
bonds (distance) C4'-P energy: -41.680
bonds (distance) P-C4' energy: -48.591
flat angles C4'-P-C4' energy: -62.117
flat angles P-C4'-P energy: -43.339
tors. eta vs tors. theta energy: -69.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -779.397867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.397867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.397867 (E_RNA)
where:
Base-Base interactions energy: -537.578
where: short stacking energy: -244.098
Base-Backbone interact. energy: 0.357
local terms energy: -242.176721
where:
bonds (distance) C4'-P energy: -50.104
bonds (distance) P-C4' energy: -36.054
flat angles C4'-P-C4' energy: -57.261
flat angles P-C4'-P energy: -33.754
tors. eta vs tors. theta energy: -65.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -775.026122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.026122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.026122 (E_RNA)
where:
Base-Base interactions energy: -521.367
where: short stacking energy: -211.392
Base-Backbone interact. energy: -0.614
local terms energy: -253.045334
where:
bonds (distance) C4'-P energy: -43.075
bonds (distance) P-C4' energy: -53.113
flat angles C4'-P-C4' energy: -55.201
flat angles P-C4'-P energy: -35.517
tors. eta vs tors. theta energy: -66.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -742.627368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.627368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.627368 (E_RNA)
where:
Base-Base interactions energy: -505.254
where: short stacking energy: -219.353
Base-Backbone interact. energy: 0.801
local terms energy: -238.173878
where:
bonds (distance) C4'-P energy: -33.211
bonds (distance) P-C4' energy: -53.646
flat angles C4'-P-C4' energy: -53.094
flat angles P-C4'-P energy: -32.194
tors. eta vs tors. theta energy: -66.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -284.715408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.715408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.715408 (E_RNA)
where:
Base-Base interactions energy: -122.769
where: short stacking energy: -71.657
Base-Backbone interact. energy: -0.170
local terms energy: -161.776717
where:
bonds (distance) C4'-P energy: -47.234
bonds (distance) P-C4' energy: -41.192
flat angles C4'-P-C4' energy: -38.482
flat angles P-C4'-P energy: -28.290
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -393.500559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.500559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.500559 (E_RNA)
where:
Base-Base interactions energy: -217.594
where: short stacking energy: -106.953
Base-Backbone interact. energy: -2.180
local terms energy: -173.727275
where:
bonds (distance) C4'-P energy: -47.288
bonds (distance) P-C4' energy: -50.979
flat angles C4'-P-C4' energy: -41.219
flat angles P-C4'-P energy: -18.866
tors. eta vs tors. theta energy: -15.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -944.035373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.035373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.035373 (E_RNA)
where:
Base-Base interactions energy: -658.488
where: short stacking energy: -287.127
Base-Backbone interact. energy: -0.833
local terms energy: -284.714155
where:
bonds (distance) C4'-P energy: -52.653
bonds (distance) P-C4' energy: -44.924
flat angles C4'-P-C4' energy: -60.779
flat angles P-C4'-P energy: -39.691
tors. eta vs tors. theta energy: -86.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -948.650236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.650236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.650236 (E_RNA)
where:
Base-Base interactions energy: -659.269
where: short stacking energy: -281.931
Base-Backbone interact. energy: -0.848
local terms energy: -288.532855
where:
bonds (distance) C4'-P energy: -49.058
bonds (distance) P-C4' energy: -49.560
flat angles C4'-P-C4' energy: -64.933
flat angles P-C4'-P energy: -41.203
tors. eta vs tors. theta energy: -83.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -926.249096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.249096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.249096 (E_RNA)
where:
Base-Base interactions energy: -644.627
where: short stacking energy: -273.375
Base-Backbone interact. energy: -0.403
local terms energy: -281.218971
where:
bonds (distance) C4'-P energy: -46.438
bonds (distance) P-C4' energy: -60.079
flat angles C4'-P-C4' energy: -55.010
flat angles P-C4'-P energy: -41.329
tors. eta vs tors. theta energy: -78.362
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: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -881.253436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.253436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.253436 (E_RNA)
where:
Base-Base interactions energy: -622.259
where: short stacking energy: -261.699
Base-Backbone interact. energy: -0.823
local terms energy: -258.171391
where:
bonds (distance) C4'-P energy: -44.015
bonds (distance) P-C4' energy: -53.206
flat angles C4'-P-C4' energy: -55.500
flat angles P-C4'-P energy: -29.002
tors. eta vs tors. theta energy: -76.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -839.453169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.453169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.453169 (E_RNA)
where:
Base-Base interactions energy: -598.910
where: short stacking energy: -253.759
Base-Backbone interact. energy: -0.986
local terms energy: -239.557134
where:
bonds (distance) C4'-P energy: -42.724
bonds (distance) P-C4' energy: -37.640
flat angles C4'-P-C4' energy: -54.548
flat angles P-C4'-P energy: -41.816
tors. eta vs tors. theta energy: -62.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -790.299361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.299361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.299361 (E_RNA)
where:
Base-Base interactions energy: -553.309
where: short stacking energy: -249.241
Base-Backbone interact. energy: -0.285
local terms energy: -236.705998
where:
bonds (distance) C4'-P energy: -43.763
bonds (distance) P-C4' energy: -45.513
flat angles C4'-P-C4' energy: -52.053
flat angles P-C4'-P energy: -32.744
tors. eta vs tors. theta energy: -62.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -762.026718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.026718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.026718 (E_RNA)
where:
Base-Base interactions energy: -529.810
where: short stacking energy: -227.704
Base-Backbone interact. energy: -0.442
local terms energy: -231.774733
where:
bonds (distance) C4'-P energy: -38.955
bonds (distance) P-C4' energy: -43.724
flat angles C4'-P-C4' energy: -48.206
flat angles P-C4'-P energy: -33.605
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: 8, replica: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -718.746218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.746218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.746218 (E_RNA)
where:
Base-Base interactions energy: -485.497
where: short stacking energy: -220.813
Base-Backbone interact. energy: -0.575
local terms energy: -232.674224
where:
bonds (distance) C4'-P energy: -41.484
bonds (distance) P-C4' energy: -57.444
flat angles C4'-P-C4' energy: -40.301
flat angles P-C4'-P energy: -26.946
tors. eta vs tors. theta energy: -66.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -384.341661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.341661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.341661 (E_RNA)
where:
Base-Base interactions energy: -207.852
where: short stacking energy: -98.496
Base-Backbone interact. energy: 2.046
local terms energy: -178.536364
where:
bonds (distance) C4'-P energy: -55.181
bonds (distance) P-C4' energy: -41.656
flat angles C4'-P-C4' energy: -34.679
flat angles P-C4'-P energy: -31.977
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -269.071320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.071320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.071320 (E_RNA)
where:
Base-Base interactions energy: -125.120
where: short stacking energy: -63.129
Base-Backbone interact. energy: 3.710
local terms energy: -147.661484
where:
bonds (distance) C4'-P energy: -43.115
bonds (distance) P-C4' energy: -43.871
flat angles C4'-P-C4' energy: -43.283
flat angles P-C4'-P energy: -23.726
tors. eta vs tors. theta energy: 6.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -977.477592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.477592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.477592 (E_RNA)
where:
Base-Base interactions energy: -662.951
where: short stacking energy: -291.875
Base-Backbone interact. energy: -0.890
local terms energy: -313.636951
where:
bonds (distance) C4'-P energy: -58.631
bonds (distance) P-C4' energy: -56.882
flat angles C4'-P-C4' energy: -67.392
flat angles P-C4'-P energy: -44.239
tors. eta vs tors. theta energy: -86.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -973.304725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.304725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.304725 (E_RNA)
where:
Base-Base interactions energy: -676.056
where: short stacking energy: -293.638
Base-Backbone interact. energy: -1.301
local terms energy: -295.947319
where:
bonds (distance) C4'-P energy: -48.506
bonds (distance) P-C4' energy: -47.342
flat angles C4'-P-C4' energy: -61.022
flat angles P-C4'-P energy: -45.962
tors. eta vs tors. theta energy: -93.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -918.468430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.468430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.468430 (E_RNA)
where:
Base-Base interactions energy: -654.671
where: short stacking energy: -276.683
Base-Backbone interact. energy: 0.889
local terms energy: -264.685884
where:
bonds (distance) C4'-P energy: -46.075
bonds (distance) P-C4' energy: -36.750
flat angles C4'-P-C4' energy: -57.921
flat angles P-C4'-P energy: -42.329
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: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -887.301259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.301259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.301259 (E_RNA)
where:
Base-Base interactions energy: -617.768
where: short stacking energy: -258.895
Base-Backbone interact. energy: -0.823
local terms energy: -268.710272
where:
bonds (distance) C4'-P energy: -49.045
bonds (distance) P-C4' energy: -47.326
flat angles C4'-P-C4' energy: -51.993
flat angles P-C4'-P energy: -48.242
tors. eta vs tors. theta energy: -72.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -829.098818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.098818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.098818 (E_RNA)
where:
Base-Base interactions energy: -575.730
where: short stacking energy: -243.189
Base-Backbone interact. energy: -1.110
local terms energy: -252.258360
where:
bonds (distance) C4'-P energy: -50.146
bonds (distance) P-C4' energy: -45.486
flat angles C4'-P-C4' energy: -53.430
flat angles P-C4'-P energy: -37.701
tors. eta vs tors. theta energy: -65.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -796.122145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.122145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.122145 (E_RNA)
where:
Base-Base interactions energy: -552.936
where: short stacking energy: -233.704
Base-Backbone interact. energy: -0.272
local terms energy: -242.915017
where:
bonds (distance) C4'-P energy: -44.261
bonds (distance) P-C4' energy: -49.027
flat angles C4'-P-C4' energy: -52.925
flat angles P-C4'-P energy: -34.505
tors. eta vs tors. theta energy: -62.197
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: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -771.812357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.812357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.812357 (E_RNA)
where:
Base-Base interactions energy: -532.029
where: short stacking energy: -233.719
Base-Backbone interact. energy: -0.571
local terms energy: -239.212639
where:
bonds (distance) C4'-P energy: -37.695
bonds (distance) P-C4' energy: -48.076
flat angles C4'-P-C4' energy: -51.334
flat angles P-C4'-P energy: -34.213
tors. eta vs tors. theta energy: -67.895
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: 6
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -718.271689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.271689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.271689 (E_RNA)
where:
Base-Base interactions energy: -475.229
where: short stacking energy: -195.753
Base-Backbone interact. energy: -0.494
local terms energy: -242.548575
where:
bonds (distance) C4'-P energy: -53.955
bonds (distance) P-C4' energy: -45.864
flat angles C4'-P-C4' energy: -52.585
flat angles P-C4'-P energy: -37.729
tors. eta vs tors. theta energy: -52.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -436.156483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.156483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.156483 (E_RNA)
where:
Base-Base interactions energy: -249.862
where: short stacking energy: -136.129
Base-Backbone interact. energy: -0.269
local terms energy: -186.025610
where:
bonds (distance) C4'-P energy: -40.235
bonds (distance) P-C4' energy: -40.663
flat angles C4'-P-C4' energy: -51.409
flat angles P-C4'-P energy: -23.725
tors. eta vs tors. theta energy: -29.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -244.593539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.593539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.593539 (E_RNA)
where:
Base-Base interactions energy: -91.196
where: short stacking energy: -65.967
Base-Backbone interact. energy: 0.450
local terms energy: -153.847243
where:
bonds (distance) C4'-P energy: -43.764
bonds (distance) P-C4' energy: -44.483
flat angles C4'-P-C4' energy: -42.741
flat angles P-C4'-P energy: -26.926
tors. eta vs tors. theta energy: 4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -979.262639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.262639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.262639 (E_RNA)
where:
Base-Base interactions energy: -677.278
where: short stacking energy: -293.618
Base-Backbone interact. energy: -0.980
local terms energy: -301.003951
where:
bonds (distance) C4'-P energy: -55.186
bonds (distance) P-C4' energy: -45.858
flat angles C4'-P-C4' energy: -64.868
flat angles P-C4'-P energy: -49.300
tors. eta vs tors. theta energy: -85.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -944.993831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.993831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.993831 (E_RNA)
where:
Base-Base interactions energy: -662.417
where: short stacking energy: -277.587
Base-Backbone interact. energy: 1.074
local terms energy: -283.651241
where:
bonds (distance) C4'-P energy: -40.698
bonds (distance) P-C4' energy: -52.344
flat angles C4'-P-C4' energy: -60.965
flat angles P-C4'-P energy: -40.842
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: 3, replica: 5
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -936.010572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.010572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.010572 (E_RNA)
where:
Base-Base interactions energy: -659.654
where: short stacking energy: -281.283
Base-Backbone interact. energy: -0.436
local terms energy: -275.920042
where:
bonds (distance) C4'-P energy: -48.702
bonds (distance) P-C4' energy: -44.751
flat angles C4'-P-C4' energy: -55.810
flat angles P-C4'-P energy: -42.491
tors. eta vs tors. theta energy: -84.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -865.018105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.018105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.018105 (E_RNA)
where:
Base-Base interactions energy: -608.469
where: short stacking energy: -264.100
Base-Backbone interact. energy: -0.744
local terms energy: -255.805476
where:
bonds (distance) C4'-P energy: -43.545
bonds (distance) P-C4' energy: -44.848
flat angles C4'-P-C4' energy: -59.875
flat angles P-C4'-P energy: -35.407
tors. eta vs tors. theta energy: -72.131
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: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -824.219649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.219649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.219649 (E_RNA)
where:
Base-Base interactions energy: -585.306
where: short stacking energy: -264.489
Base-Backbone interact. energy: 3.302
local terms energy: -242.215592
where:
bonds (distance) C4'-P energy: -54.401
bonds (distance) P-C4' energy: -38.573
flat angles C4'-P-C4' energy: -51.724
flat angles P-C4'-P energy: -30.336
tors. eta vs tors. theta energy: -67.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -792.348399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.348399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.348399 (E_RNA)
where:
Base-Base interactions energy: -565.043
where: short stacking energy: -241.741
Base-Backbone interact. energy: -0.211
local terms energy: -227.094676
where:
bonds (distance) C4'-P energy: -45.219
bonds (distance) P-C4' energy: -48.831
flat angles C4'-P-C4' energy: -47.182
flat angles P-C4'-P energy: -26.581
tors. eta vs tors. theta energy: -59.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -753.062141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.062141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.062141 (E_RNA)
where:
Base-Base interactions energy: -524.682
where: short stacking energy: -223.372
Base-Backbone interact. energy: 0.061
local terms energy: -228.441149
where:
bonds (distance) C4'-P energy: -33.875
bonds (distance) P-C4' energy: -44.730
flat angles C4'-P-C4' energy: -57.263
flat angles P-C4'-P energy: -36.561
tors. eta vs tors. theta energy: -56.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -742.510769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.510769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.510769 (E_RNA)
where:
Base-Base interactions energy: -517.823
where: short stacking energy: -211.624
Base-Backbone interact. energy: 2.954
local terms energy: -227.641966
where:
bonds (distance) C4'-P energy: -50.154
bonds (distance) P-C4' energy: -53.408
flat angles C4'-P-C4' energy: -45.869
flat angles P-C4'-P energy: -30.537
tors. eta vs tors. theta energy: -47.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -421.823369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.823369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.823369 (E_RNA)
where:
Base-Base interactions energy: -250.989
where: short stacking energy: -132.417
Base-Backbone interact. energy: -0.112
local terms energy: -170.722163
where:
bonds (distance) C4'-P energy: -40.784
bonds (distance) P-C4' energy: -39.861
flat angles C4'-P-C4' energy: -46.219
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: -28.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -220.494489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.494489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.494489 (E_RNA)
where:
Base-Base interactions energy: -60.023
where: short stacking energy: -56.425
Base-Backbone interact. energy: -1.077
local terms energy: -159.394610
where:
bonds (distance) C4'-P energy: -38.357
bonds (distance) P-C4' energy: -41.341
flat angles C4'-P-C4' energy: -53.156
flat angles P-C4'-P energy: -33.052
tors. eta vs tors. theta energy: 6.511
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: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -971.043137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.043137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.043137 (E_RNA)
where:
Base-Base interactions energy: -674.957
where: short stacking energy: -280.602
Base-Backbone interact. energy: -0.876
local terms energy: -295.210566
where:
bonds (distance) C4'-P energy: -55.788
bonds (distance) P-C4' energy: -52.903
flat angles C4'-P-C4' energy: -63.998
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -82.740
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: 4
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -944.218766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.218766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.218766 (E_RNA)
where:
Base-Base interactions energy: -658.899
where: short stacking energy: -287.070
Base-Backbone interact. energy: -0.871
local terms energy: -284.449001
where:
bonds (distance) C4'-P energy: -54.082
bonds (distance) P-C4' energy: -52.310
flat angles C4'-P-C4' energy: -58.646
flat angles P-C4'-P energy: -30.736
tors. eta vs tors. theta energy: -88.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -946.362557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.362557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.362557 (E_RNA)
where:
Base-Base interactions energy: -659.046
where: short stacking energy: -288.056
Base-Backbone interact. energy: -1.472
local terms energy: -285.844835
where:
bonds (distance) C4'-P energy: -56.586
bonds (distance) P-C4' energy: -43.176
flat angles C4'-P-C4' energy: -57.940
flat angles P-C4'-P energy: -41.969
tors. eta vs tors. theta energy: -86.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -856.984071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.984071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.984071 (E_RNA)
where:
Base-Base interactions energy: -585.414
where: short stacking energy: -250.160
Base-Backbone interact. energy: 0.644
local terms energy: -272.214152
where:
bonds (distance) C4'-P energy: -47.992
bonds (distance) P-C4' energy: -53.982
flat angles C4'-P-C4' energy: -50.934
flat angles P-C4'-P energy: -45.333
tors. eta vs tors. theta energy: -73.972
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: 7
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -820.554063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.554063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.554063 (E_RNA)
where:
Base-Base interactions energy: -561.530
where: short stacking energy: -230.796
Base-Backbone interact. energy: -0.493
local terms energy: -258.530812
where:
bonds (distance) C4'-P energy: -44.858
bonds (distance) P-C4' energy: -57.397
flat angles C4'-P-C4' energy: -52.973
flat angles P-C4'-P energy: -33.044
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: 6, replica: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -790.585952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.585952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.585952 (E_RNA)
where:
Base-Base interactions energy: -535.280
where: short stacking energy: -228.089
Base-Backbone interact. energy: -0.568
local terms energy: -254.738376
where:
bonds (distance) C4'-P energy: -43.356
bonds (distance) P-C4' energy: -49.464
flat angles C4'-P-C4' energy: -49.752
flat angles P-C4'-P energy: -39.501
tors. eta vs tors. theta energy: -72.666
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: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -774.155966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.155966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.155966 (E_RNA)
where:
Base-Base interactions energy: -533.890
where: short stacking energy: -220.115
Base-Backbone interact. energy: 1.437
local terms energy: -241.702573
where:
bonds (distance) C4'-P energy: -41.675
bonds (distance) P-C4' energy: -46.686
flat angles C4'-P-C4' energy: -59.791
flat angles P-C4'-P energy: -34.142
tors. eta vs tors. theta energy: -59.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -732.855803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.855803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.855803 (E_RNA)
where:
Base-Base interactions energy: -512.075
where: short stacking energy: -205.542
Base-Backbone interact. energy: 0.051
local terms energy: -220.831604
where:
bonds (distance) C4'-P energy: -39.782
bonds (distance) P-C4' energy: -44.581
flat angles C4'-P-C4' energy: -51.854
flat angles P-C4'-P energy: -29.196
tors. eta vs tors. theta energy: -55.419
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: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -427.838243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.838243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.838243 (E_RNA)
where:
Base-Base interactions energy: -246.736
where: short stacking energy: -114.513
Base-Backbone interact. energy: -0.507
local terms energy: -180.595799
where:
bonds (distance) C4'-P energy: -28.464
bonds (distance) P-C4' energy: -41.450
flat angles C4'-P-C4' energy: -54.287
flat angles P-C4'-P energy: -23.028
tors. eta vs tors. theta energy: -33.367
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: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -258.662441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.662441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.662441 (E_RNA)
where:
Base-Base interactions energy: -98.704
where: short stacking energy: -80.437
Base-Backbone interact. energy: 9.518
local terms energy: -169.476714
where:
bonds (distance) C4'-P energy: -41.944
bonds (distance) P-C4' energy: -44.451
flat angles C4'-P-C4' energy: -47.160
flat angles P-C4'-P energy: -25.525
tors. eta vs tors. theta energy: -10.396
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: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -975.099096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.099096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.099096 (E_RNA)
where:
Base-Base interactions energy: -682.301
where: short stacking energy: -283.610
Base-Backbone interact. energy: -1.461
local terms energy: -291.337487
where:
bonds (distance) C4'-P energy: -53.913
bonds (distance) P-C4' energy: -52.350
flat angles C4'-P-C4' energy: -57.658
flat angles P-C4'-P energy: -44.730
tors. eta vs tors. theta energy: -82.687
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: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -923.276245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.276245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.276245 (E_RNA)
where:
Base-Base interactions energy: -649.520
where: short stacking energy: -266.127
Base-Backbone interact. energy: -1.785
local terms energy: -271.971543
where:
bonds (distance) C4'-P energy: -51.986
bonds (distance) P-C4' energy: -47.979
flat angles C4'-P-C4' energy: -56.882
flat angles P-C4'-P energy: -39.077
tors. eta vs tors. theta energy: -76.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -932.336365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.336365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.336365 (E_RNA)
where:
Base-Base interactions energy: -656.889
where: short stacking energy: -282.803
Base-Backbone interact. energy: 0.367
local terms energy: -275.814220
where:
bonds (distance) C4'-P energy: -56.049
bonds (distance) P-C4' energy: -50.017
flat angles C4'-P-C4' energy: -55.296
flat angles P-C4'-P energy: -34.767
tors. eta vs tors. theta energy: -79.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -912.051448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.051448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.051448 (E_RNA)
where:
Base-Base interactions energy: -637.037
where: short stacking energy: -266.443
Base-Backbone interact. energy: -1.309
local terms energy: -273.705984
where:
bonds (distance) C4'-P energy: -34.656
bonds (distance) P-C4' energy: -46.317
flat angles C4'-P-C4' energy: -61.953
flat angles P-C4'-P energy: -50.008
tors. eta vs tors. theta energy: -80.772
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: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -810.346167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.346167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.346167 (E_RNA)
where:
Base-Base interactions energy: -541.049
where: short stacking energy: -226.561
Base-Backbone interact. energy: -1.248
local terms energy: -268.048241
where:
bonds (distance) C4'-P energy: -51.987
bonds (distance) P-C4' energy: -48.484
flat angles C4'-P-C4' energy: -54.797
flat angles P-C4'-P energy: -46.309
tors. eta vs tors. theta energy: -66.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -837.516868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.516868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.516868 (E_RNA)
where:
Base-Base interactions energy: -578.553
where: short stacking energy: -249.549
Base-Backbone interact. energy: -0.557
local terms energy: -258.406689
where:
bonds (distance) C4'-P energy: -48.853
bonds (distance) P-C4' energy: -48.031
flat angles C4'-P-C4' energy: -52.336
flat angles P-C4'-P energy: -40.472
tors. eta vs tors. theta energy: -68.716
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: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -762.907871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.907871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.907871 (E_RNA)
where:
Base-Base interactions energy: -513.293
where: short stacking energy: -215.878
Base-Backbone interact. energy: -1.741
local terms energy: -247.874053
where:
bonds (distance) C4'-P energy: -52.316
bonds (distance) P-C4' energy: -46.957
flat angles C4'-P-C4' energy: -55.151
flat angles P-C4'-P energy: -39.886
tors. eta vs tors. theta energy: -53.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -721.914130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.914130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.914130 (E_RNA)
where:
Base-Base interactions energy: -508.582
where: short stacking energy: -211.971
Base-Backbone interact. energy: -0.776
local terms energy: -212.556065
where:
bonds (distance) C4'-P energy: -44.956
bonds (distance) P-C4' energy: -43.186
flat angles C4'-P-C4' energy: -53.551
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -59.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -414.333525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.333525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.333525 (E_RNA)
where:
Base-Base interactions energy: -233.876
where: short stacking energy: -122.394
Base-Backbone interact. energy: -0.959
local terms energy: -179.498344
where:
bonds (distance) C4'-P energy: -34.498
bonds (distance) P-C4' energy: -49.142
flat angles C4'-P-C4' energy: -46.803
flat angles P-C4'-P energy: -28.588
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -208.640754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.640754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.640754 (E_RNA)
where:
Base-Base interactions energy: -62.943
where: short stacking energy: -51.045
Base-Backbone interact. energy: -1.625
local terms energy: -144.072763
where:
bonds (distance) C4'-P energy: -41.523
bonds (distance) P-C4' energy: -40.873
flat angles C4'-P-C4' energy: -39.914
flat angles P-C4'-P energy: -24.335
tors. eta vs tors. theta energy: 2.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -986.841784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.841784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.841784 (E_RNA)
where:
Base-Base interactions energy: -683.603
where: short stacking energy: -288.446
Base-Backbone interact. energy: -2.115
local terms energy: -301.123241
where:
bonds (distance) C4'-P energy: -55.292
bonds (distance) P-C4' energy: -47.334
flat angles C4'-P-C4' energy: -65.174
flat angles P-C4'-P energy: -43.241
tors. eta vs tors. theta energy: -90.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -958.407856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.407856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.407856 (E_RNA)
where:
Base-Base interactions energy: -659.513
where: short stacking energy: -288.369
Base-Backbone interact. energy: -0.879
local terms energy: -298.015003
where:
bonds (distance) C4'-P energy: -53.976
bonds (distance) P-C4' energy: -55.875
flat angles C4'-P-C4' energy: -61.349
flat angles P-C4'-P energy: -44.408
tors. eta vs tors. theta energy: -82.407
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: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -908.283843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.283843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.283843 (E_RNA)
where:
Base-Base interactions energy: -636.403
where: short stacking energy: -270.430
Base-Backbone interact. energy: -0.814
local terms energy: -271.067238
where:
bonds (distance) C4'-P energy: -43.688
bonds (distance) P-C4' energy: -53.889
flat angles C4'-P-C4' energy: -54.019
flat angles P-C4'-P energy: -38.778
tors. eta vs tors. theta energy: -80.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -905.873419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.873419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.873419 (E_RNA)
where:
Base-Base interactions energy: -624.613
where: short stacking energy: -271.975
Base-Backbone interact. energy: -1.436
local terms energy: -279.824027
where:
bonds (distance) C4'-P energy: -50.703
bonds (distance) P-C4' energy: -44.002
flat angles C4'-P-C4' energy: -59.117
flat angles P-C4'-P energy: -40.999
tors. eta vs tors. theta energy: -85.003
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: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -817.671030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.671030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.671030 (E_RNA)
where:
Base-Base interactions energy: -565.501
where: short stacking energy: -246.345
Base-Backbone interact. energy: 0.519
local terms energy: -252.689635
where:
bonds (distance) C4'-P energy: -44.172
bonds (distance) P-C4' energy: -54.155
flat angles C4'-P-C4' energy: -55.836
flat angles P-C4'-P energy: -28.231
tors. eta vs tors. theta energy: -70.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -813.360272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.360272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.360272 (E_RNA)
where:
Base-Base interactions energy: -552.087
where: short stacking energy: -235.223
Base-Backbone interact. energy: -0.957
local terms energy: -260.315724
where:
bonds (distance) C4'-P energy: -46.246
bonds (distance) P-C4' energy: -47.176
flat angles C4'-P-C4' energy: -52.041
flat angles P-C4'-P energy: -47.448
tors. eta vs tors. theta energy: -67.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -768.102807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.102807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.102807 (E_RNA)
where:
Base-Base interactions energy: -526.767
where: short stacking energy: -222.006
Base-Backbone interact. energy: -0.300
local terms energy: -241.035679
where:
bonds (distance) C4'-P energy: -46.657
bonds (distance) P-C4' energy: -56.438
flat angles C4'-P-C4' energy: -49.726
flat angles P-C4'-P energy: -30.732
tors. eta vs tors. theta energy: -57.482
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: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -726.111721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.111721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.111721 (E_RNA)
where:
Base-Base interactions energy: -503.563
where: short stacking energy: -202.754
Base-Backbone interact. energy: 1.132
local terms energy: -223.681019
where:
bonds (distance) C4'-P energy: -49.347
bonds (distance) P-C4' energy: -33.161
flat angles C4'-P-C4' energy: -50.653
flat angles P-C4'-P energy: -35.547
tors. eta vs tors. theta energy: -54.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -419.137241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.137241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.137241 (E_RNA)
where:
Base-Base interactions energy: -245.326
where: short stacking energy: -101.327
Base-Backbone interact. energy: 0.540
local terms energy: -174.351562
where:
bonds (distance) C4'-P energy: -36.250
bonds (distance) P-C4' energy: -56.043
flat angles C4'-P-C4' energy: -45.297
flat angles P-C4'-P energy: -26.196
tors. eta vs tors. theta energy: -10.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -241.044510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.044510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.044510 (E_RNA)
where:
Base-Base interactions energy: -86.825
where: short stacking energy: -86.818
Base-Backbone interact. energy: -1.454
local terms energy: -152.765990
where:
bonds (distance) C4'-P energy: -38.326
bonds (distance) P-C4' energy: -48.569
flat angles C4'-P-C4' energy: -37.516
flat angles P-C4'-P energy: -24.163
tors. eta vs tors. theta energy: -4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -975.647333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.647333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.647333 (E_RNA)
where:
Base-Base interactions energy: -678.117
where: short stacking energy: -294.530
Base-Backbone interact. energy: -0.887
local terms energy: -296.643911
where:
bonds (distance) C4'-P energy: -48.629
bonds (distance) P-C4' energy: -52.242
flat angles C4'-P-C4' energy: -59.403
flat angles P-C4'-P energy: -42.114
tors. eta vs tors. theta energy: -94.255
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: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -940.581819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.581819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.581819 (E_RNA)
where:
Base-Base interactions energy: -654.856
where: short stacking energy: -294.649
Base-Backbone interact. energy: -0.490
local terms energy: -285.235692
where:
bonds (distance) C4'-P energy: -43.566
bonds (distance) P-C4' energy: -54.651
flat angles C4'-P-C4' energy: -56.230
flat angles P-C4'-P energy: -40.642
tors. eta vs tors. theta energy: -90.147
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: 416
Temperature: 1.000000
Total energy: -915.307714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.307714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.307714 (E_RNA)
where:
Base-Base interactions energy: -630.899
where: short stacking energy: -261.962
Base-Backbone interact. energy: -0.359
local terms energy: -284.049683
where:
bonds (distance) C4'-P energy: -54.228
bonds (distance) P-C4' energy: -50.227
flat angles C4'-P-C4' energy: -63.738
flat angles P-C4'-P energy: -39.151
tors. eta vs tors. theta energy: -76.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -892.911371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.911371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.911371 (E_RNA)
where:
Base-Base interactions energy: -634.351
where: short stacking energy: -276.843
Base-Backbone interact. energy: 0.566
local terms energy: -259.126655
where:
bonds (distance) C4'-P energy: -37.539
bonds (distance) P-C4' energy: -53.702
flat angles C4'-P-C4' energy: -47.859
flat angles P-C4'-P energy: -40.148
tors. eta vs tors. theta energy: -79.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -844.613990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.613990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.613990 (E_RNA)
where:
Base-Base interactions energy: -575.435
where: short stacking energy: -256.836
Base-Backbone interact. energy: -0.832
local terms energy: -268.346899
where:
bonds (distance) C4'-P energy: -50.314
bonds (distance) P-C4' energy: -43.856
flat angles C4'-P-C4' energy: -57.646
flat angles P-C4'-P energy: -38.661
tors. eta vs tors. theta energy: -77.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -804.620790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.620790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.620790 (E_RNA)
where:
Base-Base interactions energy: -547.745
where: short stacking energy: -237.582
Base-Backbone interact. energy: -0.220
local terms energy: -256.655932
where:
bonds (distance) C4'-P energy: -40.741
bonds (distance) P-C4' energy: -43.714
flat angles C4'-P-C4' energy: -57.957
flat angles P-C4'-P energy: -44.725
tors. eta vs tors. theta energy: -69.520
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: 1
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -766.164490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.164490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.164490 (E_RNA)
where:
Base-Base interactions energy: -514.728
where: short stacking energy: -212.937
Base-Backbone interact. energy: -0.606
local terms energy: -250.829971
where:
bonds (distance) C4'-P energy: -49.016
bonds (distance) P-C4' energy: -55.258
flat angles C4'-P-C4' energy: -52.706
flat angles P-C4'-P energy: -40.617
tors. eta vs tors. theta energy: -53.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -714.873588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.873588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.873588 (E_RNA)
where:
Base-Base interactions energy: -484.160
where: short stacking energy: -207.910
Base-Backbone interact. energy: -1.175
local terms energy: -229.538800
where:
bonds (distance) C4'-P energy: -40.945
bonds (distance) P-C4' energy: -47.922
flat angles C4'-P-C4' energy: -53.067
flat angles P-C4'-P energy: -33.842
tors. eta vs tors. theta energy: -53.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -415.235686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.235686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.235686 (E_RNA)
where:
Base-Base interactions energy: -218.328
where: short stacking energy: -125.248
Base-Backbone interact. energy: -1.005
local terms energy: -195.903406
where:
bonds (distance) C4'-P energy: -37.983
bonds (distance) P-C4' energy: -55.731
flat angles C4'-P-C4' energy: -46.900
flat angles P-C4'-P energy: -29.885
tors. eta vs tors. theta energy: -25.404
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: 10, replica: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -225.718124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.718124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.718124 (E_RNA)
where:
Base-Base interactions energy: -79.318
where: short stacking energy: -74.385
Base-Backbone interact. energy: -0.433
local terms energy: -145.967458
where:
bonds (distance) C4'-P energy: -49.267
bonds (distance) P-C4' energy: -43.335
flat angles C4'-P-C4' energy: -42.080
flat angles P-C4'-P energy: -21.624
tors. eta vs tors. theta energy: 10.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -977.449968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.449968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.449968 (E_RNA)
where:
Base-Base interactions energy: -685.288
where: short stacking energy: -285.894
Base-Backbone interact. energy: -0.926
local terms energy: -291.235862
where:
bonds (distance) C4'-P energy: -52.410
bonds (distance) P-C4' energy: -46.987
flat angles C4'-P-C4' energy: -59.294
flat angles P-C4'-P energy: -43.743
tors. eta vs tors. theta energy: -88.802
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: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -960.173641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.173641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.173641 (E_RNA)
where:
Base-Base interactions energy: -682.775
where: short stacking energy: -299.779
Base-Backbone interact. energy: -0.988
local terms energy: -276.410819
where:
bonds (distance) C4'-P energy: -49.599
bonds (distance) P-C4' energy: -56.376
flat angles C4'-P-C4' energy: -51.971
flat angles P-C4'-P energy: -30.048
tors. eta vs tors. theta energy: -88.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -935.941771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.941771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.941771 (E_RNA)
where:
Base-Base interactions energy: -669.564
where: short stacking energy: -288.938
Base-Backbone interact. energy: 2.057
local terms energy: -268.435240
where:
bonds (distance) C4'-P energy: -46.806
bonds (distance) P-C4' energy: -43.069
flat angles C4'-P-C4' energy: -51.062
flat angles P-C4'-P energy: -41.031
tors. eta vs tors. theta energy: -86.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -901.768496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.768496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.768496 (E_RNA)
where:
Base-Base interactions energy: -614.966
where: short stacking energy: -265.590
Base-Backbone interact. energy: -0.831
local terms energy: -285.971334
where:
bonds (distance) C4'-P energy: -55.189
bonds (distance) P-C4' energy: -43.991
flat angles C4'-P-C4' energy: -57.364
flat angles P-C4'-P energy: -44.793
tors. eta vs tors. theta energy: -84.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -818.262680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.262680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.262680 (E_RNA)
where:
Base-Base interactions energy: -574.029
where: short stacking energy: -246.951
Base-Backbone interact. energy: -2.286
local terms energy: -241.946986
where:
bonds (distance) C4'-P energy: -38.394
bonds (distance) P-C4' energy: -53.769
flat angles C4'-P-C4' energy: -49.148
flat angles P-C4'-P energy: -34.036
tors. eta vs tors. theta energy: -66.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -804.088389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.088389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.088389 (E_RNA)
where:
Base-Base interactions energy: -572.130
where: short stacking energy: -235.399
Base-Backbone interact. energy: -0.563
local terms energy: -231.395884
where:
bonds (distance) C4'-P energy: -40.105
bonds (distance) P-C4' energy: -51.954
flat angles C4'-P-C4' energy: -43.402
flat angles P-C4'-P energy: -27.255
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: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -716.923674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.923674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.923674 (E_RNA)
where:
Base-Base interactions energy: -502.443
where: short stacking energy: -212.958
Base-Backbone interact. energy: -1.561
local terms energy: -212.920058
where:
bonds (distance) C4'-P energy: -38.128
bonds (distance) P-C4' energy: -43.022
flat angles C4'-P-C4' energy: -41.873
flat angles P-C4'-P energy: -41.397
tors. eta vs tors. theta energy: -48.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -741.793471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.793471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.793471 (E_RNA)
where:
Base-Base interactions energy: -502.313
where: short stacking energy: -220.089
Base-Backbone interact. energy: -0.971
local terms energy: -238.509383
where:
bonds (distance) C4'-P energy: -47.922
bonds (distance) P-C4' energy: -55.744
flat angles C4'-P-C4' energy: -43.496
flat angles P-C4'-P energy: -36.452
tors. eta vs tors. theta energy: -54.896
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: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -415.137491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.137491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.137491 (E_RNA)
where:
Base-Base interactions energy: -217.858
where: short stacking energy: -122.277
Base-Backbone interact. energy: 0.122
local terms energy: -197.400986
where:
bonds (distance) C4'-P energy: -51.281
bonds (distance) P-C4' energy: -46.645
flat angles C4'-P-C4' energy: -53.370
flat angles P-C4'-P energy: -23.532
tors. eta vs tors. theta energy: -22.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -232.260237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.260237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.260237 (E_RNA)
where:
Base-Base interactions energy: -95.200
where: short stacking energy: -70.370
Base-Backbone interact. energy: 2.421
local terms energy: -139.480452
where:
bonds (distance) C4'-P energy: -31.637
bonds (distance) P-C4' energy: -46.783
flat angles C4'-P-C4' energy: -38.943
flat angles P-C4'-P energy: -18.798
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: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -978.838474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.838474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.838474 (E_RNA)
where:
Base-Base interactions energy: -695.477
where: short stacking energy: -297.791
Base-Backbone interact. energy: -1.133
local terms energy: -282.228379
where:
bonds (distance) C4'-P energy: -43.437
bonds (distance) P-C4' energy: -47.272
flat angles C4'-P-C4' energy: -64.319
flat angles P-C4'-P energy: -38.586
tors. eta vs tors. theta energy: -88.614
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: 4
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -930.205572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.205572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.205572 (E_RNA)
where:
Base-Base interactions energy: -635.631
where: short stacking energy: -285.241
Base-Backbone interact. energy: -0.565
local terms energy: -294.009727
where:
bonds (distance) C4'-P energy: -46.997
bonds (distance) P-C4' energy: -52.377
flat angles C4'-P-C4' energy: -60.195
flat angles P-C4'-P energy: -41.992
tors. eta vs tors. theta energy: -92.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -926.615937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.615937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.615937 (E_RNA)
where:
Base-Base interactions energy: -647.388
where: short stacking energy: -255.921
Base-Backbone interact. energy: 1.305
local terms energy: -280.532815
where:
bonds (distance) C4'-P energy: -48.830
bonds (distance) P-C4' energy: -56.183
flat angles C4'-P-C4' energy: -57.054
flat angles P-C4'-P energy: -41.753
tors. eta vs tors. theta energy: -76.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -902.343161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.343161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.343161 (E_RNA)
where:
Base-Base interactions energy: -617.792
where: short stacking energy: -272.111
Base-Backbone interact. energy: -0.849
local terms energy: -283.702272
where:
bonds (distance) C4'-P energy: -56.377
bonds (distance) P-C4' energy: -54.894
flat angles C4'-P-C4' energy: -48.814
flat angles P-C4'-P energy: -34.626
tors. eta vs tors. theta energy: -88.991
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: 5, replica: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -829.647286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.647286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.647286 (E_RNA)
where:
Base-Base interactions energy: -567.672
where: short stacking energy: -248.449
Base-Backbone interact. energy: -0.347
local terms energy: -261.628865
where:
bonds (distance) C4'-P energy: -49.144
bonds (distance) P-C4' energy: -44.454
flat angles C4'-P-C4' energy: -55.649
flat angles P-C4'-P energy: -41.231
tors. eta vs tors. theta energy: -71.151
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: 3
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -802.486310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.486310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.486310 (E_RNA)
where:
Base-Base interactions energy: -544.994
where: short stacking energy: -238.779
Base-Backbone interact. energy: -0.023
local terms energy: -257.469390
where:
bonds (distance) C4'-P energy: -42.015
bonds (distance) P-C4' energy: -46.703
flat angles C4'-P-C4' energy: -57.941
flat angles P-C4'-P energy: -38.824
tors. eta vs tors. theta energy: -71.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -715.769038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.769038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.769038 (E_RNA)
where:
Base-Base interactions energy: -491.360
where: short stacking energy: -211.837
Base-Backbone interact. energy: 0.025
local terms energy: -224.434477
where:
bonds (distance) C4'-P energy: -45.254
bonds (distance) P-C4' energy: -46.687
flat angles C4'-P-C4' energy: -56.587
flat angles P-C4'-P energy: -27.234
tors. eta vs tors. theta energy: -48.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -709.664459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.664459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.664459 (E_RNA)
where:
Base-Base interactions energy: -481.835
where: short stacking energy: -207.683
Base-Backbone interact. energy: 0.718
local terms energy: -228.547745
where:
bonds (distance) C4'-P energy: -35.442
bonds (distance) P-C4' energy: -53.945
flat angles C4'-P-C4' energy: -49.241
flat angles P-C4'-P energy: -31.897
tors. eta vs tors. theta energy: -58.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -412.870235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.870235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.870235 (E_RNA)
where:
Base-Base interactions energy: -251.791
where: short stacking energy: -140.157
Base-Backbone interact. energy: -0.532
local terms energy: -160.547000
where:
bonds (distance) C4'-P energy: -43.692
bonds (distance) P-C4' energy: -34.983
flat angles C4'-P-C4' energy: -51.114
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -20.369
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: 8
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -228.910034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.910034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.910034 (E_RNA)
where:
Base-Base interactions energy: -82.603
where: short stacking energy: -80.795
Base-Backbone interact. energy: 0.368
local terms energy: -146.674646
where:
bonds (distance) C4'-P energy: -37.216
bonds (distance) P-C4' energy: -45.682
flat angles C4'-P-C4' energy: -42.169
flat angles P-C4'-P energy: -23.908
tors. eta vs tors. theta energy: 2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -976.055129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.055129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.055129 (E_RNA)
where:
Base-Base interactions energy: -688.732
where: short stacking energy: -305.824
Base-Backbone interact. energy: -1.318
local terms energy: -286.005241
where:
bonds (distance) C4'-P energy: -46.123
bonds (distance) P-C4' energy: -55.102
flat angles C4'-P-C4' energy: -54.244
flat angles P-C4'-P energy: -43.552
tors. eta vs tors. theta energy: -86.984
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: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -961.680888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.680888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.680888 (E_RNA)
where:
Base-Base interactions energy: -677.427
where: short stacking energy: -301.756
Base-Backbone interact. energy: -0.698
local terms energy: -283.555266
where:
bonds (distance) C4'-P energy: -51.698
bonds (distance) P-C4' energy: -47.424
flat angles C4'-P-C4' energy: -51.638
flat angles P-C4'-P energy: -40.610
tors. eta vs tors. theta energy: -92.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -937.160253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.160253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.160253 (E_RNA)
where:
Base-Base interactions energy: -656.570
where: short stacking energy: -281.311
Base-Backbone interact. energy: -1.242
local terms energy: -279.347548
where:
bonds (distance) C4'-P energy: -43.524
bonds (distance) P-C4' energy: -49.125
flat angles C4'-P-C4' energy: -57.971
flat angles P-C4'-P energy: -45.533
tors. eta vs tors. theta energy: -83.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -898.451513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.451513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.451513 (E_RNA)
where:
Base-Base interactions energy: -640.334
where: short stacking energy: -259.217
Base-Backbone interact. energy: -1.533
local terms energy: -256.584293
where:
bonds (distance) C4'-P energy: -42.462
bonds (distance) P-C4' energy: -48.350
flat angles C4'-P-C4' energy: -55.060
flat angles P-C4'-P energy: -40.602
tors. eta vs tors. theta energy: -70.110
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: 7
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -846.080049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.080049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.080049 (E_RNA)
where:
Base-Base interactions energy: -587.531
where: short stacking energy: -256.562
Base-Backbone interact. energy: -0.996
local terms energy: -257.553259
where:
bonds (distance) C4'-P energy: -47.624
bonds (distance) P-C4' energy: -46.202
flat angles C4'-P-C4' energy: -54.032
flat angles P-C4'-P energy: -36.314
tors. eta vs tors. theta energy: -73.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -778.430477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.430477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.430477 (E_RNA)
where:
Base-Base interactions energy: -542.137
where: short stacking energy: -236.611
Base-Backbone interact. energy: 1.374
local terms energy: -237.667594
where:
bonds (distance) C4'-P energy: -45.578
bonds (distance) P-C4' energy: -46.695
flat angles C4'-P-C4' energy: -47.380
flat angles P-C4'-P energy: -33.408
tors. eta vs tors. theta energy: -64.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -728.717004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.717004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.717004 (E_RNA)
where:
Base-Base interactions energy: -492.648
where: short stacking energy: -209.546
Base-Backbone interact. energy: -0.942
local terms energy: -235.126177
where:
bonds (distance) C4'-P energy: -36.320
bonds (distance) P-C4' energy: -50.890
flat angles C4'-P-C4' energy: -55.477
flat angles P-C4'-P energy: -31.973
tors. eta vs tors. theta energy: -60.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -755.501121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.501121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.501121 (E_RNA)
where:
Base-Base interactions energy: -506.924
where: short stacking energy: -220.054
Base-Backbone interact. energy: -1.981
local terms energy: -246.596236
where:
bonds (distance) C4'-P energy: -46.748
bonds (distance) P-C4' energy: -53.207
flat angles C4'-P-C4' energy: -52.098
flat angles P-C4'-P energy: -35.458
tors. eta vs tors. theta energy: -59.085
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: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -407.055876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.055876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.055876 (E_RNA)
where:
Base-Base interactions energy: -228.928
where: short stacking energy: -121.436
Base-Backbone interact. energy: 2.594
local terms energy: -180.722012
where:
bonds (distance) C4'-P energy: -32.154
bonds (distance) P-C4' energy: -55.874
flat angles C4'-P-C4' energy: -44.288
flat angles P-C4'-P energy: -25.842
tors. eta vs tors. theta energy: -22.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -228.880014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.880014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.880014 (E_RNA)
where:
Base-Base interactions energy: -76.670
where: short stacking energy: -72.539
Base-Backbone interact. energy: 0.542
local terms energy: -152.752479
where:
bonds (distance) C4'-P energy: -43.877
bonds (distance) P-C4' energy: -50.019
flat angles C4'-P-C4' energy: -33.546
flat angles P-C4'-P energy: -22.354
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: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -996.383306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.383306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.383306 (E_RNA)
where:
Base-Base interactions energy: -689.919
where: short stacking energy: -290.585
Base-Backbone interact. energy: -1.328
local terms energy: -305.136663
where:
bonds (distance) C4'-P energy: -52.704
bonds (distance) P-C4' energy: -51.339
flat angles C4'-P-C4' energy: -62.101
flat angles P-C4'-P energy: -45.911
tors. eta vs tors. theta energy: -93.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -946.101317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.101317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.101317 (E_RNA)
where:
Base-Base interactions energy: -652.483
where: short stacking energy: -276.432
Base-Backbone interact. energy: -0.735
local terms energy: -292.883303
where:
bonds (distance) C4'-P energy: -47.258
bonds (distance) P-C4' energy: -49.875
flat angles C4'-P-C4' energy: -60.329
flat angles P-C4'-P energy: -49.153
tors. eta vs tors. theta energy: -86.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -925.593903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.593903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.593903 (E_RNA)
where:
Base-Base interactions energy: -645.407
where: short stacking energy: -268.792
Base-Backbone interact. energy: -2.089
local terms energy: -278.098169
where:
bonds (distance) C4'-P energy: -46.130
bonds (distance) P-C4' energy: -52.659
flat angles C4'-P-C4' energy: -57.762
flat angles P-C4'-P energy: -42.609
tors. eta vs tors. theta energy: -78.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -928.611160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.611160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.611160 (E_RNA)
where:
Base-Base interactions energy: -654.099
where: short stacking energy: -269.733
Base-Backbone interact. energy: -1.210
local terms energy: -273.302879
where:
bonds (distance) C4'-P energy: -50.999
bonds (distance) P-C4' energy: -53.377
flat angles C4'-P-C4' energy: -54.589
flat angles P-C4'-P energy: -39.168
tors. eta vs tors. theta energy: -75.169
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: 5, replica: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -816.527486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.527486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.527486 (E_RNA)
where:
Base-Base interactions energy: -565.777
where: short stacking energy: -234.552
Base-Backbone interact. energy: -0.377
local terms energy: -250.373360
where:
bonds (distance) C4'-P energy: -51.383
bonds (distance) P-C4' energy: -43.271
flat angles C4'-P-C4' energy: -51.554
flat angles P-C4'-P energy: -35.686
tors. eta vs tors. theta energy: -68.479
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: 3
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -788.856280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.856280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.856280 (E_RNA)
where:
Base-Base interactions energy: -559.266
where: short stacking energy: -229.290
Base-Backbone interact. energy: 0.694
local terms energy: -230.285098
where:
bonds (distance) C4'-P energy: -49.701
bonds (distance) P-C4' energy: -44.041
flat angles C4'-P-C4' energy: -46.038
flat angles P-C4'-P energy: -28.877
tors. eta vs tors. theta energy: -61.628
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: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -756.077841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.077841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.077841 (E_RNA)
where:
Base-Base interactions energy: -504.847
where: short stacking energy: -209.413
Base-Backbone interact. energy: -0.842
local terms energy: -250.388601
where:
bonds (distance) C4'-P energy: -37.134
bonds (distance) P-C4' energy: -47.861
flat angles C4'-P-C4' energy: -62.650
flat angles P-C4'-P energy: -41.785
tors. eta vs tors. theta energy: -60.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -727.797337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.797337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.797337 (E_RNA)
where:
Base-Base interactions energy: -514.572
where: short stacking energy: -211.052
Base-Backbone interact. energy: -0.559
local terms energy: -212.666325
where:
bonds (distance) C4'-P energy: -38.161
bonds (distance) P-C4' energy: -44.877
flat angles C4'-P-C4' energy: -48.182
flat angles P-C4'-P energy: -21.805
tors. eta vs tors. theta energy: -59.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -408.641757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.641757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.641757 (E_RNA)
where:
Base-Base interactions energy: -234.430
where: short stacking energy: -119.690
Base-Backbone interact. energy: -1.201
local terms energy: -173.010717
where:
bonds (distance) C4'-P energy: -41.724
bonds (distance) P-C4' energy: -42.798
flat angles C4'-P-C4' energy: -41.979
flat angles P-C4'-P energy: -26.255
tors. eta vs tors. theta energy: -20.255
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: 10, replica: 8
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -222.751377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.751377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.751377 (E_RNA)
where:
Base-Base interactions energy: -76.909
where: short stacking energy: -73.188
Base-Backbone interact. energy: 0.203
local terms energy: -146.045298
where:
bonds (distance) C4'-P energy: -44.923
bonds (distance) P-C4' energy: -45.748
flat angles C4'-P-C4' energy: -37.072
flat angles P-C4'-P energy: -25.011
tors. eta vs tors. theta energy: 6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -963.768294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.768294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.768294 (E_RNA)
where:
Base-Base interactions energy: -667.994
where: short stacking energy: -283.099
Base-Backbone interact. energy: 0.091
local terms energy: -295.865681
where:
bonds (distance) C4'-P energy: -52.937
bonds (distance) P-C4' energy: -53.925
flat angles C4'-P-C4' energy: -64.872
flat angles P-C4'-P energy: -40.279
tors. eta vs tors. theta energy: -83.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -943.880275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.880275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.880275 (E_RNA)
where:
Base-Base interactions energy: -660.999
where: short stacking energy: -287.198
Base-Backbone interact. energy: -0.994
local terms energy: -281.887414
where:
bonds (distance) C4'-P energy: -48.186
bonds (distance) P-C4' energy: -47.709
flat angles C4'-P-C4' energy: -60.287
flat angles P-C4'-P energy: -41.214
tors. eta vs tors. theta energy: -84.491
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: 421
Temperature: 1.000000
Total energy: -918.592947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.592947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.592947 (E_RNA)
where:
Base-Base interactions energy: -644.700
where: short stacking energy: -278.914
Base-Backbone interact. energy: -0.799
local terms energy: -273.094423
where:
bonds (distance) C4'-P energy: -54.495
bonds (distance) P-C4' energy: -39.372
flat angles C4'-P-C4' energy: -62.011
flat angles P-C4'-P energy: -40.355
tors. eta vs tors. theta energy: -76.861
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: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -817.746347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.746347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.746347 (E_RNA)
where:
Base-Base interactions energy: -570.715
where: short stacking energy: -236.941
Base-Backbone interact. energy: -0.912
local terms energy: -246.119969
where:
bonds (distance) C4'-P energy: -39.297
bonds (distance) P-C4' energy: -49.880
flat angles C4'-P-C4' energy: -53.679
flat angles P-C4'-P energy: -41.376
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: 5, replica: 9
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -866.344225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.344225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.344225 (E_RNA)
where:
Base-Base interactions energy: -607.221
where: short stacking energy: -241.869
Base-Backbone interact. energy: 1.844
local terms energy: -260.967373
where:
bonds (distance) C4'-P energy: -46.332
bonds (distance) P-C4' energy: -54.635
flat angles C4'-P-C4' energy: -57.483
flat angles P-C4'-P energy: -30.976
tors. eta vs tors. theta energy: -71.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -769.595188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.595188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.595188 (E_RNA)
where:
Base-Base interactions energy: -526.557
where: short stacking energy: -227.400
Base-Backbone interact. energy: -1.028
local terms energy: -242.010081
where:
bonds (distance) C4'-P energy: -43.746
bonds (distance) P-C4' energy: -55.367
flat angles C4'-P-C4' energy: -46.194
flat angles P-C4'-P energy: -37.655
tors. eta vs tors. theta energy: -59.048
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: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -743.621727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.621727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.621727 (E_RNA)
where:
Base-Base interactions energy: -517.771
where: short stacking energy: -215.781
Base-Backbone interact. energy: -0.459
local terms energy: -225.391892
where:
bonds (distance) C4'-P energy: -40.793
bonds (distance) P-C4' energy: -48.893
flat angles C4'-P-C4' energy: -44.287
flat angles P-C4'-P energy: -31.677
tors. eta vs tors. theta energy: -59.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -743.839742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.839742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.839742 (E_RNA)
where:
Base-Base interactions energy: -515.940
where: short stacking energy: -215.263
Base-Backbone interact. energy: -1.823
local terms energy: -226.076862
where:
bonds (distance) C4'-P energy: -34.983
bonds (distance) P-C4' energy: -41.413
flat angles C4'-P-C4' energy: -48.444
flat angles P-C4'-P energy: -39.258
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: 9, replica: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -399.918866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.918866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.918866 (E_RNA)
where:
Base-Base interactions energy: -225.463
where: short stacking energy: -116.654
Base-Backbone interact. energy: -2.272
local terms energy: -172.183642
where:
bonds (distance) C4'-P energy: -47.129
bonds (distance) P-C4' energy: -44.819
flat angles C4'-P-C4' energy: -38.723
flat angles P-C4'-P energy: -29.177
tors. eta vs tors. theta energy: -12.337
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: 10, replica: 8
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -227.719580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.719580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.719580 (E_RNA)
where:
Base-Base interactions energy: -80.623
where: short stacking energy: -76.003
Base-Backbone interact. energy: -0.409
local terms energy: -146.687060
where:
bonds (distance) C4'-P energy: -42.235
bonds (distance) P-C4' energy: -50.197
flat angles C4'-P-C4' energy: -42.734
flat angles P-C4'-P energy: -20.768
tors. eta vs tors. theta energy: 9.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -962.925782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.925782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.925782 (E_RNA)
where:
Base-Base interactions energy: -680.536
where: short stacking energy: -296.985
Base-Backbone interact. energy: -0.871
local terms energy: -281.519745
where:
bonds (distance) C4'-P energy: -55.016
bonds (distance) P-C4' energy: -48.860
flat angles C4'-P-C4' energy: -57.811
flat angles P-C4'-P energy: -33.379
tors. eta vs tors. theta energy: -86.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -943.264217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.264217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.264217 (E_RNA)
where:
Base-Base interactions energy: -653.672
where: short stacking energy: -286.352
Base-Backbone interact. energy: -0.655
local terms energy: -288.937250
where:
bonds (distance) C4'-P energy: -45.691
bonds (distance) P-C4' energy: -55.532
flat angles C4'-P-C4' energy: -56.871
flat angles P-C4'-P energy: -43.176
tors. eta vs tors. theta energy: -87.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -914.774280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.774280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.774280 (E_RNA)
where:
Base-Base interactions energy: -628.633
where: short stacking energy: -275.794
Base-Backbone interact. energy: 0.646
local terms energy: -286.787110
where:
bonds (distance) C4'-P energy: -53.101
bonds (distance) P-C4' energy: -50.891
flat angles C4'-P-C4' energy: -62.220
flat angles P-C4'-P energy: -38.134
tors. eta vs tors. theta energy: -82.442
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: 7
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -827.934521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.934521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.934521 (E_RNA)
where:
Base-Base interactions energy: -576.517
where: short stacking energy: -263.112
Base-Backbone interact. energy: -0.932
local terms energy: -250.486019
where:
bonds (distance) C4'-P energy: -39.511
bonds (distance) P-C4' energy: -51.641
flat angles C4'-P-C4' energy: -51.479
flat angles P-C4'-P energy: -36.713
tors. eta vs tors. theta energy: -71.143
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: 422
Temperature: 1.100000
Total energy: -847.185647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.185647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.185647 (E_RNA)
where:
Base-Base interactions energy: -610.389
where: short stacking energy: -266.513
Base-Backbone interact. energy: 1.987
local terms energy: -238.783454
where:
bonds (distance) C4'-P energy: -50.486
bonds (distance) P-C4' energy: -30.041
flat angles C4'-P-C4' energy: -46.491
flat angles P-C4'-P energy: -33.744
tors. eta vs tors. theta energy: -78.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -808.745310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.745310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.745310 (E_RNA)
where:
Base-Base interactions energy: -552.377
where: short stacking energy: -228.268
Base-Backbone interact. energy: -1.893
local terms energy: -254.474946
where:
bonds (distance) C4'-P energy: -45.404
bonds (distance) P-C4' energy: -49.142
flat angles C4'-P-C4' energy: -56.104
flat angles P-C4'-P energy: -34.549
tors. eta vs tors. theta energy: -69.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -752.710737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.710737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.710737 (E_RNA)
where:
Base-Base interactions energy: -521.114
where: short stacking energy: -221.182
Base-Backbone interact. energy: 1.620
local terms energy: -233.216780
where:
bonds (distance) C4'-P energy: -46.578
bonds (distance) P-C4' energy: -43.528
flat angles C4'-P-C4' energy: -48.092
flat angles P-C4'-P energy: -33.732
tors. eta vs tors. theta energy: -61.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -747.915807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.915807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.915807 (E_RNA)
where:
Base-Base interactions energy: -517.010
where: short stacking energy: -214.711
Base-Backbone interact. energy: -0.763
local terms energy: -230.143675
where:
bonds (distance) C4'-P energy: -46.885
bonds (distance) P-C4' energy: -44.655
flat angles C4'-P-C4' energy: -51.646
flat angles P-C4'-P energy: -25.015
tors. eta vs tors. theta energy: -61.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -433.702044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.702044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.702044 (E_RNA)
where:
Base-Base interactions energy: -242.126
where: short stacking energy: -120.232
Base-Backbone interact. energy: -0.438
local terms energy: -191.138066
where:
bonds (distance) C4'-P energy: -44.448
bonds (distance) P-C4' energy: -47.811
flat angles C4'-P-C4' energy: -42.821
flat angles P-C4'-P energy: -26.665
tors. eta vs tors. theta energy: -29.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -236.471903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.471903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.471903 (E_RNA)
where:
Base-Base interactions energy: -90.626
where: short stacking energy: -75.930
Base-Backbone interact. energy: 0.040
local terms energy: -145.885835
where:
bonds (distance) C4'-P energy: -49.899
bonds (distance) P-C4' energy: -44.201
flat angles C4'-P-C4' energy: -34.335
flat angles P-C4'-P energy: -22.177
tors. eta vs tors. theta energy: 4.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -982.958320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.958320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.958320 (E_RNA)
where:
Base-Base interactions energy: -677.812
where: short stacking energy: -291.588
Base-Backbone interact. energy: -0.931
local terms energy: -304.215928
where:
bonds (distance) C4'-P energy: -50.736
bonds (distance) P-C4' energy: -52.859
flat angles C4'-P-C4' energy: -67.815
flat angles P-C4'-P energy: -41.632
tors. eta vs tors. theta energy: -91.174
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: 2, replica: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -956.030220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.030220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.030220 (E_RNA)
where:
Base-Base interactions energy: -659.328
where: short stacking energy: -292.099
Base-Backbone interact. energy: 1.165
local terms energy: -297.867163
where:
bonds (distance) C4'-P energy: -51.754
bonds (distance) P-C4' energy: -49.231
flat angles C4'-P-C4' energy: -60.584
flat angles P-C4'-P energy: -48.008
tors. eta vs tors. theta energy: -88.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -936.045309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.045309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.045309 (E_RNA)
where:
Base-Base interactions energy: -661.258
where: short stacking energy: -291.925
Base-Backbone interact. energy: -1.316
local terms energy: -273.471423
where:
bonds (distance) C4'-P energy: -41.307
bonds (distance) P-C4' energy: -51.291
flat angles C4'-P-C4' energy: -55.985
flat angles P-C4'-P energy: -38.670
tors. eta vs tors. theta energy: -86.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -866.776139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.776139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.776139 (E_RNA)
where:
Base-Base interactions energy: -617.464
where: short stacking energy: -256.199
Base-Backbone interact. energy: -2.260
local terms energy: -247.052503
where:
bonds (distance) C4'-P energy: -43.095
bonds (distance) P-C4' energy: -43.654
flat angles C4'-P-C4' energy: -54.009
flat angles P-C4'-P energy: -34.337
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: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -870.834369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.834369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.834369 (E_RNA)
where:
Base-Base interactions energy: -589.281
where: short stacking energy: -254.109
Base-Backbone interact. energy: -0.292
local terms energy: -281.260908
where:
bonds (distance) C4'-P energy: -45.289
bonds (distance) P-C4' energy: -57.627
flat angles C4'-P-C4' energy: -56.958
flat angles P-C4'-P energy: -39.255
tors. eta vs tors. theta energy: -82.132
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: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -810.280729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.280729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.280729 (E_RNA)
where:
Base-Base interactions energy: -554.130
where: short stacking energy: -241.124
Base-Backbone interact. energy: -0.807
local terms energy: -255.344324
where:
bonds (distance) C4'-P energy: -49.724
bonds (distance) P-C4' energy: -48.718
flat angles C4'-P-C4' energy: -58.612
flat angles P-C4'-P energy: -34.915
tors. eta vs tors. theta energy: -63.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -763.492409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.492409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.492409 (E_RNA)
where:
Base-Base interactions energy: -523.252
where: short stacking energy: -231.553
Base-Backbone interact. energy: -0.792
local terms energy: -239.448693
where:
bonds (distance) C4'-P energy: -43.730
bonds (distance) P-C4' energy: -50.783
flat angles C4'-P-C4' energy: -53.580
flat angles P-C4'-P energy: -25.160
tors. eta vs tors. theta energy: -66.197
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: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -750.005217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.005217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.005217 (E_RNA)
where:
Base-Base interactions energy: -501.981
where: short stacking energy: -209.641
Base-Backbone interact. energy: -0.624
local terms energy: -247.399863
where:
bonds (distance) C4'-P energy: -47.635
bonds (distance) P-C4' energy: -46.666
flat angles C4'-P-C4' energy: -58.348
flat angles P-C4'-P energy: -30.068
tors. eta vs tors. theta energy: -64.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -419.937915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.937915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.937915 (E_RNA)
where:
Base-Base interactions energy: -249.968
where: short stacking energy: -110.409
Base-Backbone interact. energy: 4.619
local terms energy: -174.588719
where:
bonds (distance) C4'-P energy: -42.651
bonds (distance) P-C4' energy: -52.336
flat angles C4'-P-C4' energy: -37.669
flat angles P-C4'-P energy: -24.853
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -216.200736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.200736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.200736 (E_RNA)
where:
Base-Base interactions energy: -82.181
where: short stacking energy: -53.428
Base-Backbone interact. energy: -0.959
local terms energy: -133.061075
where:
bonds (distance) C4'-P energy: -46.864
bonds (distance) P-C4' energy: -49.217
flat angles C4'-P-C4' energy: -33.100
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: 8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -961.604524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.604524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.604524 (E_RNA)
where:
Base-Base interactions energy: -663.013
where: short stacking energy: -293.845
Base-Backbone interact. energy: 0.004
local terms energy: -298.595073
where:
bonds (distance) C4'-P energy: -57.490
bonds (distance) P-C4' energy: -49.955
flat angles C4'-P-C4' energy: -65.399
flat angles P-C4'-P energy: -42.273
tors. eta vs tors. theta energy: -83.479
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: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -930.324067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.324067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.324067 (E_RNA)
where:
Base-Base interactions energy: -647.845
where: short stacking energy: -292.172
Base-Backbone interact. energy: -1.504
local terms energy: -280.974647
where:
bonds (distance) C4'-P energy: -52.594
bonds (distance) P-C4' energy: -50.726
flat angles C4'-P-C4' energy: -59.275
flat angles P-C4'-P energy: -34.869
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: 3, replica: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -942.608203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.608203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.608203 (E_RNA)
where:
Base-Base interactions energy: -653.572
where: short stacking energy: -285.459
Base-Backbone interact. energy: -1.077
local terms energy: -287.958654
where:
bonds (distance) C4'-P energy: -49.887
bonds (distance) P-C4' energy: -54.002
flat angles C4'-P-C4' energy: -59.993
flat angles P-C4'-P energy: -40.206
tors. eta vs tors. theta energy: -83.871
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: 4, replica: 9
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -841.384297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.384297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.384297 (E_RNA)
where:
Base-Base interactions energy: -579.038
where: short stacking energy: -239.581
Base-Backbone interact. energy: 0.024
local terms energy: -262.370561
where:
bonds (distance) C4'-P energy: -48.164
bonds (distance) P-C4' energy: -46.822
flat angles C4'-P-C4' energy: -52.050
flat angles P-C4'-P energy: -46.799
tors. eta vs tors. theta energy: -68.536
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: 7
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -839.021669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.021669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.021669 (E_RNA)
where:
Base-Base interactions energy: -584.318
where: short stacking energy: -253.998
Base-Backbone interact. energy: -2.547
local terms energy: -252.156405
where:
bonds (distance) C4'-P energy: -50.476
bonds (distance) P-C4' energy: -45.728
flat angles C4'-P-C4' energy: -58.774
flat angles P-C4'-P energy: -33.084
tors. eta vs tors. theta energy: -64.094
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: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -794.640730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.640730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.640730 (E_RNA)
where:
Base-Base interactions energy: -550.847
where: short stacking energy: -245.446
Base-Backbone interact. energy: -0.236
local terms energy: -243.557649
where:
bonds (distance) C4'-P energy: -39.920
bonds (distance) P-C4' energy: -47.977
flat angles C4'-P-C4' energy: -53.350
flat angles P-C4'-P energy: -31.416
tors. eta vs tors. theta energy: -70.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -770.514001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.514001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.514001 (E_RNA)
where:
Base-Base interactions energy: -526.271
where: short stacking energy: -236.241
Base-Backbone interact. energy: 2.677
local terms energy: -246.920333
where:
bonds (distance) C4'-P energy: -36.867
bonds (distance) P-C4' energy: -47.845
flat angles C4'-P-C4' energy: -59.012
flat angles P-C4'-P energy: -33.686
tors. eta vs tors. theta energy: -69.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -758.077419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.077419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.077419 (E_RNA)
where:
Base-Base interactions energy: -543.589
where: short stacking energy: -222.738
Base-Backbone interact. energy: -0.528
local terms energy: -213.960313
where:
bonds (distance) C4'-P energy: -33.396
bonds (distance) P-C4' energy: -41.330
flat angles C4'-P-C4' energy: -49.314
flat angles P-C4'-P energy: -33.918
tors. eta vs tors. theta energy: -56.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -434.871021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.871021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.871021 (E_RNA)
where:
Base-Base interactions energy: -245.035
where: short stacking energy: -108.119
Base-Backbone interact. energy: -2.120
local terms energy: -187.716145
where:
bonds (distance) C4'-P energy: -41.150
bonds (distance) P-C4' energy: -47.589
flat angles C4'-P-C4' energy: -37.496
flat angles P-C4'-P energy: -37.903
tors. eta vs tors. theta energy: -23.578
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: 8
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -223.712821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.712821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.712821 (E_RNA)
where:
Base-Base interactions energy: -73.585
where: short stacking energy: -64.109
Base-Backbone interact. energy: 2.161
local terms energy: -152.288170
where:
bonds (distance) C4'-P energy: -41.817
bonds (distance) P-C4' energy: -48.371
flat angles C4'-P-C4' energy: -35.507
flat angles P-C4'-P energy: -33.990
tors. eta vs tors. theta energy: 7.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -970.382538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.382538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.382538 (E_RNA)
where:
Base-Base interactions energy: -674.907
where: short stacking energy: -281.585
Base-Backbone interact. energy: -0.984
local terms energy: -294.491668
where:
bonds (distance) C4'-P energy: -54.581
bonds (distance) P-C4' energy: -54.668
flat angles C4'-P-C4' energy: -60.443
flat angles P-C4'-P energy: -45.835
tors. eta vs tors. theta energy: -78.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -948.797169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.797169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.797169 (E_RNA)
where:
Base-Base interactions energy: -650.131
where: short stacking energy: -279.625
Base-Backbone interact. energy: -0.594
local terms energy: -298.071947
where:
bonds (distance) C4'-P energy: -54.180
bonds (distance) P-C4' energy: -50.796
flat angles C4'-P-C4' energy: -65.428
flat angles P-C4'-P energy: -37.980
tors. eta vs tors. theta energy: -89.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -908.989029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.989029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.989029 (E_RNA)
where:
Base-Base interactions energy: -638.843
where: short stacking energy: -273.265
Base-Backbone interact. energy: -0.380
local terms energy: -269.766258
where:
bonds (distance) C4'-P energy: -47.938
bonds (distance) P-C4' energy: -48.748
flat angles C4'-P-C4' energy: -51.419
flat angles P-C4'-P energy: -42.021
tors. eta vs tors. theta energy: -79.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -880.469861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.469861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.469861 (E_RNA)
where:
Base-Base interactions energy: -598.622
where: short stacking energy: -260.354
Base-Backbone interact. energy: -0.386
local terms energy: -281.461744
where:
bonds (distance) C4'-P energy: -49.694
bonds (distance) P-C4' energy: -51.988
flat angles C4'-P-C4' energy: -58.880
flat angles P-C4'-P energy: -45.101
tors. eta vs tors. theta energy: -75.800
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: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -850.333330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.333330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.333330 (E_RNA)
where:
Base-Base interactions energy: -581.530
where: short stacking energy: -258.711
Base-Backbone interact. energy: -1.597
local terms energy: -267.205916
where:
bonds (distance) C4'-P energy: -47.835
bonds (distance) P-C4' energy: -45.952
flat angles C4'-P-C4' energy: -59.832
flat angles P-C4'-P energy: -39.233
tors. eta vs tors. theta energy: -74.353
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: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -807.230186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.230186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.230186 (E_RNA)
where:
Base-Base interactions energy: -548.070
where: short stacking energy: -244.447
Base-Backbone interact. energy: 0.395
local terms energy: -259.555043
where:
bonds (distance) C4'-P energy: -41.365
bonds (distance) P-C4' energy: -53.142
flat angles C4'-P-C4' energy: -50.870
flat angles P-C4'-P energy: -37.210
tors. eta vs tors. theta energy: -76.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -727.419792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.419792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.419792 (E_RNA)
where:
Base-Base interactions energy: -516.374
where: short stacking energy: -213.609
Base-Backbone interact. energy: -1.847
local terms energy: -209.199234
where:
bonds (distance) C4'-P energy: -47.814
bonds (distance) P-C4' energy: -33.392
flat angles C4'-P-C4' energy: -55.532
flat angles P-C4'-P energy: -16.831
tors. eta vs tors. theta energy: -55.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -770.026872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.026872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.026872 (E_RNA)
where:
Base-Base interactions energy: -532.138
where: short stacking energy: -222.753
Base-Backbone interact. energy: -0.862
local terms energy: -237.026992
where:
bonds (distance) C4'-P energy: -42.072
bonds (distance) P-C4' energy: -36.187
flat angles C4'-P-C4' energy: -59.076
flat angles P-C4'-P energy: -33.936
tors. eta vs tors. theta energy: -65.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -443.361823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.361823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.361823 (E_RNA)
where:
Base-Base interactions energy: -247.277
where: short stacking energy: -119.174
Base-Backbone interact. energy: -0.056
local terms energy: -196.028582
where:
bonds (distance) C4'-P energy: -52.575
bonds (distance) P-C4' energy: -37.077
flat angles C4'-P-C4' energy: -50.553
flat angles P-C4'-P energy: -28.886
tors. eta vs tors. theta energy: -26.939
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: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -240.856675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.856675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.856675 (E_RNA)
where:
Base-Base interactions energy: -95.491
where: short stacking energy: -69.808
Base-Backbone interact. energy: 0.717
local terms energy: -146.082845
where:
bonds (distance) C4'-P energy: -40.300
bonds (distance) P-C4' energy: -50.632
flat angles C4'-P-C4' energy: -29.009
flat angles P-C4'-P energy: -28.015
tors. eta vs tors. theta energy: 1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -975.400819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.400819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.400819 (E_RNA)
where:
Base-Base interactions energy: -678.635
where: short stacking energy: -300.433
Base-Backbone interact. energy: -1.226
local terms energy: -295.539752
where:
bonds (distance) C4'-P energy: -43.061
bonds (distance) P-C4' energy: -54.808
flat angles C4'-P-C4' energy: -59.814
flat angles P-C4'-P energy: -47.954
tors. eta vs tors. theta energy: -89.903
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: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -947.102655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.102655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.102655 (E_RNA)
where:
Base-Base interactions energy: -672.437
where: short stacking energy: -283.303
Base-Backbone interact. energy: 1.196
local terms energy: -275.861763
where:
bonds (distance) C4'-P energy: -52.131
bonds (distance) P-C4' energy: -43.774
flat angles C4'-P-C4' energy: -59.111
flat angles P-C4'-P energy: -38.713
tors. eta vs tors. theta energy: -82.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -918.494758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.494758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.494758 (E_RNA)
where:
Base-Base interactions energy: -645.923
where: short stacking energy: -279.370
Base-Backbone interact. energy: -1.770
local terms energy: -270.801295
where:
bonds (distance) C4'-P energy: -46.569
bonds (distance) P-C4' energy: -54.290
flat angles C4'-P-C4' energy: -56.843
flat angles P-C4'-P energy: -35.095
tors. eta vs tors. theta energy: -78.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -863.957633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.957633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.957633 (E_RNA)
where:
Base-Base interactions energy: -591.388
where: short stacking energy: -256.534
Base-Backbone interact. energy: -0.439
local terms energy: -272.130746
where:
bonds (distance) C4'-P energy: -40.571
bonds (distance) P-C4' energy: -54.130
flat angles C4'-P-C4' energy: -55.860
flat angles P-C4'-P energy: -39.446
tors. eta vs tors. theta energy: -82.124
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: 5, replica: 7
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -835.583469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.583469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.583469 (E_RNA)
where:
Base-Base interactions energy: -569.727
where: short stacking energy: -248.610
Base-Backbone interact. energy: -0.333
local terms energy: -265.523118
where:
bonds (distance) C4'-P energy: -49.139
bonds (distance) P-C4' energy: -55.500
flat angles C4'-P-C4' energy: -48.690
flat angles P-C4'-P energy: -44.846
tors. eta vs tors. theta energy: -67.347
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: 6, replica: 1
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -793.637590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.637590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.637590 (E_RNA)
where:
Base-Base interactions energy: -537.210
where: short stacking energy: -248.126
Base-Backbone interact. energy: 0.209
local terms energy: -256.636536
where:
bonds (distance) C4'-P energy: -42.190
bonds (distance) P-C4' energy: -50.800
flat angles C4'-P-C4' energy: -50.599
flat angles P-C4'-P energy: -42.502
tors. eta vs tors. theta energy: -70.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -812.318913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.318913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.318913 (E_RNA)
where:
Base-Base interactions energy: -579.504
where: short stacking energy: -245.558
Base-Backbone interact. energy: -0.898
local terms energy: -231.916881
where:
bonds (distance) C4'-P energy: -49.916
bonds (distance) P-C4' energy: -38.498
flat angles C4'-P-C4' energy: -44.501
flat angles P-C4'-P energy: -28.701
tors. eta vs tors. theta energy: -70.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -719.756707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.756707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.756707 (E_RNA)
where:
Base-Base interactions energy: -491.882
where: short stacking energy: -184.203
Base-Backbone interact. energy: -1.149
local terms energy: -226.725600
where:
bonds (distance) C4'-P energy: -35.733
bonds (distance) P-C4' energy: -51.309
flat angles C4'-P-C4' energy: -57.942
flat angles P-C4'-P energy: -36.600
tors. eta vs tors. theta energy: -45.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -423.691231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.691231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.691231 (E_RNA)
where:
Base-Base interactions energy: -231.764
where: short stacking energy: -119.452
Base-Backbone interact. energy: -0.827
local terms energy: -191.100720
where:
bonds (distance) C4'-P energy: -52.347
bonds (distance) P-C4' energy: -46.833
flat angles C4'-P-C4' energy: -50.180
flat angles P-C4'-P energy: -22.984
tors. eta vs tors. theta energy: -18.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -236.959495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.959495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.959495 (E_RNA)
where:
Base-Base interactions energy: -76.684
where: short stacking energy: -74.016
Base-Backbone interact. energy: -0.062
local terms energy: -160.213473
where:
bonds (distance) C4'-P energy: -41.251
bonds (distance) P-C4' energy: -63.346
flat angles C4'-P-C4' energy: -35.091
flat angles P-C4'-P energy: -21.695
tors. eta vs tors. theta energy: 1.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -966.140322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.140322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.140322 (E_RNA)
where:
Base-Base interactions energy: -672.026
where: short stacking energy: -302.842
Base-Backbone interact. energy: 0.022
local terms energy: -294.136046
where:
bonds (distance) C4'-P energy: -51.867
bonds (distance) P-C4' energy: -49.897
flat angles C4'-P-C4' energy: -56.015
flat angles P-C4'-P energy: -45.579
tors. eta vs tors. theta energy: -90.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -946.721433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.721433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.721433 (E_RNA)
where:
Base-Base interactions energy: -652.558
where: short stacking energy: -273.511
Base-Backbone interact. energy: -0.899
local terms energy: -293.264186
where:
bonds (distance) C4'-P energy: -46.659
bonds (distance) P-C4' energy: -60.560
flat angles C4'-P-C4' energy: -55.089
flat angles P-C4'-P energy: -47.033
tors. eta vs tors. theta energy: -83.923
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: 427
Temperature: 1.000000
Total energy: -932.678638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.678638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.678638 (E_RNA)
where:
Base-Base interactions energy: -632.898
where: short stacking energy: -279.655
Base-Backbone interact. energy: -0.400
local terms energy: -299.381310
where:
bonds (distance) C4'-P energy: -57.846
bonds (distance) P-C4' energy: -52.693
flat angles C4'-P-C4' energy: -61.558
flat angles P-C4'-P energy: -39.777
tors. eta vs tors. theta energy: -87.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -852.480238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.480238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.480238 (E_RNA)
where:
Base-Base interactions energy: -606.042
where: short stacking energy: -254.787
Base-Backbone interact. energy: 1.463
local terms energy: -247.901458
where:
bonds (distance) C4'-P energy: -48.805
bonds (distance) P-C4' energy: -42.123
flat angles C4'-P-C4' energy: -50.611
flat angles P-C4'-P energy: -36.941
tors. eta vs tors. theta energy: -69.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -843.003054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.003054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.003054 (E_RNA)
where:
Base-Base interactions energy: -577.620
where: short stacking energy: -248.386
Base-Backbone interact. energy: -0.875
local terms energy: -264.508516
where:
bonds (distance) C4'-P energy: -48.904
bonds (distance) P-C4' energy: -42.004
flat angles C4'-P-C4' energy: -57.127
flat angles P-C4'-P energy: -40.537
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: 6, replica: 3
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -803.965065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.965065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.965065 (E_RNA)
where:
Base-Base interactions energy: -555.997
where: short stacking energy: -229.501
Base-Backbone interact. energy: -0.419
local terms energy: -247.549503
where:
bonds (distance) C4'-P energy: -45.893
bonds (distance) P-C4' energy: -52.904
flat angles C4'-P-C4' energy: -50.386
flat angles P-C4'-P energy: -37.974
tors. eta vs tors. theta energy: -60.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -777.391864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.391864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.391864 (E_RNA)
where:
Base-Base interactions energy: -531.168
where: short stacking energy: -222.612
Base-Backbone interact. energy: -0.780
local terms energy: -245.443960
where:
bonds (distance) C4'-P energy: -39.644
bonds (distance) P-C4' energy: -48.743
flat angles C4'-P-C4' energy: -53.097
flat angles P-C4'-P energy: -35.644
tors. eta vs tors. theta energy: -68.316
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: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -729.282612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.282612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.282612 (E_RNA)
where:
Base-Base interactions energy: -514.393
where: short stacking energy: -200.449
Base-Backbone interact. energy: 0.101
local terms energy: -214.990512
where:
bonds (distance) C4'-P energy: -40.549
bonds (distance) P-C4' energy: -52.011
flat angles C4'-P-C4' energy: -40.352
flat angles P-C4'-P energy: -35.023
tors. eta vs tors. theta energy: -47.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -427.041124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.041124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.041124 (E_RNA)
where:
Base-Base interactions energy: -252.694
where: short stacking energy: -136.238
Base-Backbone interact. energy: 1.894
local terms energy: -176.240263
where:
bonds (distance) C4'-P energy: -44.919
bonds (distance) P-C4' energy: -47.716
flat angles C4'-P-C4' energy: -27.101
flat angles P-C4'-P energy: -34.129
tors. eta vs tors. theta energy: -22.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -213.122254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.122254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.122254 (E_RNA)
where:
Base-Base interactions energy: -69.820
where: short stacking energy: -55.336
Base-Backbone interact. energy: -0.713
local terms energy: -142.589433
where:
bonds (distance) C4'-P energy: -47.714
bonds (distance) P-C4' energy: -41.575
flat angles C4'-P-C4' energy: -30.370
flat angles P-C4'-P energy: -32.577
tors. eta vs tors. theta energy: 9.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -944.602276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.602276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.602276 (E_RNA)
where:
Base-Base interactions energy: -659.599
where: short stacking energy: -288.015
Base-Backbone interact. energy: -1.502
local terms energy: -283.501305
where:
bonds (distance) C4'-P energy: -47.276
bonds (distance) P-C4' energy: -53.280
flat angles C4'-P-C4' energy: -60.164
flat angles P-C4'-P energy: -39.034
tors. eta vs tors. theta energy: -83.747
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: 2, replica: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -948.435936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.435936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.435936 (E_RNA)
where:
Base-Base interactions energy: -657.994
where: short stacking energy: -278.454
Base-Backbone interact. energy: -1.460
local terms energy: -288.982411
where:
bonds (distance) C4'-P energy: -48.379
bonds (distance) P-C4' energy: -57.808
flat angles C4'-P-C4' energy: -58.511
flat angles P-C4'-P energy: -42.054
tors. eta vs tors. theta energy: -82.231
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: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -905.028744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.028744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.028744 (E_RNA)
where:
Base-Base interactions energy: -621.532
where: short stacking energy: -279.991
Base-Backbone interact. energy: -1.052
local terms energy: -282.445457
where:
bonds (distance) C4'-P energy: -48.058
bonds (distance) P-C4' energy: -48.304
flat angles C4'-P-C4' energy: -58.570
flat angles P-C4'-P energy: -40.126
tors. eta vs tors. theta energy: -87.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -888.314752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.314752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.314752 (E_RNA)
where:
Base-Base interactions energy: -617.047
where: short stacking energy: -274.253
Base-Backbone interact. energy: 1.588
local terms energy: -272.855406
where:
bonds (distance) C4'-P energy: -45.036
bonds (distance) P-C4' energy: -49.530
flat angles C4'-P-C4' energy: -59.880
flat angles P-C4'-P energy: -37.896
tors. eta vs tors. theta energy: -80.514
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: 7
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -841.154809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.154809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.154809 (E_RNA)
where:
Base-Base interactions energy: -591.966
where: short stacking energy: -273.568
Base-Backbone interact. energy: -0.375
local terms energy: -248.813843
where:
bonds (distance) C4'-P energy: -40.290
bonds (distance) P-C4' energy: -36.021
flat angles C4'-P-C4' energy: -54.268
flat angles P-C4'-P energy: -40.128
tors. eta vs tors. theta energy: -78.107
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: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -790.194679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.194679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.194679 (E_RNA)
where:
Base-Base interactions energy: -556.558
where: short stacking energy: -219.949
Base-Backbone interact. energy: -1.158
local terms energy: -232.479040
where:
bonds (distance) C4'-P energy: -43.168
bonds (distance) P-C4' energy: -44.036
flat angles C4'-P-C4' energy: -56.760
flat angles P-C4'-P energy: -34.150
tors. eta vs tors. theta energy: -54.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -741.627928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.627928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.627928 (E_RNA)
where:
Base-Base interactions energy: -501.034
where: short stacking energy: -213.575
Base-Backbone interact. energy: -0.656
local terms energy: -239.937416
where:
bonds (distance) C4'-P energy: -36.307
bonds (distance) P-C4' energy: -49.168
flat angles C4'-P-C4' energy: -55.248
flat angles P-C4'-P energy: -39.882
tors. eta vs tors. theta energy: -59.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -703.557817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.557817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.557817 (E_RNA)
where:
Base-Base interactions energy: -486.955
where: short stacking energy: -191.905
Base-Backbone interact. energy: 1.690
local terms energy: -218.292694
where:
bonds (distance) C4'-P energy: -29.618
bonds (distance) P-C4' energy: -41.269
flat angles C4'-P-C4' energy: -55.366
flat angles P-C4'-P energy: -32.580
tors. eta vs tors. theta energy: -59.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -448.138853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.138853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.138853 (E_RNA)
where:
Base-Base interactions energy: -283.599
where: short stacking energy: -123.894
Base-Backbone interact. energy: 0.496
local terms energy: -165.035692
where:
bonds (distance) C4'-P energy: -31.499
bonds (distance) P-C4' energy: -45.253
flat angles C4'-P-C4' energy: -50.283
flat angles P-C4'-P energy: -23.910
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -229.864377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.864377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.864377 (E_RNA)
where:
Base-Base interactions energy: -71.616
where: short stacking energy: -70.182
Base-Backbone interact. energy: -0.685
local terms energy: -157.563367
where:
bonds (distance) C4'-P energy: -42.566
bonds (distance) P-C4' energy: -46.181
flat angles C4'-P-C4' energy: -44.450
flat angles P-C4'-P energy: -25.050
tors. eta vs tors. theta energy: 0.683
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: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -969.082017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.082017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.082017 (E_RNA)
where:
Base-Base interactions energy: -679.999
where: short stacking energy: -289.212
Base-Backbone interact. energy: -2.122
local terms energy: -286.960847
where:
bonds (distance) C4'-P energy: -49.616
bonds (distance) P-C4' energy: -48.522
flat angles C4'-P-C4' energy: -61.567
flat angles P-C4'-P energy: -43.957
tors. eta vs tors. theta energy: -83.300
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: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -942.691973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.691973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.691973 (E_RNA)
where:
Base-Base interactions energy: -646.472
where: short stacking energy: -284.681
Base-Backbone interact. energy: -0.105
local terms energy: -296.114783
where:
bonds (distance) C4'-P energy: -49.474
bonds (distance) P-C4' energy: -55.281
flat angles C4'-P-C4' energy: -63.448
flat angles P-C4'-P energy: -41.904
tors. eta vs tors. theta energy: -86.008
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: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -912.209463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.209463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.209463 (E_RNA)
where:
Base-Base interactions energy: -636.934
where: short stacking energy: -261.132
Base-Backbone interact. energy: -1.372
local terms energy: -273.903932
where:
bonds (distance) C4'-P energy: -49.662
bonds (distance) P-C4' energy: -45.001
flat angles C4'-P-C4' energy: -63.167
flat angles P-C4'-P energy: -36.693
tors. eta vs tors. theta energy: -79.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -865.038287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.038287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.038287 (E_RNA)
where:
Base-Base interactions energy: -589.220
where: short stacking energy: -255.952
Base-Backbone interact. energy: 0.655
local terms energy: -276.473019
where:
bonds (distance) C4'-P energy: -47.397
bonds (distance) P-C4' energy: -54.727
flat angles C4'-P-C4' energy: -58.273
flat angles P-C4'-P energy: -41.133
tors. eta vs tors. theta energy: -74.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -823.226340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.226340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.226340 (E_RNA)
where:
Base-Base interactions energy: -557.058
where: short stacking energy: -227.925
Base-Backbone interact. energy: 0.733
local terms energy: -266.901410
where:
bonds (distance) C4'-P energy: -48.517
bonds (distance) P-C4' energy: -53.563
flat angles C4'-P-C4' energy: -58.613
flat angles P-C4'-P energy: -36.624
tors. eta vs tors. theta energy: -69.585
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: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -798.433773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.433773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.433773 (E_RNA)
where:
Base-Base interactions energy: -552.404
where: short stacking energy: -238.270
Base-Backbone interact. energy: -1.172
local terms energy: -244.858164
where:
bonds (distance) C4'-P energy: -35.944
bonds (distance) P-C4' energy: -48.775
flat angles C4'-P-C4' energy: -57.599
flat angles P-C4'-P energy: -37.907
tors. eta vs tors. theta energy: -64.633
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: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -747.919931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.919931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.919931 (E_RNA)
where:
Base-Base interactions energy: -513.917
where: short stacking energy: -217.806
Base-Backbone interact. energy: 0.074
local terms energy: -234.077605
where:
bonds (distance) C4'-P energy: -45.956
bonds (distance) P-C4' energy: -41.259
flat angles C4'-P-C4' energy: -49.115
flat angles P-C4'-P energy: -35.755
tors. eta vs tors. theta energy: -61.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -720.534430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.534430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.534430 (E_RNA)
where:
Base-Base interactions energy: -490.958
where: short stacking energy: -204.759
Base-Backbone interact. energy: -1.069
local terms energy: -228.507431
where:
bonds (distance) C4'-P energy: -49.564
bonds (distance) P-C4' energy: -38.666
flat angles C4'-P-C4' energy: -49.388
flat angles P-C4'-P energy: -35.553
tors. eta vs tors. theta energy: -55.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -469.246287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.246287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.246287 (E_RNA)
where:
Base-Base interactions energy: -307.325
where: short stacking energy: -145.226
Base-Backbone interact. energy: -0.563
local terms energy: -161.358247
where:
bonds (distance) C4'-P energy: -38.786
bonds (distance) P-C4' energy: -44.700
flat angles C4'-P-C4' energy: -31.880
flat angles P-C4'-P energy: -17.141
tors. eta vs tors. theta energy: -28.852
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: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -235.353339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.353339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.353339 (E_RNA)
where:
Base-Base interactions energy: -79.607
where: short stacking energy: -64.359
Base-Backbone interact. energy: 1.237
local terms energy: -156.982782
where:
bonds (distance) C4'-P energy: -44.887
bonds (distance) P-C4' energy: -41.567
flat angles C4'-P-C4' energy: -47.871
flat angles P-C4'-P energy: -23.759
tors. eta vs tors. theta energy: 1.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -973.920121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.920121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.920121 (E_RNA)
where:
Base-Base interactions energy: -676.013
where: short stacking energy: -304.094
Base-Backbone interact. energy: -0.751
local terms energy: -297.156625
where:
bonds (distance) C4'-P energy: -46.966
bonds (distance) P-C4' energy: -52.980
flat angles C4'-P-C4' energy: -60.393
flat angles P-C4'-P energy: -45.891
tors. eta vs tors. theta energy: -90.927
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: 430
Temperature: 0.950000
Total energy: -961.908212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.908212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.908212 (E_RNA)
where:
Base-Base interactions energy: -669.363
where: short stacking energy: -296.439
Base-Backbone interact. energy: -0.827
local terms energy: -291.718517
where:
bonds (distance) C4'-P energy: -51.918
bonds (distance) P-C4' energy: -52.664
flat angles C4'-P-C4' energy: -61.178
flat angles P-C4'-P energy: -37.586
tors. eta vs tors. theta energy: -88.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -922.430370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.430370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.430370 (E_RNA)
where:
Base-Base interactions energy: -646.349
where: short stacking energy: -286.683
Base-Backbone interact. energy: -0.350
local terms energy: -275.731605
where:
bonds (distance) C4'-P energy: -46.660
bonds (distance) P-C4' energy: -47.786
flat angles C4'-P-C4' energy: -57.824
flat angles P-C4'-P energy: -37.940
tors. eta vs tors. theta energy: -85.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -891.852797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.852797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.852797 (E_RNA)
where:
Base-Base interactions energy: -613.343
where: short stacking energy: -262.788
Base-Backbone interact. energy: 0.936
local terms energy: -279.445555
where:
bonds (distance) C4'-P energy: -46.210
bonds (distance) P-C4' energy: -50.023
flat angles C4'-P-C4' energy: -63.407
flat angles P-C4'-P energy: -39.069
tors. eta vs tors. theta energy: -80.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -830.004916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.004916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.004916 (E_RNA)
where:
Base-Base interactions energy: -572.342
where: short stacking energy: -232.167
Base-Backbone interact. energy: -0.181
local terms energy: -257.481332
where:
bonds (distance) C4'-P energy: -48.313
bonds (distance) P-C4' energy: -43.724
flat angles C4'-P-C4' energy: -58.675
flat angles P-C4'-P energy: -38.047
tors. eta vs tors. theta energy: -68.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -799.789982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.789982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.789982 (E_RNA)
where:
Base-Base interactions energy: -557.996
where: short stacking energy: -226.282
Base-Backbone interact. energy: -1.575
local terms energy: -240.218667
where:
bonds (distance) C4'-P energy: -43.180
bonds (distance) P-C4' energy: -57.528
flat angles C4'-P-C4' energy: -49.009
flat angles P-C4'-P energy: -27.699
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: 7, replica: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -747.133323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.133323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.133323 (E_RNA)
where:
Base-Base interactions energy: -535.361
where: short stacking energy: -228.829
Base-Backbone interact. energy: -0.581
local terms energy: -211.191330
where:
bonds (distance) C4'-P energy: -35.904
bonds (distance) P-C4' energy: -42.629
flat angles C4'-P-C4' energy: -44.384
flat angles P-C4'-P energy: -31.659
tors. eta vs tors. theta energy: -56.616
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: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -721.027090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.027090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.027090 (E_RNA)
where:
Base-Base interactions energy: -503.822
where: short stacking energy: -216.655
Base-Backbone interact. energy: -1.922
local terms energy: -215.283243
where:
bonds (distance) C4'-P energy: -38.282
bonds (distance) P-C4' energy: -44.388
flat angles C4'-P-C4' energy: -41.947
flat angles P-C4'-P energy: -33.513
tors. eta vs tors. theta energy: -57.153
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: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -482.224375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.224375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.224375 (E_RNA)
where:
Base-Base interactions energy: -292.132
where: short stacking energy: -131.647
Base-Backbone interact. energy: -1.512
local terms energy: -188.580375
where:
bonds (distance) C4'-P energy: -48.226
bonds (distance) P-C4' energy: -41.927
flat angles C4'-P-C4' energy: -39.173
flat angles P-C4'-P energy: -32.532
tors. eta vs tors. theta energy: -26.721
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: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -229.259342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.259342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.259342 (E_RNA)
where:
Base-Base interactions energy: -79.238
where: short stacking energy: -74.486
Base-Backbone interact. energy: 5.551
local terms energy: -155.572093
where:
bonds (distance) C4'-P energy: -42.471
bonds (distance) P-C4' energy: -36.453
flat angles C4'-P-C4' energy: -47.666
flat angles P-C4'-P energy: -27.240
tors. eta vs tors. theta energy: -1.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -992.655786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.655786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.655786 (E_RNA)
where:
Base-Base interactions energy: -686.748
where: short stacking energy: -305.894
Base-Backbone interact. energy: -1.195
local terms energy: -304.712720
where:
bonds (distance) C4'-P energy: -54.500
bonds (distance) P-C4' energy: -58.213
flat angles C4'-P-C4' energy: -62.117
flat angles P-C4'-P energy: -38.240
tors. eta vs tors. theta energy: -91.642
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: 2, replica: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -938.139792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.139792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.139792 (E_RNA)
where:
Base-Base interactions energy: -657.661
where: short stacking energy: -277.376
Base-Backbone interact. energy: 1.009
local terms energy: -281.488172
where:
bonds (distance) C4'-P energy: -49.350
bonds (distance) P-C4' energy: -48.261
flat angles C4'-P-C4' energy: -58.421
flat angles P-C4'-P energy: -38.408
tors. eta vs tors. theta energy: -87.049
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: 3, replica: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -934.212762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.212762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.212762 (E_RNA)
where:
Base-Base interactions energy: -659.127
where: short stacking energy: -291.980
Base-Backbone interact. energy: -0.486
local terms energy: -274.599873
where:
bonds (distance) C4'-P energy: -46.119
bonds (distance) P-C4' energy: -43.366
flat angles C4'-P-C4' energy: -55.915
flat angles P-C4'-P energy: -43.903
tors. eta vs tors. theta energy: -85.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -871.434565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.434565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.434565 (E_RNA)
where:
Base-Base interactions energy: -607.086
where: short stacking energy: -257.925
Base-Backbone interact. energy: -1.244
local terms energy: -263.104373
where:
bonds (distance) C4'-P energy: -51.472
bonds (distance) P-C4' energy: -41.902
flat angles C4'-P-C4' energy: -57.943
flat angles P-C4'-P energy: -40.491
tors. eta vs tors. theta energy: -71.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -847.512658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.512658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.512658 (E_RNA)
where:
Base-Base interactions energy: -590.070
where: short stacking energy: -240.616
Base-Backbone interact. energy: -1.227
local terms energy: -256.216110
where:
bonds (distance) C4'-P energy: -46.438
bonds (distance) P-C4' energy: -44.043
flat angles C4'-P-C4' energy: -55.818
flat angles P-C4'-P energy: -43.083
tors. eta vs tors. theta energy: -66.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -777.413157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.413157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.413157 (E_RNA)
where:
Base-Base interactions energy: -551.589
where: short stacking energy: -228.057
Base-Backbone interact. energy: -1.961
local terms energy: -223.863353
where:
bonds (distance) C4'-P energy: -36.794
bonds (distance) P-C4' energy: -32.041
flat angles C4'-P-C4' energy: -54.950
flat angles P-C4'-P energy: -39.285
tors. eta vs tors. theta energy: -60.794
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: 431
Temperature: 1.200000
Total energy: -727.369000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.369000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.369000 (E_RNA)
where:
Base-Base interactions energy: -517.132
where: short stacking energy: -216.729
Base-Backbone interact. energy: 0.872
local terms energy: -211.109918
where:
bonds (distance) C4'-P energy: -33.200
bonds (distance) P-C4' energy: -54.256
flat angles C4'-P-C4' energy: -48.737
flat angles P-C4'-P energy: -25.665
tors. eta vs tors. theta energy: -49.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -710.073353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.073353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.073353 (E_RNA)
where:
Base-Base interactions energy: -494.069
where: short stacking energy: -216.237
Base-Backbone interact. energy: -0.781
local terms energy: -215.223803
where:
bonds (distance) C4'-P energy: -50.882
bonds (distance) P-C4' energy: -34.056
flat angles C4'-P-C4' energy: -46.438
flat angles P-C4'-P energy: -32.896
tors. eta vs tors. theta energy: -50.951
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: 10
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -475.855131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.855131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.855131 (E_RNA)
where:
Base-Base interactions energy: -300.563
where: short stacking energy: -141.436
Base-Backbone interact. energy: -0.064
local terms energy: -175.228491
where:
bonds (distance) C4'-P energy: -47.830
bonds (distance) P-C4' energy: -37.700
flat angles C4'-P-C4' energy: -44.912
flat angles P-C4'-P energy: -17.816
tors. eta vs tors. theta energy: -26.971
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: 10, replica: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -215.515418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.515418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.515418 (E_RNA)
where:
Base-Base interactions energy: -74.571
where: short stacking energy: -55.330
Base-Backbone interact. energy: -0.065
local terms energy: -140.880053
where:
bonds (distance) C4'-P energy: -47.284
bonds (distance) P-C4' energy: -51.414
flat angles C4'-P-C4' energy: -40.435
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: 11.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -974.046499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.046499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.046499 (E_RNA)
where:
Base-Base interactions energy: -679.568
where: short stacking energy: -287.529
Base-Backbone interact. energy: 2.178
local terms energy: -296.655936
where:
bonds (distance) C4'-P energy: -59.160
bonds (distance) P-C4' energy: -56.694
flat angles C4'-P-C4' energy: -63.000
flat angles P-C4'-P energy: -34.465
tors. eta vs tors. theta energy: -83.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -955.175760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.175760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.175760 (E_RNA)
where:
Base-Base interactions energy: -663.324
where: short stacking energy: -300.271
Base-Backbone interact. energy: -0.952
local terms energy: -290.899665
where:
bonds (distance) C4'-P energy: -52.997
bonds (distance) P-C4' energy: -46.676
flat angles C4'-P-C4' energy: -61.642
flat angles P-C4'-P energy: -41.673
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: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -900.330209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.330209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.330209 (E_RNA)
where:
Base-Base interactions energy: -627.345
where: short stacking energy: -273.451
Base-Backbone interact. energy: 0.382
local terms energy: -273.367870
where:
bonds (distance) C4'-P energy: -44.923
bonds (distance) P-C4' energy: -47.780
flat angles C4'-P-C4' energy: -60.041
flat angles P-C4'-P energy: -38.661
tors. eta vs tors. theta energy: -81.962
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: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -896.653073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.653073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.653073 (E_RNA)
where:
Base-Base interactions energy: -621.096
where: short stacking energy: -267.314
Base-Backbone interact. energy: -0.859
local terms energy: -274.697643
where:
bonds (distance) C4'-P energy: -48.069
bonds (distance) P-C4' energy: -50.805
flat angles C4'-P-C4' energy: -57.063
flat angles P-C4'-P energy: -43.260
tors. eta vs tors. theta energy: -75.500
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: 9
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -859.242346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.242346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.242346 (E_RNA)
where:
Base-Base interactions energy: -597.674
where: short stacking energy: -250.904
Base-Backbone interact. energy: 0.195
local terms energy: -261.762562
where:
bonds (distance) C4'-P energy: -52.870
bonds (distance) P-C4' energy: -55.330
flat angles C4'-P-C4' energy: -50.150
flat angles P-C4'-P energy: -33.402
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: 6, replica: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -794.507524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.507524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.507524 (E_RNA)
where:
Base-Base interactions energy: -559.593
where: short stacking energy: -232.138
Base-Backbone interact. energy: -0.903
local terms energy: -234.011541
where:
bonds (distance) C4'-P energy: -40.517
bonds (distance) P-C4' energy: -42.586
flat angles C4'-P-C4' energy: -52.912
flat angles P-C4'-P energy: -28.568
tors. eta vs tors. theta energy: -69.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -758.879704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.879704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.879704 (E_RNA)
where:
Base-Base interactions energy: -538.422
where: short stacking energy: -215.781
Base-Backbone interact. energy: -0.538
local terms energy: -219.920166
where:
bonds (distance) C4'-P energy: -30.125
bonds (distance) P-C4' energy: -49.050
flat angles C4'-P-C4' energy: -51.118
flat angles P-C4'-P energy: -37.410
tors. eta vs tors. theta energy: -52.216
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: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -722.539108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.539108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.539108 (E_RNA)
where:
Base-Base interactions energy: -501.726
where: short stacking energy: -218.047
Base-Backbone interact. energy: -0.285
local terms energy: -220.527723
where:
bonds (distance) C4'-P energy: -35.341
bonds (distance) P-C4' energy: -45.642
flat angles C4'-P-C4' energy: -52.402
flat angles P-C4'-P energy: -30.646
tors. eta vs tors. theta energy: -56.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -503.656921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.656921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.656921 (E_RNA)
where:
Base-Base interactions energy: -307.392
where: short stacking energy: -137.253
Base-Backbone interact. energy: -0.037
local terms energy: -196.227389
where:
bonds (distance) C4'-P energy: -45.275
bonds (distance) P-C4' energy: -44.617
flat angles C4'-P-C4' energy: -49.846
flat angles P-C4'-P energy: -29.558
tors. eta vs tors. theta energy: -26.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -219.635844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.635844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.635844 (E_RNA)
where:
Base-Base interactions energy: -71.627
where: short stacking energy: -70.072
Base-Backbone interact. energy: 2.888
local terms energy: -150.897129
where:
bonds (distance) C4'-P energy: -42.629
bonds (distance) P-C4' energy: -47.872
flat angles C4'-P-C4' energy: -44.188
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -0.871
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: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -967.483758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.483758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.483758 (E_RNA)
where:
Base-Base interactions energy: -685.934
where: short stacking energy: -290.680
Base-Backbone interact. energy: -0.115
local terms energy: -281.434573
where:
bonds (distance) C4'-P energy: -51.409
bonds (distance) P-C4' energy: -47.025
flat angles C4'-P-C4' energy: -62.822
flat angles P-C4'-P energy: -40.670
tors. eta vs tors. theta energy: -79.510
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: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -939.526068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.526068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.526068 (E_RNA)
where:
Base-Base interactions energy: -643.596
where: short stacking energy: -282.907
Base-Backbone interact. energy: -0.905
local terms energy: -295.024441
where:
bonds (distance) C4'-P energy: -48.467
bonds (distance) P-C4' energy: -57.022
flat angles C4'-P-C4' energy: -60.464
flat angles P-C4'-P energy: -38.901
tors. eta vs tors. theta energy: -90.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -885.425749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.425749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.425749 (E_RNA)
where:
Base-Base interactions energy: -612.143
where: short stacking energy: -263.637
Base-Backbone interact. energy: -0.606
local terms energy: -272.677281
where:
bonds (distance) C4'-P energy: -52.056
bonds (distance) P-C4' energy: -52.311
flat angles C4'-P-C4' energy: -64.110
flat angles P-C4'-P energy: -36.104
tors. eta vs tors. theta energy: -68.096
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: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -912.605475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.605475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.605475 (E_RNA)
where:
Base-Base interactions energy: -630.617
where: short stacking energy: -279.027
Base-Backbone interact. energy: -0.974
local terms energy: -281.014976
where:
bonds (distance) C4'-P energy: -50.030
bonds (distance) P-C4' energy: -42.951
flat angles C4'-P-C4' energy: -62.383
flat angles P-C4'-P energy: -47.565
tors. eta vs tors. theta energy: -78.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -849.021070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.021070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.021070 (E_RNA)
where:
Base-Base interactions energy: -585.744
where: short stacking energy: -246.867
Base-Backbone interact. energy: -1.998
local terms energy: -261.278854
where:
bonds (distance) C4'-P energy: -44.238
bonds (distance) P-C4' energy: -41.602
flat angles C4'-P-C4' energy: -61.125
flat angles P-C4'-P energy: -38.228
tors. eta vs tors. theta energy: -76.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -794.488675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.488675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.488675 (E_RNA)
where:
Base-Base interactions energy: -541.709
where: short stacking energy: -239.287
Base-Backbone interact. energy: -0.390
local terms energy: -252.389406
where:
bonds (distance) C4'-P energy: -45.832
bonds (distance) P-C4' energy: -46.383
flat angles C4'-P-C4' energy: -58.899
flat angles P-C4'-P energy: -38.143
tors. eta vs tors. theta energy: -63.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -775.874292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.874292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.874292 (E_RNA)
where:
Base-Base interactions energy: -556.695
where: short stacking energy: -227.863
Base-Backbone interact. energy: -0.843
local terms energy: -218.335434
where:
bonds (distance) C4'-P energy: -37.695
bonds (distance) P-C4' energy: -44.851
flat angles C4'-P-C4' energy: -52.143
flat angles P-C4'-P energy: -26.168
tors. eta vs tors. theta energy: -57.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -712.719275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.719275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.719275 (E_RNA)
where:
Base-Base interactions energy: -499.125
where: short stacking energy: -217.441
Base-Backbone interact. energy: -0.874
local terms energy: -212.719920
where:
bonds (distance) C4'-P energy: -35.204
bonds (distance) P-C4' energy: -42.264
flat angles C4'-P-C4' energy: -54.636
flat angles P-C4'-P energy: -28.059
tors. eta vs tors. theta energy: -52.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -487.212707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.212707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.212707 (E_RNA)
where:
Base-Base interactions energy: -304.101
where: short stacking energy: -147.515
Base-Backbone interact. energy: 0.195
local terms energy: -183.306425
where:
bonds (distance) C4'-P energy: -46.378
bonds (distance) P-C4' energy: -40.093
flat angles C4'-P-C4' energy: -49.459
flat angles P-C4'-P energy: -25.203
tors. eta vs tors. theta energy: -22.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -220.871609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.871609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.871609 (E_RNA)
where:
Base-Base interactions energy: -70.099
where: short stacking energy: -47.857
Base-Backbone interact. energy: 0.026
local terms energy: -150.797914
where:
bonds (distance) C4'-P energy: -44.102
bonds (distance) P-C4' energy: -46.361
flat angles C4'-P-C4' energy: -37.858
flat angles P-C4'-P energy: -28.138
tors. eta vs tors. theta energy: 5.660
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: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -966.635047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.635047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.635047 (E_RNA)
where:
Base-Base interactions energy: -672.636
where: short stacking energy: -286.115
Base-Backbone interact. energy: -0.871
local terms energy: -293.127551
where:
bonds (distance) C4'-P energy: -48.551
bonds (distance) P-C4' energy: -56.793
flat angles C4'-P-C4' energy: -60.123
flat angles P-C4'-P energy: -42.456
tors. eta vs tors. theta energy: -85.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -957.474683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.474683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.474683 (E_RNA)
where:
Base-Base interactions energy: -669.240
where: short stacking energy: -296.651
Base-Backbone interact. energy: -1.031
local terms energy: -287.203458
where:
bonds (distance) C4'-P energy: -46.701
bonds (distance) P-C4' energy: -54.971
flat angles C4'-P-C4' energy: -56.356
flat angles P-C4'-P energy: -39.855
tors. eta vs tors. theta energy: -89.321
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: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -923.658545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.658545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.658545 (E_RNA)
where:
Base-Base interactions energy: -628.435
where: short stacking energy: -264.002
Base-Backbone interact. energy: 0.433
local terms energy: -295.657238
where:
bonds (distance) C4'-P energy: -52.593
bonds (distance) P-C4' energy: -46.582
flat angles C4'-P-C4' energy: -62.968
flat angles P-C4'-P energy: -46.193
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: 4, replica: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -875.781960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.781960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.781960 (E_RNA)
where:
Base-Base interactions energy: -604.091
where: short stacking energy: -252.333
Base-Backbone interact. energy: -1.186
local terms energy: -270.505371
where:
bonds (distance) C4'-P energy: -48.754
bonds (distance) P-C4' energy: -55.262
flat angles C4'-P-C4' energy: -57.167
flat angles P-C4'-P energy: -35.368
tors. eta vs tors. theta energy: -73.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -810.470419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.470419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.470419 (E_RNA)
where:
Base-Base interactions energy: -556.017
where: short stacking energy: -241.926
Base-Backbone interact. energy: -1.025
local terms energy: -253.427742
where:
bonds (distance) C4'-P energy: -47.466
bonds (distance) P-C4' energy: -50.901
flat angles C4'-P-C4' energy: -58.324
flat angles P-C4'-P energy: -30.153
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: 9
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -825.059686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.059686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.059686 (E_RNA)
where:
Base-Base interactions energy: -559.749
where: short stacking energy: -240.978
Base-Backbone interact. energy: 1.454
local terms energy: -266.764244
where:
bonds (distance) C4'-P energy: -50.089
bonds (distance) P-C4' energy: -50.040
flat angles C4'-P-C4' energy: -57.008
flat angles P-C4'-P energy: -43.085
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: 3
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -789.054117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.054117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.054117 (E_RNA)
where:
Base-Base interactions energy: -553.106
where: short stacking energy: -234.823
Base-Backbone interact. energy: 0.914
local terms energy: -236.862028
where:
bonds (distance) C4'-P energy: -43.811
bonds (distance) P-C4' energy: -45.920
flat angles C4'-P-C4' energy: -50.129
flat angles P-C4'-P energy: -35.194
tors. eta vs tors. theta energy: -61.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -709.135461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.135461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.135461 (E_RNA)
where:
Base-Base interactions energy: -486.569
where: short stacking energy: -182.989
Base-Backbone interact. energy: -1.017
local terms energy: -221.550375
where:
bonds (distance) C4'-P energy: -44.385
bonds (distance) P-C4' energy: -46.424
flat angles C4'-P-C4' energy: -48.260
flat angles P-C4'-P energy: -25.815
tors. eta vs tors. theta energy: -56.667
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: 10
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -473.811259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.811259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.811259 (E_RNA)
where:
Base-Base interactions energy: -314.325
where: short stacking energy: -148.636
Base-Backbone interact. energy: 0.414
local terms energy: -159.900368
where:
bonds (distance) C4'-P energy: -33.966
bonds (distance) P-C4' energy: -43.963
flat angles C4'-P-C4' energy: -35.279
flat angles P-C4'-P energy: -21.529
tors. eta vs tors. theta energy: -25.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -222.739191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.739191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.739191 (E_RNA)
where:
Base-Base interactions energy: -69.492
where: short stacking energy: -53.443
Base-Backbone interact. energy: -0.084
local terms energy: -153.163701
where:
bonds (distance) C4'-P energy: -37.963
bonds (distance) P-C4' energy: -50.870
flat angles C4'-P-C4' energy: -38.614
flat angles P-C4'-P energy: -29.232
tors. eta vs tors. theta energy: 3.515
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: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -964.427298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.427298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.427298 (E_RNA)
where:
Base-Base interactions energy: -676.365
where: short stacking energy: -285.014
Base-Backbone interact. energy: 0.030
local terms energy: -288.092596
where:
bonds (distance) C4'-P energy: -51.896
bonds (distance) P-C4' energy: -53.478
flat angles C4'-P-C4' energy: -58.505
flat angles P-C4'-P energy: -39.277
tors. eta vs tors. theta energy: -84.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -952.302565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.302565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.302565 (E_RNA)
where:
Base-Base interactions energy: -665.828
where: short stacking energy: -292.640
Base-Backbone interact. energy: -1.081
local terms energy: -285.393211
where:
bonds (distance) C4'-P energy: -54.499
bonds (distance) P-C4' energy: -39.446
flat angles C4'-P-C4' energy: -61.445
flat angles P-C4'-P energy: -40.285
tors. eta vs tors. theta energy: -89.717
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: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -910.866579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.866579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.866579 (E_RNA)
where:
Base-Base interactions energy: -632.756
where: short stacking energy: -266.716
Base-Backbone interact. energy: 1.730
local terms energy: -279.839793
where:
bonds (distance) C4'-P energy: -41.895
bonds (distance) P-C4' energy: -55.478
flat angles C4'-P-C4' energy: -53.308
flat angles P-C4'-P energy: -46.848
tors. eta vs tors. theta energy: -82.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -871.141241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.141241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.141241 (E_RNA)
where:
Base-Base interactions energy: -616.858
where: short stacking energy: -259.354
Base-Backbone interact. energy: 0.759
local terms energy: -255.042099
where:
bonds (distance) C4'-P energy: -37.727
bonds (distance) P-C4' energy: -49.196
flat angles C4'-P-C4' energy: -47.505
flat angles P-C4'-P energy: -44.177
tors. eta vs tors. theta energy: -76.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -824.055672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.055672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.055672 (E_RNA)
where:
Base-Base interactions energy: -566.214
where: short stacking energy: -240.574
Base-Backbone interact. energy: -0.470
local terms energy: -257.371888
where:
bonds (distance) C4'-P energy: -49.423
bonds (distance) P-C4' energy: -33.197
flat angles C4'-P-C4' energy: -56.561
flat angles P-C4'-P energy: -42.769
tors. eta vs tors. theta energy: -75.422
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: 435
Temperature: 1.150000
Total energy: -812.559371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.559371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.559371 (E_RNA)
where:
Base-Base interactions energy: -555.637
where: short stacking energy: -238.203
Base-Backbone interact. energy: -0.377
local terms energy: -256.545633
where:
bonds (distance) C4'-P energy: -44.921
bonds (distance) P-C4' energy: -46.014
flat angles C4'-P-C4' energy: -57.977
flat angles P-C4'-P energy: -30.866
tors. eta vs tors. theta energy: -76.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -789.647565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.647565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.647565 (E_RNA)
where:
Base-Base interactions energy: -531.238
where: short stacking energy: -231.262
Base-Backbone interact. energy: 0.236
local terms energy: -258.645569
where:
bonds (distance) C4'-P energy: -48.860
bonds (distance) P-C4' energy: -43.414
flat angles C4'-P-C4' energy: -57.490
flat angles P-C4'-P energy: -41.345
tors. eta vs tors. theta energy: -67.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -719.165317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.165317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.165317 (E_RNA)
where:
Base-Base interactions energy: -504.859
where: short stacking energy: -222.564
Base-Backbone interact. energy: 1.850
local terms energy: -216.157202
where:
bonds (distance) C4'-P energy: -32.500
bonds (distance) P-C4' energy: -44.382
flat angles C4'-P-C4' energy: -54.795
flat angles P-C4'-P energy: -26.760
tors. eta vs tors. theta energy: -57.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -503.756880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.756880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.756880 (E_RNA)
where:
Base-Base interactions energy: -302.118
where: short stacking energy: -145.226
Base-Backbone interact. energy: 2.809
local terms energy: -204.447985
where:
bonds (distance) C4'-P energy: -50.857
bonds (distance) P-C4' energy: -40.212
flat angles C4'-P-C4' energy: -45.329
flat angles P-C4'-P energy: -33.892
tors. eta vs tors. theta energy: -34.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -238.757983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.757983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.757983 (E_RNA)
where:
Base-Base interactions energy: -97.796
where: short stacking energy: -81.058
Base-Backbone interact. energy: 4.453
local terms energy: -145.414565
where:
bonds (distance) C4'-P energy: -52.664
bonds (distance) P-C4' energy: -48.700
flat angles C4'-P-C4' energy: -39.029
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: 6.857
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: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -955.378043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.378043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.378043 (E_RNA)
where:
Base-Base interactions energy: -672.267
where: short stacking energy: -281.298
Base-Backbone interact. energy: -0.295
local terms energy: -282.815513
where:
bonds (distance) C4'-P energy: -56.740
bonds (distance) P-C4' energy: -48.622
flat angles C4'-P-C4' energy: -56.813
flat angles P-C4'-P energy: -44.136
tors. eta vs tors. theta energy: -76.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -953.938184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.938184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.938184 (E_RNA)
where:
Base-Base interactions energy: -672.002
where: short stacking energy: -282.581
Base-Backbone interact. energy: -1.226
local terms energy: -280.710058
where:
bonds (distance) C4'-P energy: -51.991
bonds (distance) P-C4' energy: -52.823
flat angles C4'-P-C4' energy: -59.275
flat angles P-C4'-P energy: -38.376
tors. eta vs tors. theta energy: -78.246
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: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -916.294400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.294400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.294400 (E_RNA)
where:
Base-Base interactions energy: -650.460
where: short stacking energy: -281.336
Base-Backbone interact. energy: 0.139
local terms energy: -265.973753
where:
bonds (distance) C4'-P energy: -43.739
bonds (distance) P-C4' energy: -37.835
flat angles C4'-P-C4' energy: -57.171
flat angles P-C4'-P energy: -38.224
tors. eta vs tors. theta energy: -89.004
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: 7
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -872.286535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.286535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.286535 (E_RNA)
where:
Base-Base interactions energy: -617.333
where: short stacking energy: -257.634
Base-Backbone interact. energy: -0.944
local terms energy: -254.009534
where:
bonds (distance) C4'-P energy: -44.233
bonds (distance) P-C4' energy: -45.591
flat angles C4'-P-C4' energy: -54.319
flat angles P-C4'-P energy: -34.217
tors. eta vs tors. theta energy: -75.649
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: 9
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -875.695030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.695030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.695030 (E_RNA)
where:
Base-Base interactions energy: -607.201
where: short stacking energy: -257.954
Base-Backbone interact. energy: 0.120
local terms energy: -268.613736
where:
bonds (distance) C4'-P energy: -45.034
bonds (distance) P-C4' energy: -49.027
flat angles C4'-P-C4' energy: -54.556
flat angles P-C4'-P energy: -41.074
tors. eta vs tors. theta energy: -78.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -816.652785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.652785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.652785 (E_RNA)
where:
Base-Base interactions energy: -556.165
where: short stacking energy: -229.457
Base-Backbone interact. energy: -0.180
local terms energy: -260.307587
where:
bonds (distance) C4'-P energy: -55.823
bonds (distance) P-C4' energy: -46.272
flat angles C4'-P-C4' energy: -53.734
flat angles P-C4'-P energy: -38.190
tors. eta vs tors. theta energy: -66.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -779.903368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.903368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.903368 (E_RNA)
where:
Base-Base interactions energy: -520.956
where: short stacking energy: -218.939
Base-Backbone interact. energy: -1.904
local terms energy: -257.042949
where:
bonds (distance) C4'-P energy: -53.364
bonds (distance) P-C4' energy: -47.409
flat angles C4'-P-C4' energy: -55.607
flat angles P-C4'-P energy: -39.690
tors. eta vs tors. theta energy: -60.974
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: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -712.918655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.918655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.918655 (E_RNA)
where:
Base-Base interactions energy: -485.779
where: short stacking energy: -213.632
Base-Backbone interact. energy: 0.123
local terms energy: -227.263006
where:
bonds (distance) C4'-P energy: -30.171
bonds (distance) P-C4' energy: -48.441
flat angles C4'-P-C4' energy: -57.911
flat angles P-C4'-P energy: -32.615
tors. eta vs tors. theta energy: -58.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -494.904507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.904507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.904507 (E_RNA)
where:
Base-Base interactions energy: -285.448
where: short stacking energy: -136.196
Base-Backbone interact. energy: 0.911
local terms energy: -210.367021
where:
bonds (distance) C4'-P energy: -50.032
bonds (distance) P-C4' energy: -61.646
flat angles C4'-P-C4' energy: -48.612
flat angles P-C4'-P energy: -25.789
tors. eta vs tors. theta energy: -24.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -224.607875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.607875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.607875 (E_RNA)
where:
Base-Base interactions energy: -89.559
where: short stacking energy: -71.936
Base-Backbone interact. energy: 0.505
local terms energy: -135.553810
where:
bonds (distance) C4'-P energy: -28.538
bonds (distance) P-C4' energy: -50.855
flat angles C4'-P-C4' energy: -37.525
flat angles P-C4'-P energy: -19.023
tors. eta vs tors. theta energy: 0.388
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: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -965.053696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.053696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.053696 (E_RNA)
where:
Base-Base interactions energy: -675.907
where: short stacking energy: -288.058
Base-Backbone interact. energy: -0.967
local terms energy: -288.179814
where:
bonds (distance) C4'-P energy: -47.954
bonds (distance) P-C4' energy: -50.844
flat angles C4'-P-C4' energy: -62.376
flat angles P-C4'-P energy: -40.278
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: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -950.758305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.758305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.758305 (E_RNA)
where:
Base-Base interactions energy: -643.657
where: short stacking energy: -285.259
Base-Backbone interact. energy: -1.654
local terms energy: -305.447213
where:
bonds (distance) C4'-P energy: -57.681
bonds (distance) P-C4' energy: -56.793
flat angles C4'-P-C4' energy: -63.129
flat angles P-C4'-P energy: -40.808
tors. eta vs tors. theta energy: -87.036
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: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -908.476572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.476572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.476572 (E_RNA)
where:
Base-Base interactions energy: -643.642
where: short stacking energy: -283.187
Base-Backbone interact. energy: -0.602
local terms energy: -264.232924
where:
bonds (distance) C4'-P energy: -34.135
bonds (distance) P-C4' energy: -53.878
flat angles C4'-P-C4' energy: -54.366
flat angles P-C4'-P energy: -40.099
tors. eta vs tors. theta energy: -81.755
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: 4, replica: 9
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -872.330424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.330424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.330424 (E_RNA)
where:
Base-Base interactions energy: -603.558
where: short stacking energy: -262.245
Base-Backbone interact. energy: 0.317
local terms energy: -269.090274
where:
bonds (distance) C4'-P energy: -42.674
bonds (distance) P-C4' energy: -44.165
flat angles C4'-P-C4' energy: -63.050
flat angles P-C4'-P energy: -40.620
tors. eta vs tors. theta energy: -78.582
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: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -846.620882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.620882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.620882 (E_RNA)
where:
Base-Base interactions energy: -581.440
where: short stacking energy: -244.880
Base-Backbone interact. energy: -2.044
local terms energy: -263.136629
where:
bonds (distance) C4'-P energy: -48.633
bonds (distance) P-C4' energy: -59.857
flat angles C4'-P-C4' energy: -51.348
flat angles P-C4'-P energy: -39.431
tors. eta vs tors. theta energy: -63.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -794.433596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.433596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.433596 (E_RNA)
where:
Base-Base interactions energy: -547.450
where: short stacking energy: -240.994
Base-Backbone interact. energy: 0.122
local terms energy: -247.105284
where:
bonds (distance) C4'-P energy: -50.315
bonds (distance) P-C4' energy: -44.909
flat angles C4'-P-C4' energy: -56.029
flat angles P-C4'-P energy: -29.788
tors. eta vs tors. theta energy: -66.064
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: 3
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -780.624237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.624237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.624237 (E_RNA)
where:
Base-Base interactions energy: -545.849
where: short stacking energy: -234.457
Base-Backbone interact. energy: -0.574
local terms energy: -234.201582
where:
bonds (distance) C4'-P energy: -40.854
bonds (distance) P-C4' energy: -47.376
flat angles C4'-P-C4' energy: -52.534
flat angles P-C4'-P energy: -27.535
tors. eta vs tors. theta energy: -65.902
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: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -728.528368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.528368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.528368 (E_RNA)
where:
Base-Base interactions energy: -504.384
where: short stacking energy: -210.032
Base-Backbone interact. energy: -0.265
local terms energy: -223.878940
where:
bonds (distance) C4'-P energy: -40.122
bonds (distance) P-C4' energy: -48.951
flat angles C4'-P-C4' energy: -51.533
flat angles P-C4'-P energy: -27.405
tors. eta vs tors. theta energy: -55.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -474.982747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.982747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.982747 (E_RNA)
where:
Base-Base interactions energy: -283.976
where: short stacking energy: -129.437
Base-Backbone interact. energy: 0.055
local terms energy: -191.060900
where:
bonds (distance) C4'-P energy: -58.559
bonds (distance) P-C4' energy: -46.938
flat angles C4'-P-C4' energy: -35.751
flat angles P-C4'-P energy: -28.549
tors. eta vs tors. theta energy: -21.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -233.159514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.159514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.159514 (E_RNA)
where:
Base-Base interactions energy: -65.774
where: short stacking energy: -48.003
Base-Backbone interact. energy: -0.035
local terms energy: -167.349930
where:
bonds (distance) C4'-P energy: -49.745
bonds (distance) P-C4' energy: -51.707
flat angles C4'-P-C4' energy: -43.146
flat angles P-C4'-P energy: -25.516
tors. eta vs tors. theta energy: 2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -969.503570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.503570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.503570 (E_RNA)
where:
Base-Base interactions energy: -669.961
where: short stacking energy: -288.738
Base-Backbone interact. energy: -2.087
local terms energy: -297.455831
where:
bonds (distance) C4'-P energy: -47.394
bonds (distance) P-C4' energy: -58.452
flat angles C4'-P-C4' energy: -62.656
flat angles P-C4'-P energy: -44.709
tors. eta vs tors. theta energy: -84.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -943.985879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.985879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.985879 (E_RNA)
where:
Base-Base interactions energy: -660.643
where: short stacking energy: -276.887
Base-Backbone interact. energy: -1.205
local terms energy: -282.137873
where:
bonds (distance) C4'-P energy: -47.576
bonds (distance) P-C4' energy: -47.138
flat angles C4'-P-C4' energy: -56.922
flat angles P-C4'-P energy: -44.521
tors. eta vs tors. theta energy: -85.981
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: 438
Temperature: 1.000000
Total energy: -900.754274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.754274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.754274 (E_RNA)
where:
Base-Base interactions energy: -621.245
where: short stacking energy: -267.697
Base-Backbone interact. energy: -1.074
local terms energy: -278.434976
where:
bonds (distance) C4'-P energy: -45.990
bonds (distance) P-C4' energy: -54.434
flat angles C4'-P-C4' energy: -53.909
flat angles P-C4'-P energy: -36.998
tors. eta vs tors. theta energy: -87.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -895.782144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.782144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.782144 (E_RNA)
where:
Base-Base interactions energy: -623.305
where: short stacking energy: -282.476
Base-Backbone interact. energy: -0.319
local terms energy: -272.158550
where:
bonds (distance) C4'-P energy: -51.825
bonds (distance) P-C4' energy: -42.271
flat angles C4'-P-C4' energy: -53.986
flat angles P-C4'-P energy: -38.844
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: 5, replica: 7
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -852.691379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.691379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.691379 (E_RNA)
where:
Base-Base interactions energy: -586.181
where: short stacking energy: -230.309
Base-Backbone interact. energy: 1.340
local terms energy: -267.850487
where:
bonds (distance) C4'-P energy: -48.258
bonds (distance) P-C4' energy: -51.292
flat angles C4'-P-C4' energy: -57.067
flat angles P-C4'-P energy: -43.828
tors. eta vs tors. theta energy: -67.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -795.974235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.974235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.974235 (E_RNA)
where:
Base-Base interactions energy: -529.639
where: short stacking energy: -234.918
Base-Backbone interact. energy: 2.219
local terms energy: -268.553266
where:
bonds (distance) C4'-P energy: -52.377
bonds (distance) P-C4' energy: -46.858
flat angles C4'-P-C4' energy: -59.509
flat angles P-C4'-P energy: -39.704
tors. eta vs tors. theta energy: -70.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -773.072989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.072989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.072989 (E_RNA)
where:
Base-Base interactions energy: -524.960
where: short stacking energy: -225.218
Base-Backbone interact. energy: -0.596
local terms energy: -247.517513
where:
bonds (distance) C4'-P energy: -48.078
bonds (distance) P-C4' energy: -52.942
flat angles C4'-P-C4' energy: -52.427
flat angles P-C4'-P energy: -35.995
tors. eta vs tors. theta energy: -58.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -702.646655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.646655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.646655 (E_RNA)
where:
Base-Base interactions energy: -475.201
where: short stacking energy: -188.033
Base-Backbone interact. energy: 1.190
local terms energy: -228.634930
where:
bonds (distance) C4'-P energy: -42.556
bonds (distance) P-C4' energy: -49.441
flat angles C4'-P-C4' energy: -57.061
flat angles P-C4'-P energy: -25.355
tors. eta vs tors. theta energy: -54.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -539.060493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.060493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.060493 (E_RNA)
where:
Base-Base interactions energy: -339.880
where: short stacking energy: -143.743
Base-Backbone interact. energy: -0.680
local terms energy: -198.501111
where:
bonds (distance) C4'-P energy: -44.558
bonds (distance) P-C4' energy: -50.709
flat angles C4'-P-C4' energy: -47.298
flat angles P-C4'-P energy: -24.876
tors. eta vs tors. theta energy: -31.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -220.202844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.202844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.202844 (E_RNA)
where:
Base-Base interactions energy: -80.458
where: short stacking energy: -55.490
Base-Backbone interact. energy: 1.188
local terms energy: -140.932527
where:
bonds (distance) C4'-P energy: -40.164
bonds (distance) P-C4' energy: -43.903
flat angles C4'-P-C4' energy: -35.358
flat angles P-C4'-P energy: -24.111
tors. eta vs tors. theta energy: 2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -964.633625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.633625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.633625 (E_RNA)
where:
Base-Base interactions energy: -648.700
where: short stacking energy: -286.853
Base-Backbone interact. energy: -2.422
local terms energy: -313.512390
where:
bonds (distance) C4'-P energy: -47.290
bonds (distance) P-C4' energy: -57.789
flat angles C4'-P-C4' energy: -65.591
flat angles P-C4'-P energy: -51.442
tors. eta vs tors. theta energy: -91.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -937.717422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.717422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.717422 (E_RNA)
where:
Base-Base interactions energy: -647.640
where: short stacking energy: -290.021
Base-Backbone interact. energy: -0.677
local terms energy: -289.401218
where:
bonds (distance) C4'-P energy: -55.382
bonds (distance) P-C4' energy: -54.835
flat angles C4'-P-C4' energy: -52.739
flat angles P-C4'-P energy: -37.519
tors. eta vs tors. theta energy: -88.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -900.022149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.022149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.022149 (E_RNA)
where:
Base-Base interactions energy: -624.999
where: short stacking energy: -272.046
Base-Backbone interact. energy: -1.551
local terms energy: -273.471884
where:
bonds (distance) C4'-P energy: -52.646
bonds (distance) P-C4' energy: -45.849
flat angles C4'-P-C4' energy: -54.657
flat angles P-C4'-P energy: -39.840
tors. eta vs tors. theta energy: -80.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -910.744544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.744544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.744544 (E_RNA)
where:
Base-Base interactions energy: -634.660
where: short stacking energy: -280.133
Base-Backbone interact. energy: -0.820
local terms energy: -275.264046
where:
bonds (distance) C4'-P energy: -47.602
bonds (distance) P-C4' energy: -42.893
flat angles C4'-P-C4' energy: -59.147
flat angles P-C4'-P energy: -42.089
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: 5, replica: 7
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -858.890934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.890934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.890934 (E_RNA)
where:
Base-Base interactions energy: -599.331
where: short stacking energy: -265.975
Base-Backbone interact. energy: -0.366
local terms energy: -259.193932
where:
bonds (distance) C4'-P energy: -44.631
bonds (distance) P-C4' energy: -44.563
flat angles C4'-P-C4' energy: -51.383
flat angles P-C4'-P energy: -39.055
tors. eta vs tors. theta energy: -79.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -785.634846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.634846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.634846 (E_RNA)
where:
Base-Base interactions energy: -541.374
where: short stacking energy: -220.422
Base-Backbone interact. energy: -0.610
local terms energy: -243.650887
where:
bonds (distance) C4'-P energy: -42.040
bonds (distance) P-C4' energy: -53.551
flat angles C4'-P-C4' energy: -55.214
flat angles P-C4'-P energy: -35.137
tors. eta vs tors. theta energy: -57.709
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: 7, replica: 3
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -770.557722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.557722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.557722 (E_RNA)
where:
Base-Base interactions energy: -519.804
where: short stacking energy: -213.794
Base-Backbone interact. energy: -0.448
local terms energy: -250.306390
where:
bonds (distance) C4'-P energy: -49.361
bonds (distance) P-C4' energy: -52.003
flat angles C4'-P-C4' energy: -54.962
flat angles P-C4'-P energy: -31.073
tors. eta vs tors. theta energy: -62.908
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: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -715.130964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.130964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.130964 (E_RNA)
where:
Base-Base interactions energy: -481.483
where: short stacking energy: -194.997
Base-Backbone interact. energy: -0.257
local terms energy: -233.391102
where:
bonds (distance) C4'-P energy: -43.316
bonds (distance) P-C4' energy: -54.817
flat angles C4'-P-C4' energy: -49.358
flat angles P-C4'-P energy: -36.415
tors. eta vs tors. theta energy: -49.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -503.412658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.412658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.412658 (E_RNA)
where:
Base-Base interactions energy: -298.291
where: short stacking energy: -151.671
Base-Backbone interact. energy: -0.541
local terms energy: -204.580406
where:
bonds (distance) C4'-P energy: -41.492
bonds (distance) P-C4' energy: -50.655
flat angles C4'-P-C4' energy: -48.667
flat angles P-C4'-P energy: -32.493
tors. eta vs tors. theta energy: -31.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -232.419029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.419029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.419029 (E_RNA)
where:
Base-Base interactions energy: -95.194
where: short stacking energy: -72.994
Base-Backbone interact. energy: -1.455
local terms energy: -135.769163
where:
bonds (distance) C4'-P energy: -35.928
bonds (distance) P-C4' energy: -45.765
flat angles C4'-P-C4' energy: -39.590
flat angles P-C4'-P energy: -22.442
tors. eta vs tors. theta energy: 7.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -948.507804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.507804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.507804 (E_RNA)
where:
Base-Base interactions energy: -656.985
where: short stacking energy: -289.227
Base-Backbone interact. energy: 0.358
local terms energy: -291.880123
where:
bonds (distance) C4'-P energy: -50.427
bonds (distance) P-C4' energy: -56.372
flat angles C4'-P-C4' energy: -61.923
flat angles P-C4'-P energy: -38.432
tors. eta vs tors. theta energy: -84.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -943.284251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.284251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.284251 (E_RNA)
where:
Base-Base interactions energy: -650.711
where: short stacking energy: -280.784
Base-Backbone interact. energy: 0.100
local terms energy: -292.672577
where:
bonds (distance) C4'-P energy: -51.588
bonds (distance) P-C4' energy: -53.261
flat angles C4'-P-C4' energy: -56.397
flat angles P-C4'-P energy: -46.678
tors. eta vs tors. theta energy: -84.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -938.287909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.287909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.287909 (E_RNA)
where:
Base-Base interactions energy: -651.034
where: short stacking energy: -288.750
Base-Backbone interact. energy: -0.579
local terms energy: -286.674384
where:
bonds (distance) C4'-P energy: -47.969
bonds (distance) P-C4' energy: -52.191
flat angles C4'-P-C4' energy: -56.379
flat angles P-C4'-P energy: -42.624
tors. eta vs tors. theta energy: -87.511
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: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -878.628803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.628803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.628803 (E_RNA)
where:
Base-Base interactions energy: -612.766
where: short stacking energy: -258.117
Base-Backbone interact. energy: 0.115
local terms energy: -265.978483
where:
bonds (distance) C4'-P energy: -39.248
bonds (distance) P-C4' energy: -47.175
flat angles C4'-P-C4' energy: -53.466
flat angles P-C4'-P energy: -45.862
tors. eta vs tors. theta energy: -80.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -852.896683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.896683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.896683 (E_RNA)
where:
Base-Base interactions energy: -585.014
where: short stacking energy: -240.090
Base-Backbone interact. energy: 0.220
local terms energy: -268.102987
where:
bonds (distance) C4'-P energy: -47.609
bonds (distance) P-C4' energy: -48.532
flat angles C4'-P-C4' energy: -61.571
flat angles P-C4'-P energy: -39.411
tors. eta vs tors. theta energy: -70.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -779.385130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.385130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.385130 (E_RNA)
where:
Base-Base interactions energy: -554.103
where: short stacking energy: -230.005
Base-Backbone interact. energy: -0.113
local terms energy: -225.169541
where:
bonds (distance) C4'-P energy: -35.744
bonds (distance) P-C4' energy: -36.583
flat angles C4'-P-C4' energy: -56.008
flat angles P-C4'-P energy: -33.503
tors. eta vs tors. theta energy: -63.330
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: 7, replica: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -777.991590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.991590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.991590 (E_RNA)
where:
Base-Base interactions energy: -531.817
where: short stacking energy: -232.913
Base-Backbone interact. energy: 0.324
local terms energy: -246.498844
where:
bonds (distance) C4'-P energy: -43.119
bonds (distance) P-C4' energy: -39.837
flat angles C4'-P-C4' energy: -56.141
flat angles P-C4'-P energy: -37.374
tors. eta vs tors. theta energy: -70.028
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: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -721.190076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.190076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.190076 (E_RNA)
where:
Base-Base interactions energy: -500.196
where: short stacking energy: -212.300
Base-Backbone interact. energy: -0.375
local terms energy: -220.618676
where:
bonds (distance) C4'-P energy: -43.501
bonds (distance) P-C4' energy: -43.450
flat angles C4'-P-C4' energy: -56.237
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -61.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -489.997380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.997380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.997380 (E_RNA)
where:
Base-Base interactions energy: -299.912
where: short stacking energy: -152.665
Base-Backbone interact. energy: -0.536
local terms energy: -189.549340
where:
bonds (distance) C4'-P energy: -34.726
bonds (distance) P-C4' energy: -48.201
flat angles C4'-P-C4' energy: -32.115
flat angles P-C4'-P energy: -33.845
tors. eta vs tors. theta energy: -40.663
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: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -227.170322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.170322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.170322 (E_RNA)
where:
Base-Base interactions energy: -102.418
where: short stacking energy: -57.923
Base-Backbone interact. energy: 1.281
local terms energy: -126.033867
where:
bonds (distance) C4'-P energy: -43.399
bonds (distance) P-C4' energy: -51.544
flat angles C4'-P-C4' energy: -35.831
flat angles P-C4'-P energy: -5.455
tors. eta vs tors. theta energy: 10.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -969.247340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.247340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.247340 (E_RNA)
where:
Base-Base interactions energy: -677.937
where: short stacking energy: -293.131
Base-Backbone interact. energy: -1.202
local terms energy: -290.108496
where:
bonds (distance) C4'-P energy: -47.749
bonds (distance) P-C4' energy: -60.639
flat angles C4'-P-C4' energy: -56.573
flat angles P-C4'-P energy: -39.161
tors. eta vs tors. theta energy: -85.986
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: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -973.286331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.286331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.286331 (E_RNA)
where:
Base-Base interactions energy: -676.546
where: short stacking energy: -284.921
Base-Backbone interact. energy: 4.204
local terms energy: -300.944185
where:
bonds (distance) C4'-P energy: -54.739
bonds (distance) P-C4' energy: -50.586
flat angles C4'-P-C4' energy: -62.362
flat angles P-C4'-P energy: -48.001
tors. eta vs tors. theta energy: -85.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -928.543039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.543039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.543039 (E_RNA)
where:
Base-Base interactions energy: -644.300
where: short stacking energy: -278.348
Base-Backbone interact. energy: -0.632
local terms energy: -283.610623
where:
bonds (distance) C4'-P energy: -46.602
bonds (distance) P-C4' energy: -55.730
flat angles C4'-P-C4' energy: -51.359
flat angles P-C4'-P energy: -45.439
tors. eta vs tors. theta energy: -84.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -917.575884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.575884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.575884 (E_RNA)
where:
Base-Base interactions energy: -639.025
where: short stacking energy: -266.899
Base-Backbone interact. energy: -0.928
local terms energy: -277.623035
where:
bonds (distance) C4'-P energy: -53.540
bonds (distance) P-C4' energy: -45.929
flat angles C4'-P-C4' energy: -58.028
flat angles P-C4'-P energy: -42.284
tors. eta vs tors. theta energy: -77.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -850.835524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.835524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.835524 (E_RNA)
where:
Base-Base interactions energy: -596.507
where: short stacking energy: -259.382
Base-Backbone interact. energy: 0.608
local terms energy: -254.936847
where:
bonds (distance) C4'-P energy: -47.423
bonds (distance) P-C4' energy: -44.627
flat angles C4'-P-C4' energy: -54.509
flat angles P-C4'-P energy: -34.112
tors. eta vs tors. theta energy: -74.266
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: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -808.535771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.535771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.535771 (E_RNA)
where:
Base-Base interactions energy: -565.532
where: short stacking energy: -243.453
Base-Backbone interact. energy: 0.692
local terms energy: -243.696119
where:
bonds (distance) C4'-P energy: -39.510
bonds (distance) P-C4' energy: -49.632
flat angles C4'-P-C4' energy: -50.438
flat angles P-C4'-P energy: -36.488
tors. eta vs tors. theta energy: -67.628
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: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -772.886182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.886182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.886182 (E_RNA)
where:
Base-Base interactions energy: -543.818
where: short stacking energy: -223.572
Base-Backbone interact. energy: 0.528
local terms energy: -229.595711
where:
bonds (distance) C4'-P energy: -40.933
bonds (distance) P-C4' energy: -49.642
flat angles C4'-P-C4' energy: -50.341
flat angles P-C4'-P energy: -26.683
tors. eta vs tors. theta energy: -61.997
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: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -717.159995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.159995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.159995 (E_RNA)
where:
Base-Base interactions energy: -479.030
where: short stacking energy: -203.217
Base-Backbone interact. energy: -0.477
local terms energy: -237.652709
where:
bonds (distance) C4'-P energy: -49.467
bonds (distance) P-C4' energy: -50.900
flat angles C4'-P-C4' energy: -47.630
flat angles P-C4'-P energy: -31.659
tors. eta vs tors. theta energy: -57.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -490.852435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.852435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.852435 (E_RNA)
where:
Base-Base interactions energy: -310.843
where: short stacking energy: -165.585
Base-Backbone interact. energy: 0.106
local terms energy: -180.115585
where:
bonds (distance) C4'-P energy: -43.882
bonds (distance) P-C4' energy: -29.222
flat angles C4'-P-C4' energy: -45.948
flat angles P-C4'-P energy: -27.644
tors. eta vs tors. theta energy: -33.419
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: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -231.858376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.858376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.858376 (E_RNA)
where:
Base-Base interactions energy: -72.057
where: short stacking energy: -70.034
Base-Backbone interact. energy: -0.371
local terms energy: -159.430413
where:
bonds (distance) C4'-P energy: -52.912
bonds (distance) P-C4' energy: -52.259
flat angles C4'-P-C4' energy: -39.061
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -0.091
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: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -946.187372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.187372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.187372 (E_RNA)
where:
Base-Base interactions energy: -661.389
where: short stacking energy: -289.844
Base-Backbone interact. energy: -1.239
local terms energy: -283.559371
where:
bonds (distance) C4'-P energy: -49.664
bonds (distance) P-C4' energy: -50.951
flat angles C4'-P-C4' energy: -54.849
flat angles P-C4'-P energy: -42.118
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: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -961.443357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.443357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.443357 (E_RNA)
where:
Base-Base interactions energy: -676.793
where: short stacking energy: -298.802
Base-Backbone interact. energy: -0.432
local terms energy: -284.218266
where:
bonds (distance) C4'-P energy: -51.085
bonds (distance) P-C4' energy: -46.731
flat angles C4'-P-C4' energy: -60.840
flat angles P-C4'-P energy: -43.771
tors. eta vs tors. theta energy: -81.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -940.390555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.390555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.390555 (E_RNA)
where:
Base-Base interactions energy: -656.672
where: short stacking energy: -281.860
Base-Backbone interact. energy: 0.628
local terms energy: -284.346988
where:
bonds (distance) C4'-P energy: -49.142
bonds (distance) P-C4' energy: -55.702
flat angles C4'-P-C4' energy: -55.901
flat angles P-C4'-P energy: -39.208
tors. eta vs tors. theta energy: -84.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -923.047976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.047976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.047976 (E_RNA)
where:
Base-Base interactions energy: -662.463
where: short stacking energy: -270.246
Base-Backbone interact. energy: 0.004
local terms energy: -260.589687
where:
bonds (distance) C4'-P energy: -30.790
bonds (distance) P-C4' energy: -52.612
flat angles C4'-P-C4' energy: -55.924
flat angles P-C4'-P energy: -34.775
tors. eta vs tors. theta energy: -86.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -844.451653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.451653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.451653 (E_RNA)
where:
Base-Base interactions energy: -600.474
where: short stacking energy: -246.555
Base-Backbone interact. energy: 0.884
local terms energy: -244.862511
where:
bonds (distance) C4'-P energy: -38.748
bonds (distance) P-C4' energy: -43.842
flat angles C4'-P-C4' energy: -55.564
flat angles P-C4'-P energy: -38.972
tors. eta vs tors. theta energy: -67.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -793.104913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.104913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.104913 (E_RNA)
where:
Base-Base interactions energy: -540.049
where: short stacking energy: -220.748
Base-Backbone interact. energy: 1.007
local terms energy: -254.063588
where:
bonds (distance) C4'-P energy: -51.053
bonds (distance) P-C4' energy: -50.886
flat angles C4'-P-C4' energy: -56.445
flat angles P-C4'-P energy: -36.258
tors. eta vs tors. theta energy: -59.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -813.750063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.750063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.750063 (E_RNA)
where:
Base-Base interactions energy: -563.403
where: short stacking energy: -240.532
Base-Backbone interact. energy: -0.548
local terms energy: -249.799923
where:
bonds (distance) C4'-P energy: -45.461
bonds (distance) P-C4' energy: -53.152
flat angles C4'-P-C4' energy: -55.505
flat angles P-C4'-P energy: -30.693
tors. eta vs tors. theta energy: -64.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -711.026263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.026263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.026263 (E_RNA)
where:
Base-Base interactions energy: -508.984
where: short stacking energy: -200.630
Base-Backbone interact. energy: 0.196
local terms energy: -202.237932
where:
bonds (distance) C4'-P energy: -39.710
bonds (distance) P-C4' energy: -33.981
flat angles C4'-P-C4' energy: -43.284
flat angles P-C4'-P energy: -38.484
tors. eta vs tors. theta energy: -46.779
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: 10
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -479.949182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.949182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.949182 (E_RNA)
where:
Base-Base interactions energy: -307.110
where: short stacking energy: -143.021
Base-Backbone interact. energy: 2.566
local terms energy: -175.405043
where:
bonds (distance) C4'-P energy: -36.855
bonds (distance) P-C4' energy: -45.046
flat angles C4'-P-C4' energy: -44.511
flat angles P-C4'-P energy: -27.821
tors. eta vs tors. theta energy: -21.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -246.445622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.445622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.445622 (E_RNA)
where:
Base-Base interactions energy: -89.009
where: short stacking energy: -83.729
Base-Backbone interact. energy: 0.334
local terms energy: -157.770471
where:
bonds (distance) C4'-P energy: -38.408
bonds (distance) P-C4' energy: -50.474
flat angles C4'-P-C4' energy: -36.456
flat angles P-C4'-P energy: -26.995
tors. eta vs tors. theta energy: -5.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -968.728505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.728505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.728505 (E_RNA)
where:
Base-Base interactions energy: -672.247
where: short stacking energy: -288.343
Base-Backbone interact. energy: -0.044
local terms energy: -296.437438
where:
bonds (distance) C4'-P energy: -57.497
bonds (distance) P-C4' energy: -59.975
flat angles C4'-P-C4' energy: -59.266
flat angles P-C4'-P energy: -36.045
tors. eta vs tors. theta energy: -83.655
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: 9
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -958.164601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.164601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.164601 (E_RNA)
where:
Base-Base interactions energy: -659.736
where: short stacking energy: -300.318
Base-Backbone interact. energy: -1.051
local terms energy: -297.377739
where:
bonds (distance) C4'-P energy: -50.770
bonds (distance) P-C4' energy: -56.520
flat angles C4'-P-C4' energy: -61.320
flat angles P-C4'-P energy: -40.348
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: 3, replica: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -932.327147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.327147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.327147 (E_RNA)
where:
Base-Base interactions energy: -651.472
where: short stacking energy: -276.355
Base-Backbone interact. energy: 0.872
local terms energy: -281.727704
where:
bonds (distance) C4'-P energy: -50.905
bonds (distance) P-C4' energy: -53.358
flat angles C4'-P-C4' energy: -49.507
flat angles P-C4'-P energy: -42.203
tors. eta vs tors. theta energy: -85.755
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: 4, replica: 7
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -871.256160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.256160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.256160 (E_RNA)
where:
Base-Base interactions energy: -597.964
where: short stacking energy: -251.636
Base-Backbone interact. energy: -0.114
local terms energy: -273.178182
where:
bonds (distance) C4'-P energy: -48.187
bonds (distance) P-C4' energy: -43.593
flat angles C4'-P-C4' energy: -64.022
flat angles P-C4'-P energy: -36.608
tors. eta vs tors. theta energy: -80.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -883.389659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.389659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.389659 (E_RNA)
where:
Base-Base interactions energy: -610.602
where: short stacking energy: -263.698
Base-Backbone interact. energy: 3.445
local terms energy: -276.232700
where:
bonds (distance) C4'-P energy: -50.400
bonds (distance) P-C4' energy: -54.620
flat angles C4'-P-C4' energy: -55.928
flat angles P-C4'-P energy: -35.848
tors. eta vs tors. theta energy: -79.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -792.056130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.056130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.056130 (E_RNA)
where:
Base-Base interactions energy: -533.130
where: short stacking energy: -224.236
Base-Backbone interact. energy: -0.676
local terms energy: -258.249676
where:
bonds (distance) C4'-P energy: -50.017
bonds (distance) P-C4' energy: -47.345
flat angles C4'-P-C4' energy: -53.910
flat angles P-C4'-P energy: -43.291
tors. eta vs tors. theta energy: -63.687
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: 7, replica: 3
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -731.554100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.554100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.554100 (E_RNA)
where:
Base-Base interactions energy: -497.555
where: short stacking energy: -201.213
Base-Backbone interact. energy: 3.062
local terms energy: -237.061790
where:
bonds (distance) C4'-P energy: -41.388
bonds (distance) P-C4' energy: -53.463
flat angles C4'-P-C4' energy: -54.242
flat angles P-C4'-P energy: -31.576
tors. eta vs tors. theta energy: -56.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -708.917919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.917919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.917919 (E_RNA)
where:
Base-Base interactions energy: -482.242
where: short stacking energy: -192.189
Base-Backbone interact. energy: -0.823
local terms energy: -225.852729
where:
bonds (distance) C4'-P energy: -29.588
bonds (distance) P-C4' energy: -55.077
flat angles C4'-P-C4' energy: -52.935
flat angles P-C4'-P energy: -35.893
tors. eta vs tors. theta energy: -52.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -497.429731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.429731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.429731 (E_RNA)
where:
Base-Base interactions energy: -292.491
where: short stacking energy: -131.710
Base-Backbone interact. energy: -1.497
local terms energy: -203.441580
where:
bonds (distance) C4'-P energy: -46.901
bonds (distance) P-C4' energy: -52.822
flat angles C4'-P-C4' energy: -43.460
flat angles P-C4'-P energy: -32.908
tors. eta vs tors. theta energy: -27.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -250.309773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.309773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.309773 (E_RNA)
where:
Base-Base interactions energy: -106.679
where: short stacking energy: -69.324
Base-Backbone interact. energy: -1.159
local terms energy: -142.471567
where:
bonds (distance) C4'-P energy: -45.218
bonds (distance) P-C4' energy: -49.599
flat angles C4'-P-C4' energy: -32.268
flat angles P-C4'-P energy: -28.148
tors. eta vs tors. theta energy: 12.761
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: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -969.284008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.284008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.284008 (E_RNA)
where:
Base-Base interactions energy: -668.283
where: short stacking energy: -287.262
Base-Backbone interact. energy: -1.438
local terms energy: -299.563220
where:
bonds (distance) C4'-P energy: -58.216
bonds (distance) P-C4' energy: -56.189
flat angles C4'-P-C4' energy: -57.112
flat angles P-C4'-P energy: -45.616
tors. eta vs tors. theta energy: -82.431
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: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -948.441621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.441621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.441621 (E_RNA)
where:
Base-Base interactions energy: -651.519
where: short stacking energy: -281.671
Base-Backbone interact. energy: -1.020
local terms energy: -295.902301
where:
bonds (distance) C4'-P energy: -51.782
bonds (distance) P-C4' energy: -55.978
flat angles C4'-P-C4' energy: -61.195
flat angles P-C4'-P energy: -37.286
tors. eta vs tors. theta energy: -89.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -929.520645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.520645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.520645 (E_RNA)
where:
Base-Base interactions energy: -643.127
where: short stacking energy: -286.018
Base-Backbone interact. energy: 1.072
local terms energy: -287.466253
where:
bonds (distance) C4'-P energy: -49.494
bonds (distance) P-C4' energy: -50.184
flat angles C4'-P-C4' energy: -58.073
flat angles P-C4'-P energy: -43.027
tors. eta vs tors. theta energy: -86.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -875.327170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.327170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.327170 (E_RNA)
where:
Base-Base interactions energy: -607.608
where: short stacking energy: -272.328
Base-Backbone interact. energy: -1.686
local terms energy: -266.033752
where:
bonds (distance) C4'-P energy: -53.847
bonds (distance) P-C4' energy: -48.163
flat angles C4'-P-C4' energy: -56.635
flat angles P-C4'-P energy: -28.710
tors. eta vs tors. theta energy: -78.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -865.581315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.581315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.581315 (E_RNA)
where:
Base-Base interactions energy: -604.373
where: short stacking energy: -255.200
Base-Backbone interact. energy: -1.027
local terms energy: -260.181730
where:
bonds (distance) C4'-P energy: -41.883
bonds (distance) P-C4' energy: -54.845
flat angles C4'-P-C4' energy: -52.597
flat angles P-C4'-P energy: -37.211
tors. eta vs tors. theta energy: -73.645
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: 444
Temperature: 1.150000
Total energy: -792.729525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.729525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.729525 (E_RNA)
where:
Base-Base interactions energy: -551.323
where: short stacking energy: -220.747
Base-Backbone interact. energy: -0.324
local terms energy: -241.082506
where:
bonds (distance) C4'-P energy: -35.332
bonds (distance) P-C4' energy: -50.756
flat angles C4'-P-C4' energy: -60.832
flat angles P-C4'-P energy: -30.033
tors. eta vs tors. theta energy: -64.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -728.302372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.302372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.302372 (E_RNA)
where:
Base-Base interactions energy: -499.193
where: short stacking energy: -209.954
Base-Backbone interact. energy: 2.442
local terms energy: -231.551492
where:
bonds (distance) C4'-P energy: -47.871
bonds (distance) P-C4' energy: -38.327
flat angles C4'-P-C4' energy: -59.230
flat angles P-C4'-P energy: -29.252
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: 3
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -725.326116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.326116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.326116 (E_RNA)
where:
Base-Base interactions energy: -485.810
where: short stacking energy: -207.628
Base-Backbone interact. energy: 0.147
local terms energy: -239.663027
where:
bonds (distance) C4'-P energy: -41.800
bonds (distance) P-C4' energy: -43.245
flat angles C4'-P-C4' energy: -61.660
flat angles P-C4'-P energy: -36.319
tors. eta vs tors. theta energy: -56.640
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: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -503.567339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.567339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.567339 (E_RNA)
where:
Base-Base interactions energy: -295.599
where: short stacking energy: -129.388
Base-Backbone interact. energy: 0.847
local terms energy: -208.814854
where:
bonds (distance) C4'-P energy: -45.590
bonds (distance) P-C4' energy: -56.928
flat angles C4'-P-C4' energy: -36.947
flat angles P-C4'-P energy: -38.169
tors. eta vs tors. theta energy: -31.182
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: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -234.076242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.076242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.076242 (E_RNA)
where:
Base-Base interactions energy: -86.793
where: short stacking energy: -67.717
Base-Backbone interact. energy: 1.780
local terms energy: -149.062768
where:
bonds (distance) C4'-P energy: -45.295
bonds (distance) P-C4' energy: -44.685
flat angles C4'-P-C4' energy: -48.865
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: 7.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -961.448232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.448232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.448232 (E_RNA)
where:
Base-Base interactions energy: -667.791
where: short stacking energy: -286.825
Base-Backbone interact. energy: -0.779
local terms energy: -292.878757
where:
bonds (distance) C4'-P energy: -48.460
bonds (distance) P-C4' energy: -50.165
flat angles C4'-P-C4' energy: -62.359
flat angles P-C4'-P energy: -45.055
tors. eta vs tors. theta energy: -86.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -966.515630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.515630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.515630 (E_RNA)
where:
Base-Base interactions energy: -662.267
where: short stacking energy: -274.884
Base-Backbone interact. energy: -0.992
local terms energy: -303.256175
where:
bonds (distance) C4'-P energy: -55.755
bonds (distance) P-C4' energy: -60.979
flat angles C4'-P-C4' energy: -61.400
flat angles P-C4'-P energy: -41.372
tors. eta vs tors. theta energy: -83.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -933.844871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.844871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.844871 (E_RNA)
where:
Base-Base interactions energy: -658.012
where: short stacking energy: -282.329
Base-Backbone interact. energy: 0.180
local terms energy: -276.013297
where:
bonds (distance) C4'-P energy: -48.395
bonds (distance) P-C4' energy: -38.155
flat angles C4'-P-C4' energy: -60.261
flat angles P-C4'-P energy: -41.119
tors. eta vs tors. theta energy: -88.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -901.054626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.054626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.054626 (E_RNA)
where:
Base-Base interactions energy: -615.550
where: short stacking energy: -269.672
Base-Backbone interact. energy: -0.683
local terms energy: -284.821575
where:
bonds (distance) C4'-P energy: -38.930
bonds (distance) P-C4' energy: -53.178
flat angles C4'-P-C4' energy: -62.995
flat angles P-C4'-P energy: -50.163
tors. eta vs tors. theta energy: -79.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -871.346030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.346030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.346030 (E_RNA)
where:
Base-Base interactions energy: -618.285
where: short stacking energy: -267.083
Base-Backbone interact. energy: -1.211
local terms energy: -251.849568
where:
bonds (distance) C4'-P energy: -36.133
bonds (distance) P-C4' energy: -40.578
flat angles C4'-P-C4' energy: -57.946
flat angles P-C4'-P energy: -33.911
tors. eta vs tors. theta energy: -83.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -783.376615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.376615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.376615 (E_RNA)
where:
Base-Base interactions energy: -538.372
where: short stacking energy: -233.498
Base-Backbone interact. energy: -1.754
local terms energy: -243.250916
where:
bonds (distance) C4'-P energy: -42.175
bonds (distance) P-C4' energy: -51.281
flat angles C4'-P-C4' energy: -49.363
flat angles P-C4'-P energy: -32.847
tors. eta vs tors. theta energy: -67.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -729.657075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.657075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.657075 (E_RNA)
where:
Base-Base interactions energy: -501.720
where: short stacking energy: -217.414
Base-Backbone interact. energy: -1.874
local terms energy: -226.063379
where:
bonds (distance) C4'-P energy: -51.155
bonds (distance) P-C4' energy: -46.599
flat angles C4'-P-C4' energy: -42.405
flat angles P-C4'-P energy: -27.345
tors. eta vs tors. theta energy: -58.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -739.253677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.253677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.253677 (E_RNA)
where:
Base-Base interactions energy: -538.005
where: short stacking energy: -226.558
Base-Backbone interact. energy: -0.342
local terms energy: -200.907124
where:
bonds (distance) C4'-P energy: -30.513
bonds (distance) P-C4' energy: -32.999
flat angles C4'-P-C4' energy: -46.818
flat angles P-C4'-P energy: -30.798
tors. eta vs tors. theta energy: -59.779
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: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -475.935531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.935531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.935531 (E_RNA)
where:
Base-Base interactions energy: -287.183
where: short stacking energy: -140.916
Base-Backbone interact. energy: 1.482
local terms energy: -190.234506
where:
bonds (distance) C4'-P energy: -43.782
bonds (distance) P-C4' energy: -48.115
flat angles C4'-P-C4' energy: -45.216
flat angles P-C4'-P energy: -26.616
tors. eta vs tors. theta energy: -26.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -219.680835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.680835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.680835 (E_RNA)
where:
Base-Base interactions energy: -76.247
where: short stacking energy: -70.254
Base-Backbone interact. energy: -1.414
local terms energy: -142.018989
where:
bonds (distance) C4'-P energy: -41.637
bonds (distance) P-C4' energy: -41.040
flat angles C4'-P-C4' energy: -29.149
flat angles P-C4'-P energy: -24.885
tors. eta vs tors. theta energy: -5.308
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: 9
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -985.767511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.767511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.767511 (E_RNA)
where:
Base-Base interactions energy: -677.889
where: short stacking energy: -288.312
Base-Backbone interact. energy: 3.428
local terms energy: -311.305667
where:
bonds (distance) C4'-P energy: -62.815
bonds (distance) P-C4' energy: -55.121
flat angles C4'-P-C4' energy: -63.968
flat angles P-C4'-P energy: -40.361
tors. eta vs tors. theta energy: -89.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -932.660103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.660103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.660103 (E_RNA)
where:
Base-Base interactions energy: -661.033
where: short stacking energy: -284.868
Base-Backbone interact. energy: 2.607
local terms energy: -274.234203
where:
bonds (distance) C4'-P energy: -43.033
bonds (distance) P-C4' energy: -55.968
flat angles C4'-P-C4' energy: -52.611
flat angles P-C4'-P energy: -40.562
tors. eta vs tors. theta energy: -82.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -934.004867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.004867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.004867 (E_RNA)
where:
Base-Base interactions energy: -632.248
where: short stacking energy: -271.150
Base-Backbone interact. energy: -0.612
local terms energy: -301.144905
where:
bonds (distance) C4'-P energy: -52.933
bonds (distance) P-C4' energy: -52.435
flat angles C4'-P-C4' energy: -61.364
flat angles P-C4'-P energy: -42.151
tors. eta vs tors. theta energy: -92.262
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: 7
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -893.246448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.246448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.246448 (E_RNA)
where:
Base-Base interactions energy: -624.485
where: short stacking energy: -273.818
Base-Backbone interact. energy: 0.635
local terms energy: -269.396084
where:
bonds (distance) C4'-P energy: -51.491
bonds (distance) P-C4' energy: -50.322
flat angles C4'-P-C4' energy: -54.495
flat angles P-C4'-P energy: -28.819
tors. eta vs tors. theta energy: -84.268
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: 5, replica: 4
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -873.972586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.972586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.972586 (E_RNA)
where:
Base-Base interactions energy: -612.870
where: short stacking energy: -259.166
Base-Backbone interact. energy: -2.192
local terms energy: -258.911389
where:
bonds (distance) C4'-P energy: -45.860
bonds (distance) P-C4' energy: -41.326
flat angles C4'-P-C4' energy: -55.988
flat angles P-C4'-P energy: -40.777
tors. eta vs tors. theta energy: -74.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -782.451521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.451521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.451521 (E_RNA)
where:
Base-Base interactions energy: -538.110
where: short stacking energy: -235.720
Base-Backbone interact. energy: -0.684
local terms energy: -243.657706
where:
bonds (distance) C4'-P energy: -41.342
bonds (distance) P-C4' energy: -57.048
flat angles C4'-P-C4' energy: -48.274
flat angles P-C4'-P energy: -30.684
tors. eta vs tors. theta energy: -66.310
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: 7, replica: 3
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -739.645071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.645071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.645071 (E_RNA)
where:
Base-Base interactions energy: -501.884
where: short stacking energy: -207.032
Base-Backbone interact. energy: -0.810
local terms energy: -236.950501
where:
bonds (distance) C4'-P energy: -51.464
bonds (distance) P-C4' energy: -46.812
flat angles C4'-P-C4' energy: -62.300
flat angles P-C4'-P energy: -20.802
tors. eta vs tors. theta energy: -55.573
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: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -709.431607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.431607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.431607 (E_RNA)
where:
Base-Base interactions energy: -491.113
where: short stacking energy: -205.611
Base-Backbone interact. energy: 0.121
local terms energy: -218.439989
where:
bonds (distance) C4'-P energy: -45.173
bonds (distance) P-C4' energy: -49.286
flat angles C4'-P-C4' energy: -50.732
flat angles P-C4'-P energy: -20.265
tors. eta vs tors. theta energy: -52.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -418.392078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.392078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.392078 (E_RNA)
where:
Base-Base interactions energy: -244.398
where: short stacking energy: -126.997
Base-Backbone interact. energy: 4.383
local terms energy: -178.377106
where:
bonds (distance) C4'-P energy: -50.303
bonds (distance) P-C4' energy: -44.516
flat angles C4'-P-C4' energy: -45.816
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -19.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -251.232131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.232131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.232131 (E_RNA)
where:
Base-Base interactions energy: -102.639
where: short stacking energy: -75.727
Base-Backbone interact. energy: -1.047
local terms energy: -147.545622
where:
bonds (distance) C4'-P energy: -48.748
bonds (distance) P-C4' energy: -40.716
flat angles C4'-P-C4' energy: -48.846
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: 8.221
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: 1, replica: 9
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -976.584137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.584137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.584137 (E_RNA)
where:
Base-Base interactions energy: -678.845
where: short stacking energy: -307.138
Base-Backbone interact. energy: -1.542
local terms energy: -296.196526
where:
bonds (distance) C4'-P energy: -44.613
bonds (distance) P-C4' energy: -57.157
flat angles C4'-P-C4' energy: -62.351
flat angles P-C4'-P energy: -44.685
tors. eta vs tors. theta energy: -87.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -945.509889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.509889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.509889 (E_RNA)
where:
Base-Base interactions energy: -659.923
where: short stacking energy: -284.239
Base-Backbone interact. energy: -1.162
local terms energy: -284.424636
where:
bonds (distance) C4'-P energy: -39.848
bonds (distance) P-C4' energy: -54.854
flat angles C4'-P-C4' energy: -58.804
flat angles P-C4'-P energy: -43.327
tors. eta vs tors. theta energy: -87.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -909.446486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.446486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.446486 (E_RNA)
where:
Base-Base interactions energy: -649.043
where: short stacking energy: -273.449
Base-Backbone interact. energy: 5.176
local terms energy: -265.579242
where:
bonds (distance) C4'-P energy: -39.776
bonds (distance) P-C4' energy: -53.673
flat angles C4'-P-C4' energy: -55.530
flat angles P-C4'-P energy: -37.552
tors. eta vs tors. theta energy: -79.048
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: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -893.577154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.577154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.577154 (E_RNA)
where:
Base-Base interactions energy: -618.385
where: short stacking energy: -263.954
Base-Backbone interact. energy: -1.417
local terms energy: -273.774969
where:
bonds (distance) C4'-P energy: -48.486
bonds (distance) P-C4' energy: -50.165
flat angles C4'-P-C4' energy: -62.484
flat angles P-C4'-P energy: -34.555
tors. eta vs tors. theta energy: -78.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -856.870364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.870364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.870364 (E_RNA)
where:
Base-Base interactions energy: -597.546
where: short stacking energy: -263.078
Base-Backbone interact. energy: -1.701
local terms energy: -257.623264
where:
bonds (distance) C4'-P energy: -51.930
bonds (distance) P-C4' energy: -50.347
flat angles C4'-P-C4' energy: -52.555
flat angles P-C4'-P energy: -31.452
tors. eta vs tors. theta energy: -71.339
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: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -770.282096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.282096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.282096 (E_RNA)
where:
Base-Base interactions energy: -528.802
where: short stacking energy: -216.818
Base-Backbone interact. energy: 1.074
local terms energy: -242.554617
where:
bonds (distance) C4'-P energy: -47.604
bonds (distance) P-C4' energy: -49.085
flat angles C4'-P-C4' energy: -54.629
flat angles P-C4'-P energy: -31.722
tors. eta vs tors. theta energy: -59.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -773.058092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.058092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.058092 (E_RNA)
where:
Base-Base interactions energy: -530.595
where: short stacking energy: -228.697
Base-Backbone interact. energy: -0.867
local terms energy: -241.595691
where:
bonds (distance) C4'-P energy: -46.212
bonds (distance) P-C4' energy: -49.215
flat angles C4'-P-C4' energy: -49.400
flat angles P-C4'-P energy: -31.352
tors. eta vs tors. theta energy: -65.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -713.044168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.044168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.044168 (E_RNA)
where:
Base-Base interactions energy: -493.996
where: short stacking energy: -205.336
Base-Backbone interact. energy: -0.671
local terms energy: -218.377231
where:
bonds (distance) C4'-P energy: -44.466
bonds (distance) P-C4' energy: -45.338
flat angles C4'-P-C4' energy: -46.564
flat angles P-C4'-P energy: -32.532
tors. eta vs tors. theta energy: -49.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -371.440278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.440278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.440278 (E_RNA)
where:
Base-Base interactions energy: -198.931
where: short stacking energy: -104.189
Base-Backbone interact. energy: -0.844
local terms energy: -171.665583
where:
bonds (distance) C4'-P energy: -41.540
bonds (distance) P-C4' energy: -47.981
flat angles C4'-P-C4' energy: -50.538
flat angles P-C4'-P energy: -21.793
tors. eta vs tors. theta energy: -9.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -256.083586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.083586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.083586 (E_RNA)
where:
Base-Base interactions energy: -110.458
where: short stacking energy: -86.389
Base-Backbone interact. energy: -0.415
local terms energy: -145.211112
where:
bonds (distance) C4'-P energy: -41.789
bonds (distance) P-C4' energy: -37.773
flat angles C4'-P-C4' energy: -44.051
flat angles P-C4'-P energy: -20.213
tors. eta vs tors. theta energy: -1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -986.154949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.154949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.154949 (E_RNA)
where:
Base-Base interactions energy: -671.447
where: short stacking energy: -287.892
Base-Backbone interact. energy: -1.400
local terms energy: -313.307474
where:
bonds (distance) C4'-P energy: -57.939
bonds (distance) P-C4' energy: -52.546
flat angles C4'-P-C4' energy: -59.868
flat angles P-C4'-P energy: -49.971
tors. eta vs tors. theta energy: -92.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -953.438848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.438848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.438848 (E_RNA)
where:
Base-Base interactions energy: -654.599
where: short stacking energy: -289.018
Base-Backbone interact. energy: -1.006
local terms energy: -297.833271
where:
bonds (distance) C4'-P energy: -52.914
bonds (distance) P-C4' energy: -50.059
flat angles C4'-P-C4' energy: -62.445
flat angles P-C4'-P energy: -40.888
tors. eta vs tors. theta energy: -91.527
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: 3, replica: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -939.338787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.338787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.338787 (E_RNA)
where:
Base-Base interactions energy: -647.296
where: short stacking energy: -276.952
Base-Backbone interact. energy: -0.152
local terms energy: -291.891247
where:
bonds (distance) C4'-P energy: -46.203
bonds (distance) P-C4' energy: -49.394
flat angles C4'-P-C4' energy: -65.936
flat angles P-C4'-P energy: -43.157
tors. eta vs tors. theta energy: -87.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -902.141980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.141980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.141980 (E_RNA)
where:
Base-Base interactions energy: -623.571
where: short stacking energy: -261.583
Base-Backbone interact. energy: -1.202
local terms energy: -277.369232
where:
bonds (distance) C4'-P energy: -54.669
bonds (distance) P-C4' energy: -49.228
flat angles C4'-P-C4' energy: -51.949
flat angles P-C4'-P energy: -43.765
tors. eta vs tors. theta energy: -77.759
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: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -836.275322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.275322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.275322 (E_RNA)
where:
Base-Base interactions energy: -577.579
where: short stacking energy: -263.513
Base-Backbone interact. energy: 2.677
local terms energy: -261.373974
where:
bonds (distance) C4'-P energy: -48.507
bonds (distance) P-C4' energy: -48.887
flat angles C4'-P-C4' energy: -53.756
flat angles P-C4'-P energy: -36.491
tors. eta vs tors. theta energy: -73.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -787.175037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.175037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.175037 (E_RNA)
where:
Base-Base interactions energy: -544.570
where: short stacking energy: -232.762
Base-Backbone interact. energy: -0.519
local terms energy: -242.085220
where:
bonds (distance) C4'-P energy: -41.245
bonds (distance) P-C4' energy: -48.587
flat angles C4'-P-C4' energy: -53.558
flat angles P-C4'-P energy: -37.040
tors. eta vs tors. theta energy: -61.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -769.222227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.222227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.222227 (E_RNA)
where:
Base-Base interactions energy: -544.259
where: short stacking energy: -227.674
Base-Backbone interact. energy: -1.499
local terms energy: -223.464845
where:
bonds (distance) C4'-P energy: -45.715
bonds (distance) P-C4' energy: -31.785
flat angles C4'-P-C4' energy: -52.019
flat angles P-C4'-P energy: -29.592
tors. eta vs tors. theta energy: -64.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -724.485946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.485946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.485946 (E_RNA)
where:
Base-Base interactions energy: -485.991
where: short stacking energy: -205.470
Base-Backbone interact. energy: -0.918
local terms energy: -237.576588
where:
bonds (distance) C4'-P energy: -50.999
bonds (distance) P-C4' energy: -42.979
flat angles C4'-P-C4' energy: -44.294
flat angles P-C4'-P energy: -38.325
tors. eta vs tors. theta energy: -60.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -368.342348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.342348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.342348 (E_RNA)
where:
Base-Base interactions energy: -208.743
where: short stacking energy: -117.395
Base-Backbone interact. energy: -1.395
local terms energy: -158.204025
where:
bonds (distance) C4'-P energy: -26.031
bonds (distance) P-C4' energy: -44.321
flat angles C4'-P-C4' energy: -46.279
flat angles P-C4'-P energy: -20.903
tors. eta vs tors. theta energy: -20.671
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: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -219.647818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.647818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.647818 (E_RNA)
where:
Base-Base interactions energy: -82.170
where: short stacking energy: -64.156
Base-Backbone interact. energy: 1.436
local terms energy: -138.913440
where:
bonds (distance) C4'-P energy: -45.282
bonds (distance) P-C4' energy: -52.509
flat angles C4'-P-C4' energy: -34.750
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: 12.208
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: 1, replica: 9
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -959.472606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.472606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.472606 (E_RNA)
where:
Base-Base interactions energy: -662.942
where: short stacking energy: -280.890
Base-Backbone interact. energy: -0.797
local terms energy: -295.733551
where:
bonds (distance) C4'-P energy: -52.241
bonds (distance) P-C4' energy: -60.045
flat angles C4'-P-C4' energy: -62.292
flat angles P-C4'-P energy: -33.503
tors. eta vs tors. theta energy: -87.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -948.900316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.900316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.900316 (E_RNA)
where:
Base-Base interactions energy: -652.848
where: short stacking energy: -274.029
Base-Backbone interact. energy: -1.044
local terms energy: -295.008875
where:
bonds (distance) C4'-P energy: -50.644
bonds (distance) P-C4' energy: -54.717
flat angles C4'-P-C4' energy: -58.412
flat angles P-C4'-P energy: -46.121
tors. eta vs tors. theta energy: -85.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -935.394888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.394888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.394888 (E_RNA)
where:
Base-Base interactions energy: -651.082
where: short stacking energy: -289.058
Base-Backbone interact. energy: -0.407
local terms energy: -283.905485
where:
bonds (distance) C4'-P energy: -39.814
bonds (distance) P-C4' energy: -51.871
flat angles C4'-P-C4' energy: -58.924
flat angles P-C4'-P energy: -45.586
tors. eta vs tors. theta energy: -87.711
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: 4, replica: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -913.222037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.222037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.222037 (E_RNA)
where:
Base-Base interactions energy: -626.640
where: short stacking energy: -270.157
Base-Backbone interact. energy: -0.911
local terms energy: -285.671066
where:
bonds (distance) C4'-P energy: -53.497
bonds (distance) P-C4' energy: -55.617
flat angles C4'-P-C4' energy: -58.966
flat angles P-C4'-P energy: -37.179
tors. eta vs tors. theta energy: -80.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -827.918414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.918414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.918414 (E_RNA)
where:
Base-Base interactions energy: -565.775
where: short stacking energy: -248.000
Base-Backbone interact. energy: 0.916
local terms energy: -263.059437
where:
bonds (distance) C4'-P energy: -37.245
bonds (distance) P-C4' energy: -50.909
flat angles C4'-P-C4' energy: -59.190
flat angles P-C4'-P energy: -44.928
tors. eta vs tors. theta energy: -70.787
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: 3
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -779.260012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.260012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.260012 (E_RNA)
where:
Base-Base interactions energy: -526.461
where: short stacking energy: -223.109
Base-Backbone interact. energy: -0.412
local terms energy: -252.387158
where:
bonds (distance) C4'-P energy: -41.705
bonds (distance) P-C4' energy: -51.457
flat angles C4'-P-C4' energy: -58.734
flat angles P-C4'-P energy: -36.660
tors. eta vs tors. theta energy: -63.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -778.922097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.922097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.922097 (E_RNA)
where:
Base-Base interactions energy: -535.112
where: short stacking energy: -222.321
Base-Backbone interact. energy: -1.235
local terms energy: -242.574829
where:
bonds (distance) C4'-P energy: -55.039
bonds (distance) P-C4' energy: -42.490
flat angles C4'-P-C4' energy: -46.799
flat angles P-C4'-P energy: -30.805
tors. eta vs tors. theta energy: -67.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -706.492650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.492650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.492650 (E_RNA)
where:
Base-Base interactions energy: -494.726
where: short stacking energy: -199.285
Base-Backbone interact. energy: 1.612
local terms energy: -213.378482
where:
bonds (distance) C4'-P energy: -39.186
bonds (distance) P-C4' energy: -35.136
flat angles C4'-P-C4' energy: -50.068
flat angles P-C4'-P energy: -35.538
tors. eta vs tors. theta energy: -53.451
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: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -376.921019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.921019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.921019 (E_RNA)
where:
Base-Base interactions energy: -216.326
where: short stacking energy: -119.760
Base-Backbone interact. energy: 1.591
local terms energy: -162.186395
where:
bonds (distance) C4'-P energy: -45.628
bonds (distance) P-C4' energy: -47.201
flat angles C4'-P-C4' energy: -43.357
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -12.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -221.319505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.319505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.319505 (E_RNA)
where:
Base-Base interactions energy: -73.975
where: short stacking energy: -62.905
Base-Backbone interact. energy: -0.814
local terms energy: -146.531113
where:
bonds (distance) C4'-P energy: -44.293
bonds (distance) P-C4' energy: -48.803
flat angles C4'-P-C4' energy: -39.734
flat angles P-C4'-P energy: -26.041
tors. eta vs tors. theta energy: 12.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -976.695790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.695790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.695790 (E_RNA)
where:
Base-Base interactions energy: -667.080
where: short stacking energy: -281.439
Base-Backbone interact. energy: 0.424
local terms energy: -310.039730
where:
bonds (distance) C4'-P energy: -55.387
bonds (distance) P-C4' energy: -52.962
flat angles C4'-P-C4' energy: -64.123
flat angles P-C4'-P energy: -48.278
tors. eta vs tors. theta energy: -89.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -948.675350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.675350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.675350 (E_RNA)
where:
Base-Base interactions energy: -665.033
where: short stacking energy: -282.999
Base-Backbone interact. energy: 0.028
local terms energy: -283.670345
where:
bonds (distance) C4'-P energy: -46.117
bonds (distance) P-C4' energy: -50.049
flat angles C4'-P-C4' energy: -62.205
flat angles P-C4'-P energy: -37.813
tors. eta vs tors. theta energy: -87.487
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: 3, replica: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -928.905785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.905785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.905785 (E_RNA)
where:
Base-Base interactions energy: -641.076
where: short stacking energy: -277.826
Base-Backbone interact. energy: -1.288
local terms energy: -286.542138
where:
bonds (distance) C4'-P energy: -50.076
bonds (distance) P-C4' energy: -51.817
flat angles C4'-P-C4' energy: -58.307
flat angles P-C4'-P energy: -44.879
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: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -904.663326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.663326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.663326 (E_RNA)
where:
Base-Base interactions energy: -636.896
where: short stacking energy: -270.898
Base-Backbone interact. energy: -2.599
local terms energy: -265.167765
where:
bonds (distance) C4'-P energy: -43.987
bonds (distance) P-C4' energy: -49.947
flat angles C4'-P-C4' energy: -59.272
flat angles P-C4'-P energy: -32.681
tors. eta vs tors. theta energy: -79.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -852.497757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.497757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.497757 (E_RNA)
where:
Base-Base interactions energy: -587.516
where: short stacking energy: -258.383
Base-Backbone interact. energy: 1.160
local terms energy: -266.141095
where:
bonds (distance) C4'-P energy: -42.135
bonds (distance) P-C4' energy: -47.784
flat angles C4'-P-C4' energy: -62.871
flat angles P-C4'-P energy: -39.763
tors. eta vs tors. theta energy: -73.588
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: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -778.403260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.403260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.403260 (E_RNA)
where:
Base-Base interactions energy: -532.057
where: short stacking energy: -227.079
Base-Backbone interact. energy: -0.030
local terms energy: -246.315538
where:
bonds (distance) C4'-P energy: -52.755
bonds (distance) P-C4' energy: -46.275
flat angles C4'-P-C4' energy: -53.834
flat angles P-C4'-P energy: -29.212
tors. eta vs tors. theta energy: -64.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -735.500440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.500440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.500440 (E_RNA)
where:
Base-Base interactions energy: -499.927
where: short stacking energy: -218.238
Base-Backbone interact. energy: -0.196
local terms energy: -235.377445
where:
bonds (distance) C4'-P energy: -37.421
bonds (distance) P-C4' energy: -49.110
flat angles C4'-P-C4' energy: -47.522
flat angles P-C4'-P energy: -34.192
tors. eta vs tors. theta energy: -67.133
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: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -707.731892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.731892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.731892 (E_RNA)
where:
Base-Base interactions energy: -494.003
where: short stacking energy: -203.625
Base-Backbone interact. energy: 3.076
local terms energy: -216.804485
where:
bonds (distance) C4'-P energy: -47.314
bonds (distance) P-C4' energy: -52.318
flat angles C4'-P-C4' energy: -40.625
flat angles P-C4'-P energy: -30.223
tors. eta vs tors. theta energy: -46.324
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: 10
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -356.171538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.171538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.171538 (E_RNA)
where:
Base-Base interactions energy: -192.050
where: short stacking energy: -97.900
Base-Backbone interact. energy: -0.654
local terms energy: -163.466818
where:
bonds (distance) C4'-P energy: -36.985
bonds (distance) P-C4' energy: -41.737
flat angles C4'-P-C4' energy: -49.929
flat angles P-C4'-P energy: -29.665
tors. eta vs tors. theta energy: -5.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -222.513334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.513334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.513334 (E_RNA)
where:
Base-Base interactions energy: -89.116
where: short stacking energy: -51.940
Base-Backbone interact. energy: -0.274
local terms energy: -133.123660
where:
bonds (distance) C4'-P energy: -50.613
bonds (distance) P-C4' energy: -45.889
flat angles C4'-P-C4' energy: -32.559
flat angles P-C4'-P energy: -25.344
tors. eta vs tors. theta energy: 21.282
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: 9
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -976.772428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.772428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.772428 (E_RNA)
where:
Base-Base interactions energy: -677.988
where: short stacking energy: -301.076
Base-Backbone interact. energy: -0.817
local terms energy: -297.967827
where:
bonds (distance) C4'-P energy: -56.333
bonds (distance) P-C4' energy: -48.887
flat angles C4'-P-C4' energy: -57.623
flat angles P-C4'-P energy: -44.820
tors. eta vs tors. theta energy: -90.304
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: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -959.577192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.577192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.577192 (E_RNA)
where:
Base-Base interactions energy: -670.372
where: short stacking energy: -283.370
Base-Backbone interact. energy: 1.618
local terms energy: -290.823240
where:
bonds (distance) C4'-P energy: -54.335
bonds (distance) P-C4' energy: -50.031
flat angles C4'-P-C4' energy: -57.624
flat angles P-C4'-P energy: -42.927
tors. eta vs tors. theta energy: -85.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -919.863175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.863175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.863175 (E_RNA)
where:
Base-Base interactions energy: -634.549
where: short stacking energy: -278.767
Base-Backbone interact. energy: -1.794
local terms energy: -283.520033
where:
bonds (distance) C4'-P energy: -48.608
bonds (distance) P-C4' energy: -57.075
flat angles C4'-P-C4' energy: -54.336
flat angles P-C4'-P energy: -37.650
tors. eta vs tors. theta energy: -85.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -906.692261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.692261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.692261 (E_RNA)
where:
Base-Base interactions energy: -637.898
where: short stacking energy: -279.497
Base-Backbone interact. energy: 0.148
local terms energy: -268.942465
where:
bonds (distance) C4'-P energy: -50.122
bonds (distance) P-C4' energy: -45.862
flat angles C4'-P-C4' energy: -57.029
flat angles P-C4'-P energy: -37.338
tors. eta vs tors. theta energy: -78.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -808.748418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.748418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.748418 (E_RNA)
where:
Base-Base interactions energy: -568.311
where: short stacking energy: -241.037
Base-Backbone interact. energy: -1.032
local terms energy: -239.405272
where:
bonds (distance) C4'-P energy: -40.386
bonds (distance) P-C4' energy: -48.304
flat angles C4'-P-C4' energy: -55.398
flat angles P-C4'-P energy: -26.641
tors. eta vs tors. theta energy: -68.677
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: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -780.694857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.694857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.694857 (E_RNA)
where:
Base-Base interactions energy: -543.558
where: short stacking energy: -238.777
Base-Backbone interact. energy: -0.300
local terms energy: -236.836978
where:
bonds (distance) C4'-P energy: -43.300
bonds (distance) P-C4' energy: -42.935
flat angles C4'-P-C4' energy: -52.280
flat angles P-C4'-P energy: -30.086
tors. eta vs tors. theta energy: -68.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -759.937004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.937004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.937004 (E_RNA)
where:
Base-Base interactions energy: -533.597
where: short stacking energy: -230.252
Base-Backbone interact. energy: -0.521
local terms energy: -225.818682
where:
bonds (distance) C4'-P energy: -41.414
bonds (distance) P-C4' energy: -45.307
flat angles C4'-P-C4' energy: -54.900
flat angles P-C4'-P energy: -25.947
tors. eta vs tors. theta energy: -58.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -738.676711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.676711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.676711 (E_RNA)
where:
Base-Base interactions energy: -502.994
where: short stacking energy: -197.934
Base-Backbone interact. energy: 0.683
local terms energy: -236.365513
where:
bonds (distance) C4'-P energy: -45.213
bonds (distance) P-C4' energy: -49.675
flat angles C4'-P-C4' energy: -55.677
flat angles P-C4'-P energy: -31.917
tors. eta vs tors. theta energy: -53.885
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: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -412.179108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.179108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.179108 (E_RNA)
where:
Base-Base interactions energy: -227.524
where: short stacking energy: -103.553
Base-Backbone interact. energy: -0.881
local terms energy: -183.774245
where:
bonds (distance) C4'-P energy: -38.310
bonds (distance) P-C4' energy: -52.000
flat angles C4'-P-C4' energy: -46.804
flat angles P-C4'-P energy: -30.282
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: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -225.943861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.943861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.943861 (E_RNA)
where:
Base-Base interactions energy: -77.786
where: short stacking energy: -57.857
Base-Backbone interact. energy: 6.266
local terms energy: -154.423453
where:
bonds (distance) C4'-P energy: -46.429
bonds (distance) P-C4' energy: -56.241
flat angles C4'-P-C4' energy: -38.818
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: 4.711
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: 9
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -971.209872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.209872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.209872 (E_RNA)
where:
Base-Base interactions energy: -657.597
where: short stacking energy: -299.093
Base-Backbone interact. energy: 0.480
local terms energy: -314.092678
where:
bonds (distance) C4'-P energy: -56.457
bonds (distance) P-C4' energy: -58.591
flat angles C4'-P-C4' energy: -66.700
flat angles P-C4'-P energy: -39.256
tors. eta vs tors. theta energy: -93.088
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: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -954.273670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.273670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.273670 (E_RNA)
where:
Base-Base interactions energy: -679.396
where: short stacking energy: -295.430
Base-Backbone interact. energy: -1.155
local terms energy: -273.722321
where:
bonds (distance) C4'-P energy: -38.912
bonds (distance) P-C4' energy: -47.877
flat angles C4'-P-C4' energy: -59.901
flat angles P-C4'-P energy: -42.999
tors. eta vs tors. theta energy: -84.033
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: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -927.781482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.781482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.781482 (E_RNA)
where:
Base-Base interactions energy: -651.968
where: short stacking energy: -282.664
Base-Backbone interact. energy: -0.778
local terms energy: -275.035218
where:
bonds (distance) C4'-P energy: -40.643
bonds (distance) P-C4' energy: -59.044
flat angles C4'-P-C4' energy: -59.756
flat angles P-C4'-P energy: -34.854
tors. eta vs tors. theta energy: -80.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -881.316072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.316072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.316072 (E_RNA)
where:
Base-Base interactions energy: -618.965
where: short stacking energy: -264.631
Base-Backbone interact. energy: -1.460
local terms energy: -260.890784
where:
bonds (distance) C4'-P energy: -46.203
bonds (distance) P-C4' energy: -53.865
flat angles C4'-P-C4' energy: -51.992
flat angles P-C4'-P energy: -33.358
tors. eta vs tors. theta energy: -75.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -839.487644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.487644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.487644 (E_RNA)
where:
Base-Base interactions energy: -585.733
where: short stacking energy: -258.666
Base-Backbone interact. energy: 0.522
local terms energy: -254.276124
where:
bonds (distance) C4'-P energy: -39.539
bonds (distance) P-C4' energy: -42.909
flat angles C4'-P-C4' energy: -58.770
flat angles P-C4'-P energy: -37.284
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: 6, replica: 3
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -798.085017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.085017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.085017 (E_RNA)
where:
Base-Base interactions energy: -557.444
where: short stacking energy: -229.648
Base-Backbone interact. energy: 0.677
local terms energy: -241.317708
where:
bonds (distance) C4'-P energy: -31.914
bonds (distance) P-C4' energy: -53.794
flat angles C4'-P-C4' energy: -41.357
flat angles P-C4'-P energy: -46.138
tors. eta vs tors. theta energy: -68.115
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: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -787.742260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.742260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.742260 (E_RNA)
where:
Base-Base interactions energy: -538.844
where: short stacking energy: -231.258
Base-Backbone interact. energy: 1.165
local terms energy: -250.063064
where:
bonds (distance) C4'-P energy: -46.605
bonds (distance) P-C4' energy: -47.501
flat angles C4'-P-C4' energy: -53.356
flat angles P-C4'-P energy: -34.873
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: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -719.530196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.530196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.530196 (E_RNA)
where:
Base-Base interactions energy: -493.528
where: short stacking energy: -200.467
Base-Backbone interact. energy: -1.985
local terms energy: -224.017232
where:
bonds (distance) C4'-P energy: -41.125
bonds (distance) P-C4' energy: -43.120
flat angles C4'-P-C4' energy: -46.851
flat angles P-C4'-P energy: -32.419
tors. eta vs tors. theta energy: -60.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -415.711783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.711783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.711783 (E_RNA)
where:
Base-Base interactions energy: -232.350
where: short stacking energy: -98.384
Base-Backbone interact. energy: -0.916
local terms energy: -182.445122
where:
bonds (distance) C4'-P energy: -38.840
bonds (distance) P-C4' energy: -52.960
flat angles C4'-P-C4' energy: -46.062
flat angles P-C4'-P energy: -29.964
tors. eta vs tors. theta energy: -14.618
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: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -236.940162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.940162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.940162 (E_RNA)
where:
Base-Base interactions energy: -75.936
where: short stacking energy: -71.418
Base-Backbone interact. energy: -2.579
local terms energy: -158.425052
where:
bonds (distance) C4'-P energy: -41.104
bonds (distance) P-C4' energy: -49.630
flat angles C4'-P-C4' energy: -33.833
flat angles P-C4'-P energy: -27.848
tors. eta vs tors. theta energy: -6.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -976.410386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.410386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.410386 (E_RNA)
where:
Base-Base interactions energy: -673.591
where: short stacking energy: -296.829
Base-Backbone interact. energy: -1.840
local terms energy: -300.979962
where:
bonds (distance) C4'-P energy: -49.831
bonds (distance) P-C4' energy: -55.288
flat angles C4'-P-C4' energy: -64.776
flat angles P-C4'-P energy: -38.580
tors. eta vs tors. theta energy: -92.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -954.101907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.101907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.101907 (E_RNA)
where:
Base-Base interactions energy: -665.620
where: short stacking energy: -288.229
Base-Backbone interact. energy: -1.183
local terms energy: -287.298665
where:
bonds (distance) C4'-P energy: -46.646
bonds (distance) P-C4' energy: -49.073
flat angles C4'-P-C4' energy: -61.335
flat angles P-C4'-P energy: -44.160
tors. eta vs tors. theta energy: -86.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -937.651343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.651343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.651343 (E_RNA)
where:
Base-Base interactions energy: -660.307
where: short stacking energy: -283.397
Base-Backbone interact. energy: -1.770
local terms energy: -275.574963
where:
bonds (distance) C4'-P energy: -50.430
bonds (distance) P-C4' energy: -41.594
flat angles C4'-P-C4' energy: -56.519
flat angles P-C4'-P energy: -40.452
tors. eta vs tors. theta energy: -86.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -852.139572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.139572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.139572 (E_RNA)
where:
Base-Base interactions energy: -595.699
where: short stacking energy: -242.935
Base-Backbone interact. energy: 3.685
local terms energy: -260.125336
where:
bonds (distance) C4'-P energy: -48.973
bonds (distance) P-C4' energy: -46.664
flat angles C4'-P-C4' energy: -53.355
flat angles P-C4'-P energy: -38.793
tors. eta vs tors. theta energy: -72.340
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: 453
Temperature: 1.100000
Total energy: -853.933658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.933658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.933658 (E_RNA)
where:
Base-Base interactions energy: -587.901
where: short stacking energy: -251.621
Base-Backbone interact. energy: 0.986
local terms energy: -267.018631
where:
bonds (distance) C4'-P energy: -53.243
bonds (distance) P-C4' energy: -47.303
flat angles C4'-P-C4' energy: -51.207
flat angles P-C4'-P energy: -36.379
tors. eta vs tors. theta energy: -78.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -774.130607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.130607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.130607 (E_RNA)
where:
Base-Base interactions energy: -539.833
where: short stacking energy: -237.961
Base-Backbone interact. energy: -0.501
local terms energy: -233.796536
where:
bonds (distance) C4'-P energy: -36.725
bonds (distance) P-C4' energy: -55.525
flat angles C4'-P-C4' energy: -47.968
flat angles P-C4'-P energy: -29.063
tors. eta vs tors. theta energy: -64.515
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: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -803.428428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.428428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.428428 (E_RNA)
where:
Base-Base interactions energy: -565.418
where: short stacking energy: -232.604
Base-Backbone interact. energy: 0.524
local terms energy: -238.534812
where:
bonds (distance) C4'-P energy: -50.180
bonds (distance) P-C4' energy: -45.445
flat angles C4'-P-C4' energy: -39.155
flat angles P-C4'-P energy: -39.659
tors. eta vs tors. theta energy: -64.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -716.482505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.482505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.482505 (E_RNA)
where:
Base-Base interactions energy: -474.670
where: short stacking energy: -191.969
Base-Backbone interact. energy: -0.413
local terms energy: -241.399272
where:
bonds (distance) C4'-P energy: -52.848
bonds (distance) P-C4' energy: -50.320
flat angles C4'-P-C4' energy: -48.675
flat angles P-C4'-P energy: -37.318
tors. eta vs tors. theta energy: -52.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -437.487433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.487433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.487433 (E_RNA)
where:
Base-Base interactions energy: -248.074
where: short stacking energy: -113.072
Base-Backbone interact. energy: 0.020
local terms energy: -189.433430
where:
bonds (distance) C4'-P energy: -50.767
bonds (distance) P-C4' energy: -52.358
flat angles C4'-P-C4' energy: -45.442
flat angles P-C4'-P energy: -26.112
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -222.074869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.074869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.074869 (E_RNA)
where:
Base-Base interactions energy: -78.379
where: short stacking energy: -60.938
Base-Backbone interact. energy: 2.013
local terms energy: -145.708721
where:
bonds (distance) C4'-P energy: -47.831
bonds (distance) P-C4' energy: -42.041
flat angles C4'-P-C4' energy: -35.323
flat angles P-C4'-P energy: -21.178
tors. eta vs tors. theta energy: 0.664
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: 1, replica: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -966.912818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.912818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.912818 (E_RNA)
where:
Base-Base interactions energy: -670.690
where: short stacking energy: -291.064
Base-Backbone interact. energy: -0.497
local terms energy: -295.725740
where:
bonds (distance) C4'-P energy: -55.445
bonds (distance) P-C4' energy: -52.423
flat angles C4'-P-C4' energy: -66.157
flat angles P-C4'-P energy: -36.737
tors. eta vs tors. theta energy: -84.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -961.924029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.924029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.924029 (E_RNA)
where:
Base-Base interactions energy: -663.462
where: short stacking energy: -284.441
Base-Backbone interact. energy: -0.563
local terms energy: -297.899182
where:
bonds (distance) C4'-P energy: -46.259
bonds (distance) P-C4' energy: -58.885
flat angles C4'-P-C4' energy: -59.780
flat angles P-C4'-P energy: -42.341
tors. eta vs tors. theta energy: -90.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -935.843282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.843282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.843282 (E_RNA)
where:
Base-Base interactions energy: -655.013
where: short stacking energy: -291.041
Base-Backbone interact. energy: 0.065
local terms energy: -280.895222
where:
bonds (distance) C4'-P energy: -44.704
bonds (distance) P-C4' energy: -48.269
flat angles C4'-P-C4' energy: -63.924
flat angles P-C4'-P energy: -35.533
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: 4, replica: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -873.891034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.891034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.891034 (E_RNA)
where:
Base-Base interactions energy: -595.089
where: short stacking energy: -270.554
Base-Backbone interact. energy: 3.124
local terms energy: -281.926279
where:
bonds (distance) C4'-P energy: -47.695
bonds (distance) P-C4' energy: -45.801
flat angles C4'-P-C4' energy: -59.282
flat angles P-C4'-P energy: -45.822
tors. eta vs tors. theta energy: -83.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -847.481958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.481958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.481958 (E_RNA)
where:
Base-Base interactions energy: -586.369
where: short stacking energy: -262.830
Base-Backbone interact. energy: -0.441
local terms energy: -260.671422
where:
bonds (distance) C4'-P energy: -38.902
bonds (distance) P-C4' energy: -51.508
flat angles C4'-P-C4' energy: -61.932
flat angles P-C4'-P energy: -32.908
tors. eta vs tors. theta energy: -75.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -778.146380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.146380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.146380 (E_RNA)
where:
Base-Base interactions energy: -527.900
where: short stacking energy: -227.587
Base-Backbone interact. energy: -1.907
local terms energy: -248.339744
where:
bonds (distance) C4'-P energy: -52.198
bonds (distance) P-C4' energy: -51.686
flat angles C4'-P-C4' energy: -56.942
flat angles P-C4'-P energy: -29.535
tors. eta vs tors. theta energy: -57.978
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: 1
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -702.357956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.357956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.357956 (E_RNA)
where:
Base-Base interactions energy: -474.866
where: short stacking energy: -210.423
Base-Backbone interact. energy: 0.440
local terms energy: -227.931637
where:
bonds (distance) C4'-P energy: -39.327
bonds (distance) P-C4' energy: -44.129
flat angles C4'-P-C4' energy: -58.576
flat angles P-C4'-P energy: -32.848
tors. eta vs tors. theta energy: -53.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -751.230103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.230103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.230103 (E_RNA)
where:
Base-Base interactions energy: -522.468
where: short stacking energy: -223.828
Base-Backbone interact. energy: 0.231
local terms energy: -228.992970
where:
bonds (distance) C4'-P energy: -41.544
bonds (distance) P-C4' energy: -38.666
flat angles C4'-P-C4' energy: -47.548
flat angles P-C4'-P energy: -40.726
tors. eta vs tors. theta energy: -60.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -474.554807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.554807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.554807 (E_RNA)
where:
Base-Base interactions energy: -285.997
where: short stacking energy: -139.833
Base-Backbone interact. energy: -0.929
local terms energy: -187.629176
where:
bonds (distance) C4'-P energy: -43.734
bonds (distance) P-C4' energy: -48.958
flat angles C4'-P-C4' energy: -43.376
flat angles P-C4'-P energy: -29.528
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -231.662425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.662425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.662425 (E_RNA)
where:
Base-Base interactions energy: -72.050
where: short stacking energy: -62.169
Base-Backbone interact. energy: -0.656
local terms energy: -158.956155
where:
bonds (distance) C4'-P energy: -54.061
bonds (distance) P-C4' energy: -40.580
flat angles C4'-P-C4' energy: -38.438
flat angles P-C4'-P energy: -33.434
tors. eta vs tors. theta energy: 7.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -973.857084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.857084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.857084 (E_RNA)
where:
Base-Base interactions energy: -676.984
where: short stacking energy: -299.773
Base-Backbone interact. energy: -1.354
local terms energy: -295.519078
where:
bonds (distance) C4'-P energy: -55.194
bonds (distance) P-C4' energy: -47.807
flat angles C4'-P-C4' energy: -66.492
flat angles P-C4'-P energy: -44.558
tors. eta vs tors. theta energy: -81.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -964.262695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.262695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.262695 (E_RNA)
where:
Base-Base interactions energy: -667.852
where: short stacking energy: -295.992
Base-Backbone interact. energy: -0.117
local terms energy: -296.294282
where:
bonds (distance) C4'-P energy: -48.743
bonds (distance) P-C4' energy: -45.143
flat angles C4'-P-C4' energy: -66.769
flat angles P-C4'-P energy: -48.086
tors. eta vs tors. theta energy: -87.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -934.117855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.117855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.117855 (E_RNA)
where:
Base-Base interactions energy: -664.405
where: short stacking energy: -277.815
Base-Backbone interact. energy: -1.712
local terms energy: -268.000027
where:
bonds (distance) C4'-P energy: -44.512
bonds (distance) P-C4' energy: -44.225
flat angles C4'-P-C4' energy: -60.774
flat angles P-C4'-P energy: -37.894
tors. eta vs tors. theta energy: -80.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -869.135602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.135602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.135602 (E_RNA)
where:
Base-Base interactions energy: -604.232
where: short stacking energy: -255.394
Base-Backbone interact. energy: -0.658
local terms energy: -264.245369
where:
bonds (distance) C4'-P energy: -46.336
bonds (distance) P-C4' energy: -52.948
flat angles C4'-P-C4' energy: -59.185
flat angles P-C4'-P energy: -33.652
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: 5, replica: 2
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -828.518900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.518900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.518900 (E_RNA)
where:
Base-Base interactions energy: -567.705
where: short stacking energy: -235.040
Base-Backbone interact. energy: 1.142
local terms energy: -261.955982
where:
bonds (distance) C4'-P energy: -42.872
bonds (distance) P-C4' energy: -53.732
flat angles C4'-P-C4' energy: -60.490
flat angles P-C4'-P energy: -32.760
tors. eta vs tors. theta energy: -72.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -784.965580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.965580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.965580 (E_RNA)
where:
Base-Base interactions energy: -542.537
where: short stacking energy: -244.388
Base-Backbone interact. energy: -0.893
local terms energy: -241.536157
where:
bonds (distance) C4'-P energy: -40.765
bonds (distance) P-C4' energy: -37.380
flat angles C4'-P-C4' energy: -58.502
flat angles P-C4'-P energy: -34.000
tors. eta vs tors. theta energy: -70.890
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: 1
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -738.561712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.561712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.561712 (E_RNA)
where:
Base-Base interactions energy: -512.687
where: short stacking energy: -213.390
Base-Backbone interact. energy: -0.828
local terms energy: -225.046452
where:
bonds (distance) C4'-P energy: -44.896
bonds (distance) P-C4' energy: -51.378
flat angles C4'-P-C4' energy: -44.064
flat angles P-C4'-P energy: -31.949
tors. eta vs tors. theta energy: -52.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -783.663672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.663672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.663672 (E_RNA)
where:
Base-Base interactions energy: -545.112
where: short stacking energy: -246.095
Base-Backbone interact. energy: 1.578
local terms energy: -240.129996
where:
bonds (distance) C4'-P energy: -52.164
bonds (distance) P-C4' energy: -35.208
flat angles C4'-P-C4' energy: -56.823
flat angles P-C4'-P energy: -26.090
tors. eta vs tors. theta energy: -69.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -425.144980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.144980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.144980 (E_RNA)
where:
Base-Base interactions energy: -241.658
where: short stacking energy: -113.954
Base-Backbone interact. energy: 4.120
local terms energy: -187.606757
where:
bonds (distance) C4'-P energy: -50.055
bonds (distance) P-C4' energy: -44.739
flat angles C4'-P-C4' energy: -44.979
flat angles P-C4'-P energy: -32.416
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -241.837123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.837123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.837123 (E_RNA)
where:
Base-Base interactions energy: -94.234
where: short stacking energy: -84.922
Base-Backbone interact. energy: -0.158
local terms energy: -147.444972
where:
bonds (distance) C4'-P energy: -24.944
bonds (distance) P-C4' energy: -54.339
flat angles C4'-P-C4' energy: -43.186
flat angles P-C4'-P energy: -25.091
tors. eta vs tors. theta energy: 0.114
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: 456
Temperature: 0.900000
Total energy: -977.376522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.376522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.376522 (E_RNA)
where:
Base-Base interactions energy: -686.502
where: short stacking energy: -308.551
Base-Backbone interact. energy: -2.511
local terms energy: -288.363072
where:
bonds (distance) C4'-P energy: -44.476
bonds (distance) P-C4' energy: -52.232
flat angles C4'-P-C4' energy: -57.623
flat angles P-C4'-P energy: -43.488
tors. eta vs tors. theta energy: -90.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -951.952510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.952510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.952510 (E_RNA)
where:
Base-Base interactions energy: -647.944
where: short stacking energy: -293.794
Base-Backbone interact. energy: -0.881
local terms energy: -303.127091
where:
bonds (distance) C4'-P energy: -58.462
bonds (distance) P-C4' energy: -56.210
flat angles C4'-P-C4' energy: -59.832
flat angles P-C4'-P energy: -40.038
tors. eta vs tors. theta energy: -88.585
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: 3, replica: 4
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -915.737456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.737456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.737456 (E_RNA)
where:
Base-Base interactions energy: -651.510
where: short stacking energy: -279.173
Base-Backbone interact. energy: -0.647
local terms energy: -263.580466
where:
bonds (distance) C4'-P energy: -44.959
bonds (distance) P-C4' energy: -53.538
flat angles C4'-P-C4' energy: -54.250
flat angles P-C4'-P energy: -32.638
tors. eta vs tors. theta energy: -78.195
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: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -878.085270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.085270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.085270 (E_RNA)
where:
Base-Base interactions energy: -600.457
where: short stacking energy: -246.531
Base-Backbone interact. energy: -0.519
local terms energy: -277.109294
where:
bonds (distance) C4'-P energy: -45.990
bonds (distance) P-C4' energy: -50.137
flat angles C4'-P-C4' energy: -65.664
flat angles P-C4'-P energy: -34.086
tors. eta vs tors. theta energy: -81.233
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: 2
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -834.877572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.877572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.877572 (E_RNA)
where:
Base-Base interactions energy: -572.742
where: short stacking energy: -256.083
Base-Backbone interact. energy: -0.246
local terms energy: -261.889749
where:
bonds (distance) C4'-P energy: -46.378
bonds (distance) P-C4' energy: -45.804
flat angles C4'-P-C4' energy: -52.593
flat angles P-C4'-P energy: -40.210
tors. eta vs tors. theta energy: -76.904
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: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -777.741423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.741423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.741423 (E_RNA)
where:
Base-Base interactions energy: -540.339
where: short stacking energy: -249.329
Base-Backbone interact. energy: -0.725
local terms energy: -236.677151
where:
bonds (distance) C4'-P energy: -38.192
bonds (distance) P-C4' energy: -41.507
flat angles C4'-P-C4' energy: -50.738
flat angles P-C4'-P energy: -32.051
tors. eta vs tors. theta energy: -74.189
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: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -749.887068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.887068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.887068 (E_RNA)
where:
Base-Base interactions energy: -514.019
where: short stacking energy: -220.346
Base-Backbone interact. energy: -0.073
local terms energy: -235.795149
where:
bonds (distance) C4'-P energy: -40.554
bonds (distance) P-C4' energy: -46.108
flat angles C4'-P-C4' energy: -60.359
flat angles P-C4'-P energy: -31.644
tors. eta vs tors. theta energy: -57.130
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: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -741.587857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.587857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.587857 (E_RNA)
where:
Base-Base interactions energy: -524.456
where: short stacking energy: -219.883
Base-Backbone interact. energy: 0.474
local terms energy: -217.605517
where:
bonds (distance) C4'-P energy: -46.233
bonds (distance) P-C4' energy: -49.521
flat angles C4'-P-C4' energy: -47.014
flat angles P-C4'-P energy: -25.255
tors. eta vs tors. theta energy: -49.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -418.832815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.832815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.832815 (E_RNA)
where:
Base-Base interactions energy: -251.405
where: short stacking energy: -123.827
Base-Backbone interact. energy: 0.276
local terms energy: -167.703505
where:
bonds (distance) C4'-P energy: -39.067
bonds (distance) P-C4' energy: -39.275
flat angles C4'-P-C4' energy: -52.314
flat angles P-C4'-P energy: -23.269
tors. eta vs tors. theta energy: -13.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -222.097094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.097094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.097094 (E_RNA)
where:
Base-Base interactions energy: -73.210
where: short stacking energy: -56.611
Base-Backbone interact. energy: 1.614
local terms energy: -150.501366
where:
bonds (distance) C4'-P energy: -37.825
bonds (distance) P-C4' energy: -48.926
flat angles C4'-P-C4' energy: -44.379
flat angles P-C4'-P energy: -22.554
tors. eta vs tors. theta energy: 3.182
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: 9
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -977.337305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.337305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.337305 (E_RNA)
where:
Base-Base interactions energy: -682.298
where: short stacking energy: -300.430
Base-Backbone interact. energy: -0.585
local terms energy: -294.454951
where:
bonds (distance) C4'-P energy: -48.937
bonds (distance) P-C4' energy: -58.894
flat angles C4'-P-C4' energy: -61.410
flat angles P-C4'-P energy: -36.665
tors. eta vs tors. theta energy: -88.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -970.166491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.166491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.166491 (E_RNA)
where:
Base-Base interactions energy: -674.483
where: short stacking energy: -298.015
Base-Backbone interact. energy: -0.928
local terms energy: -294.756335
where:
bonds (distance) C4'-P energy: -43.591
bonds (distance) P-C4' energy: -47.528
flat angles C4'-P-C4' energy: -66.785
flat angles P-C4'-P energy: -49.355
tors. eta vs tors. theta energy: -87.497
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: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -944.959553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.959553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.959553 (E_RNA)
where:
Base-Base interactions energy: -665.201
where: short stacking energy: -292.275
Base-Backbone interact. energy: -0.890
local terms energy: -278.868278
where:
bonds (distance) C4'-P energy: -48.938
bonds (distance) P-C4' energy: -49.287
flat angles C4'-P-C4' energy: -56.977
flat angles P-C4'-P energy: -41.361
tors. eta vs tors. theta energy: -82.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -848.230701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.230701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.230701 (E_RNA)
where:
Base-Base interactions energy: -570.756
where: short stacking energy: -247.895
Base-Backbone interact. energy: -0.782
local terms energy: -276.693215
where:
bonds (distance) C4'-P energy: -45.986
bonds (distance) P-C4' energy: -56.724
flat angles C4'-P-C4' energy: -53.484
flat angles P-C4'-P energy: -44.808
tors. eta vs tors. theta energy: -75.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -857.784225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.784225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.784225 (E_RNA)
where:
Base-Base interactions energy: -599.863
where: short stacking energy: -253.881
Base-Backbone interact. energy: -0.338
local terms energy: -257.583759
where:
bonds (distance) C4'-P energy: -54.886
bonds (distance) P-C4' energy: -40.784
flat angles C4'-P-C4' energy: -57.562
flat angles P-C4'-P energy: -33.729
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: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -754.638116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.638116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.638116 (E_RNA)
where:
Base-Base interactions energy: -513.300
where: short stacking energy: -230.133
Base-Backbone interact. energy: -1.286
local terms energy: -240.051984
where:
bonds (distance) C4'-P energy: -49.124
bonds (distance) P-C4' energy: -40.606
flat angles C4'-P-C4' energy: -44.239
flat angles P-C4'-P energy: -41.479
tors. eta vs tors. theta energy: -64.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -739.057637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.057637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.057637 (E_RNA)
where:
Base-Base interactions energy: -517.149
where: short stacking energy: -215.403
Base-Backbone interact. energy: -1.329
local terms energy: -220.579284
where:
bonds (distance) C4'-P energy: -45.804
bonds (distance) P-C4' energy: -40.854
flat angles C4'-P-C4' energy: -49.520
flat angles P-C4'-P energy: -27.801
tors. eta vs tors. theta energy: -56.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -748.276319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.276319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.276319 (E_RNA)
where:
Base-Base interactions energy: -504.595
where: short stacking energy: -209.219
Base-Backbone interact. energy: -0.294
local terms energy: -243.387872
where:
bonds (distance) C4'-P energy: -47.552
bonds (distance) P-C4' energy: -45.606
flat angles C4'-P-C4' energy: -43.104
flat angles P-C4'-P energy: -39.638
tors. eta vs tors. theta energy: -67.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -439.239900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.239900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.239900 (E_RNA)
where:
Base-Base interactions energy: -265.437
where: short stacking energy: -125.877
Base-Backbone interact. energy: -0.197
local terms energy: -173.605631
where:
bonds (distance) C4'-P energy: -39.998
bonds (distance) P-C4' energy: -45.109
flat angles C4'-P-C4' energy: -36.143
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -38.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -225.380301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.380301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.380301 (E_RNA)
where:
Base-Base interactions energy: -73.690
where: short stacking energy: -54.495
Base-Backbone interact. energy: 0.290
local terms energy: -151.980494
where:
bonds (distance) C4'-P energy: -50.687
bonds (distance) P-C4' energy: -45.265
flat angles C4'-P-C4' energy: -36.333
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -962.312458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.312458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.312458 (E_RNA)
where:
Base-Base interactions energy: -658.482
where: short stacking energy: -291.727
Base-Backbone interact. energy: -0.662
local terms energy: -303.168407
where:
bonds (distance) C4'-P energy: -59.036
bonds (distance) P-C4' energy: -56.359
flat angles C4'-P-C4' energy: -59.704
flat angles P-C4'-P energy: -43.718
tors. eta vs tors. theta energy: -84.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -931.422917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.422917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.422917 (E_RNA)
where:
Base-Base interactions energy: -642.275
where: short stacking energy: -286.528
Base-Backbone interact. energy: -0.855
local terms energy: -288.292803
where:
bonds (distance) C4'-P energy: -43.346
bonds (distance) P-C4' energy: -56.713
flat angles C4'-P-C4' energy: -59.196
flat angles P-C4'-P energy: -43.909
tors. eta vs tors. theta energy: -85.129
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: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -950.355039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.355039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.355039 (E_RNA)
where:
Base-Base interactions energy: -658.956
where: short stacking energy: -285.430
Base-Backbone interact. energy: -1.032
local terms energy: -290.367481
where:
bonds (distance) C4'-P energy: -52.090
bonds (distance) P-C4' energy: -50.045
flat angles C4'-P-C4' energy: -59.778
flat angles P-C4'-P energy: -42.142
tors. eta vs tors. theta energy: -86.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -858.464817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.464817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.464817 (E_RNA)
where:
Base-Base interactions energy: -610.966
where: short stacking energy: -256.994
Base-Backbone interact. energy: -0.794
local terms energy: -246.704189
where:
bonds (distance) C4'-P energy: -41.668
bonds (distance) P-C4' energy: -40.516
flat angles C4'-P-C4' energy: -52.717
flat angles P-C4'-P energy: -31.677
tors. eta vs tors. theta energy: -80.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -849.584549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.584549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.584549 (E_RNA)
where:
Base-Base interactions energy: -577.271
where: short stacking energy: -253.729
Base-Backbone interact. energy: -0.164
local terms energy: -272.149458
where:
bonds (distance) C4'-P energy: -54.092
bonds (distance) P-C4' energy: -45.481
flat angles C4'-P-C4' energy: -60.560
flat angles P-C4'-P energy: -37.030
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: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -790.187084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.187084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.187084 (E_RNA)
where:
Base-Base interactions energy: -536.770
where: short stacking energy: -242.678
Base-Backbone interact. energy: -1.793
local terms energy: -251.623395
where:
bonds (distance) C4'-P energy: -47.760
bonds (distance) P-C4' energy: -48.345
flat angles C4'-P-C4' energy: -53.814
flat angles P-C4'-P energy: -40.198
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: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -759.387811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.387811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.387811 (E_RNA)
where:
Base-Base interactions energy: -536.267
where: short stacking energy: -221.894
Base-Backbone interact. energy: 1.060
local terms energy: -224.181165
where:
bonds (distance) C4'-P energy: -42.545
bonds (distance) P-C4' energy: -44.732
flat angles C4'-P-C4' energy: -49.258
flat angles P-C4'-P energy: -31.085
tors. eta vs tors. theta energy: -56.561
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: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -739.821895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.821895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.821895 (E_RNA)
where:
Base-Base interactions energy: -506.082
where: short stacking energy: -206.600
Base-Backbone interact. energy: 0.033
local terms energy: -233.772470
where:
bonds (distance) C4'-P energy: -48.919
bonds (distance) P-C4' energy: -41.929
flat angles C4'-P-C4' energy: -52.067
flat angles P-C4'-P energy: -35.159
tors. eta vs tors. theta energy: -55.698
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: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -427.417025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.417025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.417025 (E_RNA)
where:
Base-Base interactions energy: -253.749
where: short stacking energy: -139.986
Base-Backbone interact. energy: 3.104
local terms energy: -176.772008
where:
bonds (distance) C4'-P energy: -45.722
bonds (distance) P-C4' energy: -46.190
flat angles C4'-P-C4' energy: -26.936
flat angles P-C4'-P energy: -30.112
tors. eta vs tors. theta energy: -27.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -220.778983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.778983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.778983 (E_RNA)
where:
Base-Base interactions energy: -84.082
where: short stacking energy: -54.113
Base-Backbone interact. energy: 1.080
local terms energy: -137.777331
where:
bonds (distance) C4'-P energy: -59.573
bonds (distance) P-C4' energy: -51.779
flat angles C4'-P-C4' energy: -26.461
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: 13.661
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: 9
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -976.095470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.095470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.095470 (E_RNA)
where:
Base-Base interactions energy: -675.720
where: short stacking energy: -299.780
Base-Backbone interact. energy: -0.897
local terms energy: -299.478504
where:
bonds (distance) C4'-P energy: -48.814
bonds (distance) P-C4' energy: -54.335
flat angles C4'-P-C4' energy: -59.558
flat angles P-C4'-P energy: -44.971
tors. eta vs tors. theta energy: -91.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -943.122936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.122936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.122936 (E_RNA)
where:
Base-Base interactions energy: -652.584
where: short stacking energy: -272.830
Base-Backbone interact. energy: -0.732
local terms energy: -289.807440
where:
bonds (distance) C4'-P energy: -51.087
bonds (distance) P-C4' energy: -54.759
flat angles C4'-P-C4' energy: -55.383
flat angles P-C4'-P energy: -48.013
tors. eta vs tors. theta energy: -80.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -928.375992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.375992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.375992 (E_RNA)
where:
Base-Base interactions energy: -641.022
where: short stacking energy: -280.474
Base-Backbone interact. energy: -0.744
local terms energy: -286.610367
where:
bonds (distance) C4'-P energy: -40.501
bonds (distance) P-C4' energy: -58.316
flat angles C4'-P-C4' energy: -58.586
flat angles P-C4'-P energy: -41.838
tors. eta vs tors. theta energy: -87.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -851.008547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.008547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.008547 (E_RNA)
where:
Base-Base interactions energy: -612.017
where: short stacking energy: -271.503
Base-Backbone interact. energy: 0.139
local terms energy: -239.129923
where:
bonds (distance) C4'-P energy: -42.463
bonds (distance) P-C4' energy: -40.955
flat angles C4'-P-C4' energy: -50.981
flat angles P-C4'-P energy: -30.507
tors. eta vs tors. theta energy: -74.224
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: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -838.819824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.819824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.819824 (E_RNA)
where:
Base-Base interactions energy: -590.893
where: short stacking energy: -258.746
Base-Backbone interact. energy: -0.007
local terms energy: -247.919531
where:
bonds (distance) C4'-P energy: -40.192
bonds (distance) P-C4' energy: -38.186
flat angles C4'-P-C4' energy: -57.721
flat angles P-C4'-P energy: -42.072
tors. eta vs tors. theta energy: -69.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -777.464052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.464052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.464052 (E_RNA)
where:
Base-Base interactions energy: -528.218
where: short stacking energy: -213.922
Base-Backbone interact. energy: 1.405
local terms energy: -250.651000
where:
bonds (distance) C4'-P energy: -49.226
bonds (distance) P-C4' energy: -47.914
flat angles C4'-P-C4' energy: -49.464
flat angles P-C4'-P energy: -43.218
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: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -764.803396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.803396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.803396 (E_RNA)
where:
Base-Base interactions energy: -531.362
where: short stacking energy: -232.633
Base-Backbone interact. energy: 0.807
local terms energy: -234.248362
where:
bonds (distance) C4'-P energy: -43.274
bonds (distance) P-C4' energy: -38.070
flat angles C4'-P-C4' energy: -54.296
flat angles P-C4'-P energy: -31.755
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: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -710.175575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.175575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.175575 (E_RNA)
where:
Base-Base interactions energy: -484.840
where: short stacking energy: -194.937
Base-Backbone interact. energy: -1.399
local terms energy: -223.936585
where:
bonds (distance) C4'-P energy: -48.462
bonds (distance) P-C4' energy: -49.335
flat angles C4'-P-C4' energy: -47.695
flat angles P-C4'-P energy: -27.163
tors. eta vs tors. theta energy: -51.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -427.914770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.914770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.914770 (E_RNA)
where:
Base-Base interactions energy: -249.119
where: short stacking energy: -119.634
Base-Backbone interact. energy: -0.425
local terms energy: -178.370588
where:
bonds (distance) C4'-P energy: -46.111
bonds (distance) P-C4' energy: -45.945
flat angles C4'-P-C4' energy: -43.870
flat angles P-C4'-P energy: -22.664
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -247.644615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.644615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.644615 (E_RNA)
where:
Base-Base interactions energy: -103.437
where: short stacking energy: -57.795
Base-Backbone interact. energy: -0.226
local terms energy: -143.981861
where:
bonds (distance) C4'-P energy: -39.338
bonds (distance) P-C4' energy: -49.160
flat angles C4'-P-C4' energy: -42.495
flat angles P-C4'-P energy: -17.036
tors. eta vs tors. theta energy: 4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -972.393133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.393133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.393133 (E_RNA)
where:
Base-Base interactions energy: -672.920
where: short stacking energy: -290.023
Base-Backbone interact. energy: -1.548
local terms energy: -297.925501
where:
bonds (distance) C4'-P energy: -56.928
bonds (distance) P-C4' energy: -55.369
flat angles C4'-P-C4' energy: -58.314
flat angles P-C4'-P energy: -41.219
tors. eta vs tors. theta energy: -86.096
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: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -953.476854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.476854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.476854 (E_RNA)
where:
Base-Base interactions energy: -664.626
where: short stacking energy: -289.031
Base-Backbone interact. energy: -0.446
local terms energy: -288.404811
where:
bonds (distance) C4'-P energy: -51.558
bonds (distance) P-C4' energy: -47.396
flat angles C4'-P-C4' energy: -58.024
flat angles P-C4'-P energy: -43.550
tors. eta vs tors. theta energy: -87.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -932.300569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.300569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.300569 (E_RNA)
where:
Base-Base interactions energy: -650.806
where: short stacking energy: -272.551
Base-Backbone interact. energy: 1.409
local terms energy: -282.904049
where:
bonds (distance) C4'-P energy: -47.216
bonds (distance) P-C4' energy: -55.425
flat angles C4'-P-C4' energy: -57.047
flat angles P-C4'-P energy: -41.251
tors. eta vs tors. theta energy: -81.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -879.700400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.700400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.700400 (E_RNA)
where:
Base-Base interactions energy: -589.863
where: short stacking energy: -256.251
Base-Backbone interact. energy: -1.018
local terms energy: -288.819036
where:
bonds (distance) C4'-P energy: -57.186
bonds (distance) P-C4' energy: -59.281
flat angles C4'-P-C4' energy: -58.376
flat angles P-C4'-P energy: -35.878
tors. eta vs tors. theta energy: -78.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -816.194846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.194846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.194846 (E_RNA)
where:
Base-Base interactions energy: -580.896
where: short stacking energy: -243.349
Base-Backbone interact. energy: 1.229
local terms energy: -236.527475
where:
bonds (distance) C4'-P energy: -42.911
bonds (distance) P-C4' energy: -35.469
flat angles C4'-P-C4' energy: -53.226
flat angles P-C4'-P energy: -39.181
tors. eta vs tors. theta energy: -65.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -778.080300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.080300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.080300 (E_RNA)
where:
Base-Base interactions energy: -537.640
where: short stacking energy: -223.385
Base-Backbone interact. energy: -2.180
local terms energy: -238.260277
where:
bonds (distance) C4'-P energy: -46.814
bonds (distance) P-C4' energy: -40.783
flat angles C4'-P-C4' energy: -52.846
flat angles P-C4'-P energy: -29.376
tors. eta vs tors. theta energy: -68.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -800.125745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.125745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.125745 (E_RNA)
where:
Base-Base interactions energy: -564.415
where: short stacking energy: -236.301
Base-Backbone interact. energy: 0.047
local terms energy: -235.757764
where:
bonds (distance) C4'-P energy: -41.573
bonds (distance) P-C4' energy: -43.500
flat angles C4'-P-C4' energy: -48.972
flat angles P-C4'-P energy: -33.984
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: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -732.976341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.976341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.976341 (E_RNA)
where:
Base-Base interactions energy: -511.500
where: short stacking energy: -221.431
Base-Backbone interact. energy: 1.178
local terms energy: -222.654196
where:
bonds (distance) C4'-P energy: -39.907
bonds (distance) P-C4' energy: -44.863
flat angles C4'-P-C4' energy: -41.303
flat angles P-C4'-P energy: -30.857
tors. eta vs tors. theta energy: -65.725
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: 10
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -424.778657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.778657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.778657 (E_RNA)
where:
Base-Base interactions energy: -252.989
where: short stacking energy: -118.596
Base-Backbone interact. energy: 0.128
local terms energy: -171.917777
where:
bonds (distance) C4'-P energy: -43.518
bonds (distance) P-C4' energy: -39.801
flat angles C4'-P-C4' energy: -48.377
flat angles P-C4'-P energy: -24.853
tors. eta vs tors. theta energy: -15.368
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: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -210.888576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.888576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.888576 (E_RNA)
where:
Base-Base interactions energy: -65.002
where: short stacking energy: -55.277
Base-Backbone interact. energy: -2.097
local terms energy: -143.789854
where:
bonds (distance) C4'-P energy: -46.136
bonds (distance) P-C4' energy: -42.080
flat angles C4'-P-C4' energy: -40.661
flat angles P-C4'-P energy: -21.607
tors. eta vs tors. theta energy: 6.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -961.533028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.533028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.533028 (E_RNA)
where:
Base-Base interactions energy: -657.452
where: short stacking energy: -294.378
Base-Backbone interact. energy: -1.441
local terms energy: -302.639798
where:
bonds (distance) C4'-P energy: -58.530
bonds (distance) P-C4' energy: -45.212
flat angles C4'-P-C4' energy: -63.964
flat angles P-C4'-P energy: -42.800
tors. eta vs tors. theta energy: -92.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -947.310235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.310235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.310235 (E_RNA)
where:
Base-Base interactions energy: -661.679
where: short stacking energy: -286.245
Base-Backbone interact. energy: -0.583
local terms energy: -285.047512
where:
bonds (distance) C4'-P energy: -52.144
bonds (distance) P-C4' energy: -53.707
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -37.476
tors. eta vs tors. theta energy: -84.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -924.710402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.710402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.710402 (E_RNA)
where:
Base-Base interactions energy: -648.474
where: short stacking energy: -274.158
Base-Backbone interact. energy: -2.058
local terms energy: -274.178206
where:
bonds (distance) C4'-P energy: -46.424
bonds (distance) P-C4' energy: -52.312
flat angles C4'-P-C4' energy: -58.912
flat angles P-C4'-P energy: -35.141
tors. eta vs tors. theta energy: -81.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -845.907085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.907085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.907085 (E_RNA)
where:
Base-Base interactions energy: -591.615
where: short stacking energy: -252.224
Base-Backbone interact. energy: -0.379
local terms energy: -253.913655
where:
bonds (distance) C4'-P energy: -37.497
bonds (distance) P-C4' energy: -57.206
flat angles C4'-P-C4' energy: -51.017
flat angles P-C4'-P energy: -35.129
tors. eta vs tors. theta energy: -73.065
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: 7
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -853.296173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.296173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.296173 (E_RNA)
where:
Base-Base interactions energy: -594.219
where: short stacking energy: -270.315
Base-Backbone interact. energy: -1.041
local terms energy: -258.035742
where:
bonds (distance) C4'-P energy: -39.964
bonds (distance) P-C4' energy: -54.709
flat angles C4'-P-C4' energy: -54.840
flat angles P-C4'-P energy: -34.706
tors. eta vs tors. theta energy: -73.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -789.956670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.956670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.956670 (E_RNA)
where:
Base-Base interactions energy: -560.266
where: short stacking energy: -244.864
Base-Backbone interact. energy: 1.007
local terms energy: -230.697582
where:
bonds (distance) C4'-P energy: -46.113
bonds (distance) P-C4' energy: -38.308
flat angles C4'-P-C4' energy: -50.652
flat angles P-C4'-P energy: -28.615
tors. eta vs tors. theta energy: -67.010
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: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -762.334902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.334902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.334902 (E_RNA)
where:
Base-Base interactions energy: -513.102
where: short stacking energy: -219.590
Base-Backbone interact. energy: -0.611
local terms energy: -248.621860
where:
bonds (distance) C4'-P energy: -42.048
bonds (distance) P-C4' energy: -51.165
flat angles C4'-P-C4' energy: -61.188
flat angles P-C4'-P energy: -38.519
tors. eta vs tors. theta energy: -55.703
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: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -749.060953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.060953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.060953 (E_RNA)
where:
Base-Base interactions energy: -521.036
where: short stacking energy: -229.361
Base-Backbone interact. energy: 1.560
local terms energy: -229.585213
where:
bonds (distance) C4'-P energy: -37.368
bonds (distance) P-C4' energy: -42.102
flat angles C4'-P-C4' energy: -54.650
flat angles P-C4'-P energy: -31.680
tors. eta vs tors. theta energy: -63.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -426.365028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.365028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.365028 (E_RNA)
where:
Base-Base interactions energy: -267.462
where: short stacking energy: -123.251
Base-Backbone interact. energy: 4.798
local terms energy: -163.701524
where:
bonds (distance) C4'-P energy: -39.713
bonds (distance) P-C4' energy: -51.701
flat angles C4'-P-C4' energy: -30.783
flat angles P-C4'-P energy: -21.588
tors. eta vs tors. theta energy: -19.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -215.256990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.256990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.256990 (E_RNA)
where:
Base-Base interactions energy: -64.553
where: short stacking energy: -58.816
Base-Backbone interact. energy: -1.507
local terms energy: -149.196926
where:
bonds (distance) C4'-P energy: -46.495
bonds (distance) P-C4' energy: -49.577
flat angles C4'-P-C4' energy: -38.757
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: 1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -967.361089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.361089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.361089 (E_RNA)
where:
Base-Base interactions energy: -678.380
where: short stacking energy: -292.475
Base-Backbone interact. energy: -1.008
local terms energy: -287.972931
where:
bonds (distance) C4'-P energy: -47.649
bonds (distance) P-C4' energy: -53.913
flat angles C4'-P-C4' energy: -55.379
flat angles P-C4'-P energy: -44.314
tors. eta vs tors. theta energy: -86.718
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: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -929.504186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.504186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.504186 (E_RNA)
where:
Base-Base interactions energy: -625.979
where: short stacking energy: -272.013
Base-Backbone interact. energy: -1.177
local terms energy: -302.347413
where:
bonds (distance) C4'-P energy: -53.223
bonds (distance) P-C4' energy: -48.831
flat angles C4'-P-C4' energy: -64.642
flat angles P-C4'-P energy: -49.642
tors. eta vs tors. theta energy: -86.009
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: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -934.777487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.777487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.777487 (E_RNA)
where:
Base-Base interactions energy: -648.997
where: short stacking energy: -284.919
Base-Backbone interact. energy: -0.849
local terms energy: -284.931234
where:
bonds (distance) C4'-P energy: -47.371
bonds (distance) P-C4' energy: -63.593
flat angles C4'-P-C4' energy: -57.606
flat angles P-C4'-P energy: -34.528
tors. eta vs tors. theta energy: -81.833
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: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -858.307829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.307829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.307829 (E_RNA)
where:
Base-Base interactions energy: -585.356
where: short stacking energy: -251.388
Base-Backbone interact. energy: -0.162
local terms energy: -272.789478
where:
bonds (distance) C4'-P energy: -45.069
bonds (distance) P-C4' energy: -56.157
flat angles C4'-P-C4' energy: -58.978
flat angles P-C4'-P energy: -35.782
tors. eta vs tors. theta energy: -76.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -799.465156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.465156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.465156 (E_RNA)
where:
Base-Base interactions energy: -552.972
where: short stacking energy: -234.578
Base-Backbone interact. energy: -0.745
local terms energy: -245.747862
where:
bonds (distance) C4'-P energy: -48.623
bonds (distance) P-C4' energy: -50.781
flat angles C4'-P-C4' energy: -43.519
flat angles P-C4'-P energy: -33.635
tors. eta vs tors. theta energy: -69.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -811.463502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.463502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.463502 (E_RNA)
where:
Base-Base interactions energy: -557.996
where: short stacking energy: -235.059
Base-Backbone interact. energy: -0.636
local terms energy: -252.831806
where:
bonds (distance) C4'-P energy: -46.348
bonds (distance) P-C4' energy: -49.922
flat angles C4'-P-C4' energy: -53.279
flat angles P-C4'-P energy: -34.847
tors. eta vs tors. theta energy: -68.437
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: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -738.708300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.708300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.708300 (E_RNA)
where:
Base-Base interactions energy: -511.716
where: short stacking energy: -223.390
Base-Backbone interact. energy: -0.938
local terms energy: -226.054141
where:
bonds (distance) C4'-P energy: -44.157
bonds (distance) P-C4' energy: -43.098
flat angles C4'-P-C4' energy: -48.153
flat angles P-C4'-P energy: -28.424
tors. eta vs tors. theta energy: -62.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -753.508579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.508579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.508579 (E_RNA)
where:
Base-Base interactions energy: -533.520
where: short stacking energy: -221.919
Base-Backbone interact. energy: -0.660
local terms energy: -219.329431
where:
bonds (distance) C4'-P energy: -47.443
bonds (distance) P-C4' energy: -44.012
flat angles C4'-P-C4' energy: -42.813
flat angles P-C4'-P energy: -28.780
tors. eta vs tors. theta energy: -56.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -412.544181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.544181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.544181 (E_RNA)
where:
Base-Base interactions energy: -238.892
where: short stacking energy: -114.966
Base-Backbone interact. energy: -0.345
local terms energy: -173.306699
where:
bonds (distance) C4'-P energy: -37.077
bonds (distance) P-C4' energy: -45.819
flat angles C4'-P-C4' energy: -34.293
flat angles P-C4'-P energy: -29.818
tors. eta vs tors. theta energy: -26.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -215.704130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.704130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.704130 (E_RNA)
where:
Base-Base interactions energy: -97.368
where: short stacking energy: -63.040
Base-Backbone interact. energy: -1.002
local terms energy: -117.334408
where:
bonds (distance) C4'-P energy: -36.095
bonds (distance) P-C4' energy: -37.951
flat angles C4'-P-C4' energy: -36.180
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: 5.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -959.635311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.635311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.635311 (E_RNA)
where:
Base-Base interactions energy: -667.458
where: short stacking energy: -295.256
Base-Backbone interact. energy: -1.881
local terms energy: -290.296348
where:
bonds (distance) C4'-P energy: -57.246
bonds (distance) P-C4' energy: -44.233
flat angles C4'-P-C4' energy: -55.119
flat angles P-C4'-P energy: -41.889
tors. eta vs tors. theta energy: -91.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -940.348194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.348194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.348194 (E_RNA)
where:
Base-Base interactions energy: -654.080
where: short stacking energy: -290.225
Base-Backbone interact. energy: -1.181
local terms energy: -285.087193
where:
bonds (distance) C4'-P energy: -47.144
bonds (distance) P-C4' energy: -50.933
flat angles C4'-P-C4' energy: -61.401
flat angles P-C4'-P energy: -38.420
tors. eta vs tors. theta energy: -87.189
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: 463
Temperature: 1.000000
Total energy: -922.992571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.992571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.992571 (E_RNA)
where:
Base-Base interactions energy: -637.765
where: short stacking energy: -270.947
Base-Backbone interact. energy: -0.981
local terms energy: -284.246492
where:
bonds (distance) C4'-P energy: -46.577
bonds (distance) P-C4' energy: -50.496
flat angles C4'-P-C4' energy: -58.547
flat angles P-C4'-P energy: -45.243
tors. eta vs tors. theta energy: -83.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -865.636435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.636435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.636435 (E_RNA)
where:
Base-Base interactions energy: -600.530
where: short stacking energy: -265.074
Base-Backbone interact. energy: 2.195
local terms energy: -267.301639
where:
bonds (distance) C4'-P energy: -46.615
bonds (distance) P-C4' energy: -53.309
flat angles C4'-P-C4' energy: -50.269
flat angles P-C4'-P energy: -39.059
tors. eta vs tors. theta energy: -78.049
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: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -816.633084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.633084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.633084 (E_RNA)
where:
Base-Base interactions energy: -562.469
where: short stacking energy: -228.336
Base-Backbone interact. energy: 3.206
local terms energy: -257.370674
where:
bonds (distance) C4'-P energy: -43.030
bonds (distance) P-C4' energy: -51.140
flat angles C4'-P-C4' energy: -53.063
flat angles P-C4'-P energy: -43.414
tors. eta vs tors. theta energy: -66.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -766.192331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.192331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.192331 (E_RNA)
where:
Base-Base interactions energy: -533.955
where: short stacking energy: -223.576
Base-Backbone interact. energy: -0.701
local terms energy: -231.536020
where:
bonds (distance) C4'-P energy: -39.826
bonds (distance) P-C4' energy: -45.126
flat angles C4'-P-C4' energy: -52.897
flat angles P-C4'-P energy: -36.674
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: 7
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -793.516323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.516323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.516323 (E_RNA)
where:
Base-Base interactions energy: -545.625
where: short stacking energy: -234.188
Base-Backbone interact. energy: -1.326
local terms energy: -246.564823
where:
bonds (distance) C4'-P energy: -50.251
bonds (distance) P-C4' energy: -49.192
flat angles C4'-P-C4' energy: -43.010
flat angles P-C4'-P energy: -35.833
tors. eta vs tors. theta energy: -68.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -739.786589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.786589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.786589 (E_RNA)
where:
Base-Base interactions energy: -512.763
where: short stacking energy: -225.768
Base-Backbone interact. energy: -0.375
local terms energy: -226.648559
where:
bonds (distance) C4'-P energy: -46.809
bonds (distance) P-C4' energy: -39.626
flat angles C4'-P-C4' energy: -48.976
flat angles P-C4'-P energy: -32.328
tors. eta vs tors. theta energy: -58.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -421.294145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.294145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.294145 (E_RNA)
where:
Base-Base interactions energy: -243.909
where: short stacking energy: -106.068
Base-Backbone interact. energy: 0.108
local terms energy: -177.493566
where:
bonds (distance) C4'-P energy: -48.809
bonds (distance) P-C4' energy: -47.250
flat angles C4'-P-C4' energy: -47.422
flat angles P-C4'-P energy: -27.951
tors. eta vs tors. theta energy: -6.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -210.350695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.350695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.350695 (E_RNA)
where:
Base-Base interactions energy: -70.801
where: short stacking energy: -63.091
Base-Backbone interact. energy: -1.068
local terms energy: -138.482046
where:
bonds (distance) C4'-P energy: -38.890
bonds (distance) P-C4' energy: -42.851
flat angles C4'-P-C4' energy: -35.871
flat angles P-C4'-P energy: -29.237
tors. eta vs tors. theta energy: 8.367
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: 1, replica: 4
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -966.513634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.513634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.513634 (E_RNA)
where:
Base-Base interactions energy: -665.025
where: short stacking energy: -292.885
Base-Backbone interact. energy: -0.858
local terms energy: -300.631419
where:
bonds (distance) C4'-P energy: -44.650
bonds (distance) P-C4' energy: -60.495
flat angles C4'-P-C4' energy: -61.729
flat angles P-C4'-P energy: -44.449
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: 2, replica: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -940.232117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.232117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.232117 (E_RNA)
where:
Base-Base interactions energy: -659.491
where: short stacking energy: -279.782
Base-Backbone interact. energy: -2.072
local terms energy: -278.669199
where:
bonds (distance) C4'-P energy: -49.684
bonds (distance) P-C4' energy: -56.484
flat angles C4'-P-C4' energy: -49.861
flat angles P-C4'-P energy: -36.522
tors. eta vs tors. theta energy: -86.118
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: 3, replica: 9
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -941.383910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.383910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.383910 (E_RNA)
where:
Base-Base interactions energy: -670.118
where: short stacking energy: -291.519
Base-Backbone interact. energy: -1.520
local terms energy: -269.746572
where:
bonds (distance) C4'-P energy: -47.507
bonds (distance) P-C4' energy: -50.241
flat angles C4'-P-C4' energy: -55.233
flat angles P-C4'-P energy: -30.652
tors. eta vs tors. theta energy: -86.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -856.517354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.517354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.517354 (E_RNA)
where:
Base-Base interactions energy: -591.009
where: short stacking energy: -244.442
Base-Backbone interact. energy: 1.220
local terms energy: -266.727404
where:
bonds (distance) C4'-P energy: -54.161
bonds (distance) P-C4' energy: -48.598
flat angles C4'-P-C4' energy: -54.911
flat angles P-C4'-P energy: -35.874
tors. eta vs tors. theta energy: -73.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -833.918403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.918403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.918403 (E_RNA)
where:
Base-Base interactions energy: -578.783
where: short stacking energy: -234.323
Base-Backbone interact. energy: -0.618
local terms energy: -254.517617
where:
bonds (distance) C4'-P energy: -44.845
bonds (distance) P-C4' energy: -48.933
flat angles C4'-P-C4' energy: -57.673
flat angles P-C4'-P energy: -33.536
tors. eta vs tors. theta energy: -69.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -793.374804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.374804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.374804 (E_RNA)
where:
Base-Base interactions energy: -542.211
where: short stacking energy: -229.460
Base-Backbone interact. energy: -1.600
local terms energy: -249.563694
where:
bonds (distance) C4'-P energy: -50.404
bonds (distance) P-C4' energy: -45.485
flat angles C4'-P-C4' energy: -54.102
flat angles P-C4'-P energy: -34.375
tors. eta vs tors. theta energy: -65.198
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: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -779.429149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.429149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.429149 (E_RNA)
where:
Base-Base interactions energy: -540.897
where: short stacking energy: -226.621
Base-Backbone interact. energy: -0.619
local terms energy: -237.913545
where:
bonds (distance) C4'-P energy: -45.970
bonds (distance) P-C4' energy: -45.813
flat angles C4'-P-C4' energy: -55.452
flat angles P-C4'-P energy: -28.895
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: 8, replica: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -754.074212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.074212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.074212 (E_RNA)
where:
Base-Base interactions energy: -522.768
where: short stacking energy: -215.222
Base-Backbone interact. energy: -0.565
local terms energy: -230.740702
where:
bonds (distance) C4'-P energy: -38.912
bonds (distance) P-C4' energy: -47.612
flat angles C4'-P-C4' energy: -57.143
flat angles P-C4'-P energy: -29.903
tors. eta vs tors. theta energy: -57.170
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: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -413.442266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.442266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.442266 (E_RNA)
where:
Base-Base interactions energy: -247.141
where: short stacking energy: -113.632
Base-Backbone interact. energy: 1.033
local terms energy: -167.334267
where:
bonds (distance) C4'-P energy: -38.003
bonds (distance) P-C4' energy: -54.250
flat angles C4'-P-C4' energy: -39.573
flat angles P-C4'-P energy: -23.222
tors. eta vs tors. theta energy: -12.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -224.988190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.988190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.988190 (E_RNA)
where:
Base-Base interactions energy: -78.018
where: short stacking energy: -59.985
Base-Backbone interact. energy: -0.198
local terms energy: -146.772409
where:
bonds (distance) C4'-P energy: -51.141
bonds (distance) P-C4' energy: -44.703
flat angles C4'-P-C4' energy: -39.636
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: 2.586
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: 4
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -970.888974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.888974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.888974 (E_RNA)
where:
Base-Base interactions energy: -658.676
where: short stacking energy: -294.762
Base-Backbone interact. energy: 0.380
local terms energy: -312.593894
where:
bonds (distance) C4'-P energy: -56.554
bonds (distance) P-C4' energy: -50.823
flat angles C4'-P-C4' energy: -62.883
flat angles P-C4'-P energy: -49.878
tors. eta vs tors. theta energy: -92.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -947.215555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.215555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.215555 (E_RNA)
where:
Base-Base interactions energy: -667.778
where: short stacking energy: -279.867
Base-Backbone interact. energy: -1.367
local terms energy: -278.070988
where:
bonds (distance) C4'-P energy: -49.146
bonds (distance) P-C4' energy: -46.779
flat angles C4'-P-C4' energy: -57.284
flat angles P-C4'-P energy: -40.552
tors. eta vs tors. theta energy: -84.311
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: 465
Temperature: 1.000000
Total energy: -925.170389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.170389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.170389 (E_RNA)
where:
Base-Base interactions energy: -647.077
where: short stacking energy: -278.504
Base-Backbone interact. energy: -0.290
local terms energy: -277.803274
where:
bonds (distance) C4'-P energy: -44.945
bonds (distance) P-C4' energy: -49.660
flat angles C4'-P-C4' energy: -58.000
flat angles P-C4'-P energy: -44.123
tors. eta vs tors. theta energy: -81.075
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: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -853.666370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.666370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.666370 (E_RNA)
where:
Base-Base interactions energy: -589.436
where: short stacking energy: -241.692
Base-Backbone interact. energy: -0.695
local terms energy: -263.535389
where:
bonds (distance) C4'-P energy: -53.730
bonds (distance) P-C4' energy: -50.523
flat angles C4'-P-C4' energy: -44.927
flat angles P-C4'-P energy: -39.700
tors. eta vs tors. theta energy: -74.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -832.815600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.815600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.815600 (E_RNA)
where:
Base-Base interactions energy: -580.890
where: short stacking energy: -255.212
Base-Backbone interact. energy: -0.634
local terms energy: -251.291743
where:
bonds (distance) C4'-P energy: -40.963
bonds (distance) P-C4' energy: -43.435
flat angles C4'-P-C4' energy: -59.209
flat angles P-C4'-P energy: -33.703
tors. eta vs tors. theta energy: -73.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -810.472283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.472283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.472283 (E_RNA)
where:
Base-Base interactions energy: -554.206
where: short stacking energy: -251.096
Base-Backbone interact. energy: -0.383
local terms energy: -255.883532
where:
bonds (distance) C4'-P energy: -48.059
bonds (distance) P-C4' energy: -51.083
flat angles C4'-P-C4' energy: -54.878
flat angles P-C4'-P energy: -38.223
tors. eta vs tors. theta energy: -63.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -753.092229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.092229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.092229 (E_RNA)
where:
Base-Base interactions energy: -529.172
where: short stacking energy: -224.665
Base-Backbone interact. energy: -0.472
local terms energy: -223.448627
where:
bonds (distance) C4'-P energy: -47.847
bonds (distance) P-C4' energy: -37.082
flat angles C4'-P-C4' energy: -49.965
flat angles P-C4'-P energy: -39.658
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: 8, replica: 7
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -769.451322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.451322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.451322 (E_RNA)
where:
Base-Base interactions energy: -535.516
where: short stacking energy: -219.186
Base-Backbone interact. energy: -2.224
local terms energy: -231.711526
where:
bonds (distance) C4'-P energy: -44.371
bonds (distance) P-C4' energy: -48.904
flat angles C4'-P-C4' energy: -46.440
flat angles P-C4'-P energy: -34.100
tors. eta vs tors. theta energy: -57.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -435.478285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.478285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.478285 (E_RNA)
where:
Base-Base interactions energy: -257.238
where: short stacking energy: -116.503
Base-Backbone interact. energy: 0.187
local terms energy: -178.427391
where:
bonds (distance) C4'-P energy: -54.728
bonds (distance) P-C4' energy: -43.884
flat angles C4'-P-C4' energy: -34.692
flat angles P-C4'-P energy: -27.669
tors. eta vs tors. theta energy: -17.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -211.835647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.835647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.835647 (E_RNA)
where:
Base-Base interactions energy: -62.555
where: short stacking energy: -54.026
Base-Backbone interact. energy: 0.282
local terms energy: -149.562899
where:
bonds (distance) C4'-P energy: -47.140
bonds (distance) P-C4' energy: -45.089
flat angles C4'-P-C4' energy: -34.513
flat angles P-C4'-P energy: -31.922
tors. eta vs tors. theta energy: 9.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -974.991981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.991981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.991981 (E_RNA)
where:
Base-Base interactions energy: -681.020
where: short stacking energy: -296.502
Base-Backbone interact. energy: -2.004
local terms energy: -291.967791
where:
bonds (distance) C4'-P energy: -55.578
bonds (distance) P-C4' energy: -40.437
flat angles C4'-P-C4' energy: -61.384
flat angles P-C4'-P energy: -43.435
tors. eta vs tors. theta energy: -91.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -958.167345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.167345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.167345 (E_RNA)
where:
Base-Base interactions energy: -678.747
where: short stacking energy: -301.089
Base-Backbone interact. energy: -0.690
local terms energy: -278.730044
where:
bonds (distance) C4'-P energy: -46.553
bonds (distance) P-C4' energy: -50.539
flat angles C4'-P-C4' energy: -56.700
flat angles P-C4'-P energy: -38.230
tors. eta vs tors. theta energy: -86.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -944.973808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.973808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.973808 (E_RNA)
where:
Base-Base interactions energy: -648.359
where: short stacking energy: -281.268
Base-Backbone interact. energy: 0.975
local terms energy: -297.589929
where:
bonds (distance) C4'-P energy: -42.705
bonds (distance) P-C4' energy: -54.743
flat angles C4'-P-C4' energy: -60.367
flat angles P-C4'-P energy: -47.998
tors. eta vs tors. theta energy: -91.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -850.523526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.523526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.523526 (E_RNA)
where:
Base-Base interactions energy: -584.088
where: short stacking energy: -250.165
Base-Backbone interact. energy: 2.105
local terms energy: -268.539712
where:
bonds (distance) C4'-P energy: -52.298
bonds (distance) P-C4' energy: -51.427
flat angles C4'-P-C4' energy: -60.114
flat angles P-C4'-P energy: -36.539
tors. eta vs tors. theta energy: -68.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -851.819652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.819652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.819652 (E_RNA)
where:
Base-Base interactions energy: -589.937
where: short stacking energy: -238.515
Base-Backbone interact. energy: 2.029
local terms energy: -263.912047
where:
bonds (distance) C4'-P energy: -53.486
bonds (distance) P-C4' energy: -52.147
flat angles C4'-P-C4' energy: -53.416
flat angles P-C4'-P energy: -37.031
tors. eta vs tors. theta energy: -67.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -789.238257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.238257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.238257 (E_RNA)
where:
Base-Base interactions energy: -546.007
where: short stacking energy: -241.824
Base-Backbone interact. energy: -0.386
local terms energy: -242.845128
where:
bonds (distance) C4'-P energy: -42.099
bonds (distance) P-C4' energy: -50.608
flat angles C4'-P-C4' energy: -54.119
flat angles P-C4'-P energy: -27.689
tors. eta vs tors. theta energy: -68.330
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: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -773.627552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.627552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.627552 (E_RNA)
where:
Base-Base interactions energy: -534.751
where: short stacking energy: -236.162
Base-Backbone interact. energy: -0.346
local terms energy: -238.529818
where:
bonds (distance) C4'-P energy: -46.796
bonds (distance) P-C4' energy: -34.592
flat angles C4'-P-C4' energy: -54.827
flat angles P-C4'-P energy: -35.918
tors. eta vs tors. theta energy: -66.398
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: 466
Temperature: 1.250000
Total energy: -789.336819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.336819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.336819 (E_RNA)
where:
Base-Base interactions energy: -546.985
where: short stacking energy: -231.136
Base-Backbone interact. energy: -1.122
local terms energy: -241.229450
where:
bonds (distance) C4'-P energy: -44.667
bonds (distance) P-C4' energy: -41.289
flat angles C4'-P-C4' energy: -56.680
flat angles P-C4'-P energy: -37.960
tors. eta vs tors. theta energy: -60.634
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: 9, replica: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -432.923863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.923863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.923863 (E_RNA)
where:
Base-Base interactions energy: -233.329
where: short stacking energy: -115.256
Base-Backbone interact. energy: -1.256
local terms energy: -198.339432
where:
bonds (distance) C4'-P energy: -50.538
bonds (distance) P-C4' energy: -54.618
flat angles C4'-P-C4' energy: -44.539
flat angles P-C4'-P energy: -29.227
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -227.390920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.390920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.390920 (E_RNA)
where:
Base-Base interactions energy: -65.946
where: short stacking energy: -60.672
Base-Backbone interact. energy: 1.057
local terms energy: -162.502831
where:
bonds (distance) C4'-P energy: -39.054
bonds (distance) P-C4' energy: -52.661
flat angles C4'-P-C4' energy: -44.224
flat angles P-C4'-P energy: -27.923
tors. eta vs tors. theta energy: 1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -979.225575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.225575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.225575 (E_RNA)
where:
Base-Base interactions energy: -662.466
where: short stacking energy: -292.323
Base-Backbone interact. energy: -0.696
local terms energy: -316.064068
where:
bonds (distance) C4'-P energy: -60.366
bonds (distance) P-C4' energy: -59.382
flat angles C4'-P-C4' energy: -59.539
flat angles P-C4'-P energy: -46.729
tors. eta vs tors. theta energy: -90.047
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: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -947.336565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.336565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.336565 (E_RNA)
where:
Base-Base interactions energy: -660.760
where: short stacking energy: -293.135
Base-Backbone interact. energy: -0.063
local terms energy: -286.512604
where:
bonds (distance) C4'-P energy: -41.680
bonds (distance) P-C4' energy: -55.045
flat angles C4'-P-C4' energy: -60.979
flat angles P-C4'-P energy: -42.497
tors. eta vs tors. theta energy: -86.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -949.557297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.557297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.557297 (E_RNA)
where:
Base-Base interactions energy: -666.378
where: short stacking energy: -282.377
Base-Backbone interact. energy: -1.328
local terms energy: -281.851087
where:
bonds (distance) C4'-P energy: -48.564
bonds (distance) P-C4' energy: -52.145
flat angles C4'-P-C4' energy: -53.832
flat angles P-C4'-P energy: -38.719
tors. eta vs tors. theta energy: -88.592
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: 3
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -843.460991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.460991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.460991 (E_RNA)
where:
Base-Base interactions energy: -570.137
where: short stacking energy: -256.238
Base-Backbone interact. energy: -0.319
local terms energy: -273.005476
where:
bonds (distance) C4'-P energy: -47.071
bonds (distance) P-C4' energy: -52.692
flat angles C4'-P-C4' energy: -56.200
flat angles P-C4'-P energy: -44.979
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: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -867.252346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.252346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.252346 (E_RNA)
where:
Base-Base interactions energy: -591.242
where: short stacking energy: -267.062
Base-Backbone interact. energy: -0.239
local terms energy: -275.771232
where:
bonds (distance) C4'-P energy: -57.323
bonds (distance) P-C4' energy: -53.158
flat angles C4'-P-C4' energy: -51.967
flat angles P-C4'-P energy: -37.760
tors. eta vs tors. theta energy: -75.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -780.164580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.164580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.164580 (E_RNA)
where:
Base-Base interactions energy: -544.029
where: short stacking energy: -234.708
Base-Backbone interact. energy: 0.235
local terms energy: -236.371252
where:
bonds (distance) C4'-P energy: -47.107
bonds (distance) P-C4' energy: -34.169
flat angles C4'-P-C4' energy: -56.970
flat angles P-C4'-P energy: -35.049
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: 1
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -749.201683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.201683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.201683 (E_RNA)
where:
Base-Base interactions energy: -509.269
where: short stacking energy: -211.721
Base-Backbone interact. energy: 0.782
local terms energy: -240.715335
where:
bonds (distance) C4'-P energy: -40.205
bonds (distance) P-C4' energy: -48.926
flat angles C4'-P-C4' energy: -54.582
flat angles P-C4'-P energy: -40.604
tors. eta vs tors. theta energy: -56.398
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: 467
Temperature: 1.250000
Total energy: -740.713844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.713844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.713844 (E_RNA)
where:
Base-Base interactions energy: -513.149
where: short stacking energy: -218.220
Base-Backbone interact. energy: -1.728
local terms energy: -225.837025
where:
bonds (distance) C4'-P energy: -47.199
bonds (distance) P-C4' energy: -47.498
flat angles C4'-P-C4' energy: -47.165
flat angles P-C4'-P energy: -28.700
tors. eta vs tors. theta energy: -55.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -422.418648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.418648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.418648 (E_RNA)
where:
Base-Base interactions energy: -250.404
where: short stacking energy: -119.580
Base-Backbone interact. energy: 1.215
local terms energy: -173.229264
where:
bonds (distance) C4'-P energy: -53.490
bonds (distance) P-C4' energy: -39.692
flat angles C4'-P-C4' energy: -31.519
flat angles P-C4'-P energy: -28.852
tors. eta vs tors. theta energy: -19.677
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: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -235.383800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.383800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.383800 (E_RNA)
where:
Base-Base interactions energy: -85.594
where: short stacking energy: -79.816
Base-Backbone interact. energy: -0.108
local terms energy: -149.681437
where:
bonds (distance) C4'-P energy: -45.584
bonds (distance) P-C4' energy: -48.912
flat angles C4'-P-C4' energy: -39.200
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: 3.251
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: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -973.200233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.200233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.200233 (E_RNA)
where:
Base-Base interactions energy: -683.240
where: short stacking energy: -295.109
Base-Backbone interact. energy: 0.059
local terms energy: -290.019310
where:
bonds (distance) C4'-P energy: -43.261
bonds (distance) P-C4' energy: -63.516
flat angles C4'-P-C4' energy: -59.225
flat angles P-C4'-P energy: -38.824
tors. eta vs tors. theta energy: -85.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -948.904416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.904416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.904416 (E_RNA)
where:
Base-Base interactions energy: -659.186
where: short stacking energy: -285.361
Base-Backbone interact. energy: -1.209
local terms energy: -288.508503
where:
bonds (distance) C4'-P energy: -46.620
bonds (distance) P-C4' energy: -50.625
flat angles C4'-P-C4' energy: -52.264
flat angles P-C4'-P energy: -46.627
tors. eta vs tors. theta energy: -92.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -928.613571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.613571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.613571 (E_RNA)
where:
Base-Base interactions energy: -650.145
where: short stacking energy: -289.470
Base-Backbone interact. energy: 0.914
local terms energy: -279.382319
where:
bonds (distance) C4'-P energy: -53.925
bonds (distance) P-C4' energy: -51.018
flat angles C4'-P-C4' energy: -53.250
flat angles P-C4'-P energy: -37.169
tors. eta vs tors. theta energy: -84.021
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: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -854.511272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.511272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.511272 (E_RNA)
where:
Base-Base interactions energy: -594.893
where: short stacking energy: -254.429
Base-Backbone interact. energy: 1.300
local terms energy: -260.918056
where:
bonds (distance) C4'-P energy: -45.941
bonds (distance) P-C4' energy: -46.380
flat angles C4'-P-C4' energy: -55.027
flat angles P-C4'-P energy: -40.388
tors. eta vs tors. theta energy: -73.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -854.953698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.953698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.953698 (E_RNA)
where:
Base-Base interactions energy: -578.116
where: short stacking energy: -253.278
Base-Backbone interact. energy: -0.864
local terms energy: -275.973599
where:
bonds (distance) C4'-P energy: -38.890
bonds (distance) P-C4' energy: -60.088
flat angles C4'-P-C4' energy: -54.077
flat angles P-C4'-P energy: -41.719
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: 6, replica: 6
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -791.261449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.261449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.261449 (E_RNA)
where:
Base-Base interactions energy: -546.078
where: short stacking energy: -233.015
Base-Backbone interact. energy: -1.078
local terms energy: -244.106041
where:
bonds (distance) C4'-P energy: -47.144
bonds (distance) P-C4' energy: -54.299
flat angles C4'-P-C4' energy: -46.565
flat angles P-C4'-P energy: -37.637
tors. eta vs tors. theta energy: -58.461
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: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -780.821803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.821803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.821803 (E_RNA)
where:
Base-Base interactions energy: -557.614
where: short stacking energy: -235.728
Base-Backbone interact. energy: -0.705
local terms energy: -222.502692
where:
bonds (distance) C4'-P energy: -35.982
bonds (distance) P-C4' energy: -39.585
flat angles C4'-P-C4' energy: -51.345
flat angles P-C4'-P energy: -31.026
tors. eta vs tors. theta energy: -64.565
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: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -731.027795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.027795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.027795 (E_RNA)
where:
Base-Base interactions energy: -519.906
where: short stacking energy: -204.377
Base-Backbone interact. energy: -1.753
local terms energy: -209.369160
where:
bonds (distance) C4'-P energy: -42.175
bonds (distance) P-C4' energy: -49.717
flat angles C4'-P-C4' energy: -42.824
flat angles P-C4'-P energy: -27.495
tors. eta vs tors. theta energy: -47.158
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: 10
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -430.377504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.377504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.377504 (E_RNA)
where:
Base-Base interactions energy: -266.882
where: short stacking energy: -117.895
Base-Backbone interact. energy: 2.320
local terms energy: -165.814737
where:
bonds (distance) C4'-P energy: -34.428
bonds (distance) P-C4' energy: -44.276
flat angles C4'-P-C4' energy: -41.609
flat angles P-C4'-P energy: -35.154
tors. eta vs tors. theta energy: -10.348
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: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -234.862140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.862140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.862140 (E_RNA)
where:
Base-Base interactions energy: -81.344
where: short stacking energy: -74.610
Base-Backbone interact. energy: 0.694
local terms energy: -154.212014
where:
bonds (distance) C4'-P energy: -40.288
bonds (distance) P-C4' energy: -41.312
flat angles C4'-P-C4' energy: -39.967
flat angles P-C4'-P energy: -22.743
tors. eta vs tors. theta energy: -9.901
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: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -970.326171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.326171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.326171 (E_RNA)
where:
Base-Base interactions energy: -670.694
where: short stacking energy: -298.619
Base-Backbone interact. energy: -0.672
local terms energy: -298.960821
where:
bonds (distance) C4'-P energy: -53.090
bonds (distance) P-C4' energy: -53.335
flat angles C4'-P-C4' energy: -61.680
flat angles P-C4'-P energy: -43.098
tors. eta vs tors. theta energy: -87.757
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: 2, replica: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -945.403520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.403520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.403520 (E_RNA)
where:
Base-Base interactions energy: -656.985
where: short stacking energy: -287.869
Base-Backbone interact. energy: -0.482
local terms energy: -287.936914
where:
bonds (distance) C4'-P energy: -56.044
bonds (distance) P-C4' energy: -57.040
flat angles C4'-P-C4' energy: -52.107
flat angles P-C4'-P energy: -38.227
tors. eta vs tors. theta energy: -84.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -937.492486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.492486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.492486 (E_RNA)
where:
Base-Base interactions energy: -647.586
where: short stacking energy: -288.535
Base-Backbone interact. energy: -2.251
local terms energy: -287.655957
where:
bonds (distance) C4'-P energy: -49.414
bonds (distance) P-C4' energy: -53.961
flat angles C4'-P-C4' energy: -61.889
flat angles P-C4'-P energy: -34.174
tors. eta vs tors. theta energy: -88.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -855.394021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.394021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.394021 (E_RNA)
where:
Base-Base interactions energy: -572.012
where: short stacking energy: -242.367
Base-Backbone interact. energy: -1.612
local terms energy: -281.770190
where:
bonds (distance) C4'-P energy: -61.960
bonds (distance) P-C4' energy: -53.671
flat angles C4'-P-C4' energy: -55.744
flat angles P-C4'-P energy: -37.410
tors. eta vs tors. theta energy: -72.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -818.753554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.753554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.753554 (E_RNA)
where:
Base-Base interactions energy: -557.756
where: short stacking energy: -240.634
Base-Backbone interact. energy: -0.691
local terms energy: -260.306381
where:
bonds (distance) C4'-P energy: -52.184
bonds (distance) P-C4' energy: -45.657
flat angles C4'-P-C4' energy: -53.969
flat angles P-C4'-P energy: -34.133
tors. eta vs tors. theta energy: -74.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -817.825308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.825308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.825308 (E_RNA)
where:
Base-Base interactions energy: -567.911
where: short stacking energy: -244.933
Base-Backbone interact. energy: -0.993
local terms energy: -248.920995
where:
bonds (distance) C4'-P energy: -45.397
bonds (distance) P-C4' energy: -44.176
flat angles C4'-P-C4' energy: -57.329
flat angles P-C4'-P energy: -37.126
tors. eta vs tors. theta energy: -64.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -756.665149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.665149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.665149 (E_RNA)
where:
Base-Base interactions energy: -521.297
where: short stacking energy: -222.134
Base-Backbone interact. energy: 5.510
local terms energy: -240.877578
where:
bonds (distance) C4'-P energy: -44.563
bonds (distance) P-C4' energy: -49.414
flat angles C4'-P-C4' energy: -54.573
flat angles P-C4'-P energy: -34.209
tors. eta vs tors. theta energy: -58.118
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: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -730.010985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.010985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.010985 (E_RNA)
where:
Base-Base interactions energy: -507.647
where: short stacking energy: -212.886
Base-Backbone interact. energy: 0.556
local terms energy: -222.919666
where:
bonds (distance) C4'-P energy: -31.522
bonds (distance) P-C4' energy: -47.364
flat angles C4'-P-C4' energy: -48.540
flat angles P-C4'-P energy: -30.046
tors. eta vs tors. theta energy: -65.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -434.362410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.362410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.362410 (E_RNA)
where:
Base-Base interactions energy: -248.414
where: short stacking energy: -120.587
Base-Backbone interact. energy: 2.441
local terms energy: -188.389065
where:
bonds (distance) C4'-P energy: -38.734
bonds (distance) P-C4' energy: -50.747
flat angles C4'-P-C4' energy: -49.167
flat angles P-C4'-P energy: -30.270
tors. eta vs tors. theta energy: -19.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -247.440776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.440776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.440776 (E_RNA)
where:
Base-Base interactions energy: -96.363
where: short stacking energy: -50.459
Base-Backbone interact. energy: -0.648
local terms energy: -150.429443
where:
bonds (distance) C4'-P energy: -52.871
bonds (distance) P-C4' energy: -37.686
flat angles C4'-P-C4' energy: -43.015
flat angles P-C4'-P energy: -29.442
tors. eta vs tors. theta energy: 12.584
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: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -959.571144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.571144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.571144 (E_RNA)
where:
Base-Base interactions energy: -667.918
where: short stacking energy: -277.725
Base-Backbone interact. energy: -1.366
local terms energy: -290.287034
where:
bonds (distance) C4'-P energy: -55.099
bonds (distance) P-C4' energy: -53.861
flat angles C4'-P-C4' energy: -61.739
flat angles P-C4'-P energy: -41.460
tors. eta vs tors. theta energy: -78.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -944.843087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.843087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.843087 (E_RNA)
where:
Base-Base interactions energy: -657.486
where: short stacking energy: -277.433
Base-Backbone interact. energy: -1.169
local terms energy: -286.187672
where:
bonds (distance) C4'-P energy: -55.597
bonds (distance) P-C4' energy: -49.567
flat angles C4'-P-C4' energy: -59.569
flat angles P-C4'-P energy: -37.978
tors. eta vs tors. theta energy: -83.476
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: 9
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -932.454979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.454979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.454979 (E_RNA)
where:
Base-Base interactions energy: -654.097
where: short stacking energy: -282.847
Base-Backbone interact. energy: -3.008
local terms energy: -275.350562
where:
bonds (distance) C4'-P energy: -46.766
bonds (distance) P-C4' energy: -49.823
flat angles C4'-P-C4' energy: -59.628
flat angles P-C4'-P energy: -37.499
tors. eta vs tors. theta energy: -81.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -864.703002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.703002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.703002 (E_RNA)
where:
Base-Base interactions energy: -590.624
where: short stacking energy: -254.936
Base-Backbone interact. energy: -0.945
local terms energy: -273.133029
where:
bonds (distance) C4'-P energy: -45.658
bonds (distance) P-C4' energy: -51.633
flat angles C4'-P-C4' energy: -62.708
flat angles P-C4'-P energy: -37.144
tors. eta vs tors. theta energy: -75.991
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: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -831.407290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.407290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.407290 (E_RNA)
where:
Base-Base interactions energy: -568.041
where: short stacking energy: -246.184
Base-Backbone interact. energy: -0.847
local terms energy: -262.519914
where:
bonds (distance) C4'-P energy: -53.039
bonds (distance) P-C4' energy: -50.110
flat angles C4'-P-C4' energy: -59.723
flat angles P-C4'-P energy: -33.247
tors. eta vs tors. theta energy: -66.401
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: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -823.669806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.669806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.669806 (E_RNA)
where:
Base-Base interactions energy: -578.625
where: short stacking energy: -241.518
Base-Backbone interact. energy: -0.596
local terms energy: -244.448926
where:
bonds (distance) C4'-P energy: -47.644
bonds (distance) P-C4' energy: -41.151
flat angles C4'-P-C4' energy: -57.354
flat angles P-C4'-P energy: -29.771
tors. eta vs tors. theta energy: -68.528
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: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -755.349965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.349965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.349965 (E_RNA)
where:
Base-Base interactions energy: -522.135
where: short stacking energy: -213.720
Base-Backbone interact. energy: -0.327
local terms energy: -232.888638
where:
bonds (distance) C4'-P energy: -37.228
bonds (distance) P-C4' energy: -53.966
flat angles C4'-P-C4' energy: -54.419
flat angles P-C4'-P energy: -33.930
tors. eta vs tors. theta energy: -53.346
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: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -725.442471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.442471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.442471 (E_RNA)
where:
Base-Base interactions energy: -487.818
where: short stacking energy: -215.614
Base-Backbone interact. energy: -0.101
local terms energy: -237.523546
where:
bonds (distance) C4'-P energy: -47.123
bonds (distance) P-C4' energy: -49.359
flat angles C4'-P-C4' energy: -57.959
flat angles P-C4'-P energy: -31.740
tors. eta vs tors. theta energy: -51.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -458.265485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.265485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.265485 (E_RNA)
where:
Base-Base interactions energy: -273.059
where: short stacking energy: -124.355
Base-Backbone interact. energy: -0.232
local terms energy: -184.974833
where:
bonds (distance) C4'-P energy: -40.851
bonds (distance) P-C4' energy: -43.434
flat angles C4'-P-C4' energy: -46.049
flat angles P-C4'-P energy: -33.100
tors. eta vs tors. theta energy: -21.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -253.212244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.212244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.212244 (E_RNA)
where:
Base-Base interactions energy: -93.467
where: short stacking energy: -87.188
Base-Backbone interact. energy: -0.799
local terms energy: -158.945602
where:
bonds (distance) C4'-P energy: -42.178
bonds (distance) P-C4' energy: -34.973
flat angles C4'-P-C4' energy: -38.812
flat angles P-C4'-P energy: -27.948
tors. eta vs tors. theta energy: -15.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -949.907446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.907446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.907446 (E_RNA)
where:
Base-Base interactions energy: -664.331
where: short stacking energy: -280.695
Base-Backbone interact. energy: -0.536
local terms energy: -285.040786
where:
bonds (distance) C4'-P energy: -48.005
bonds (distance) P-C4' energy: -50.087
flat angles C4'-P-C4' energy: -62.363
flat angles P-C4'-P energy: -45.730
tors. eta vs tors. theta energy: -78.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -940.569801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.569801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.569801 (E_RNA)
where:
Base-Base interactions energy: -650.091
where: short stacking energy: -282.721
Base-Backbone interact. energy: -2.095
local terms energy: -288.384163
where:
bonds (distance) C4'-P energy: -54.559
bonds (distance) P-C4' energy: -57.963
flat angles C4'-P-C4' energy: -59.747
flat angles P-C4'-P energy: -29.954
tors. eta vs tors. theta energy: -86.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -928.898130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.898130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.898130 (E_RNA)
where:
Base-Base interactions energy: -639.503
where: short stacking energy: -269.111
Base-Backbone interact. energy: -0.749
local terms energy: -288.646101
where:
bonds (distance) C4'-P energy: -48.160
bonds (distance) P-C4' energy: -60.305
flat angles C4'-P-C4' energy: -61.888
flat angles P-C4'-P energy: -39.682
tors. eta vs tors. theta energy: -78.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -872.894984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.894984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.894984 (E_RNA)
where:
Base-Base interactions energy: -597.639
where: short stacking energy: -262.705
Base-Backbone interact. energy: 1.141
local terms energy: -276.397206
where:
bonds (distance) C4'-P energy: -50.720
bonds (distance) P-C4' energy: -54.513
flat angles C4'-P-C4' energy: -54.135
flat angles P-C4'-P energy: -41.429
tors. eta vs tors. theta energy: -75.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -853.716518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.716518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.716518 (E_RNA)
where:
Base-Base interactions energy: -579.856
where: short stacking energy: -258.954
Base-Backbone interact. energy: 2.914
local terms energy: -276.774381
where:
bonds (distance) C4'-P energy: -49.269
bonds (distance) P-C4' energy: -56.233
flat angles C4'-P-C4' energy: -59.341
flat angles P-C4'-P energy: -34.432
tors. eta vs tors. theta energy: -77.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -812.200736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.200736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.200736 (E_RNA)
where:
Base-Base interactions energy: -554.516
where: short stacking energy: -230.626
Base-Backbone interact. energy: -0.752
local terms energy: -256.932559
where:
bonds (distance) C4'-P energy: -44.925
bonds (distance) P-C4' energy: -50.488
flat angles C4'-P-C4' energy: -53.500
flat angles P-C4'-P energy: -36.039
tors. eta vs tors. theta energy: -71.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -732.972037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.972037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.972037 (E_RNA)
where:
Base-Base interactions energy: -515.210
where: short stacking energy: -216.728
Base-Backbone interact. energy: -0.586
local terms energy: -217.176240
where:
bonds (distance) C4'-P energy: -37.905
bonds (distance) P-C4' energy: -49.865
flat angles C4'-P-C4' energy: -51.416
flat angles P-C4'-P energy: -27.467
tors. eta vs tors. theta energy: -50.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -737.225194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.225194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.225194 (E_RNA)
where:
Base-Base interactions energy: -526.000
where: short stacking energy: -223.923
Base-Backbone interact. energy: 1.063
local terms energy: -212.287503
where:
bonds (distance) C4'-P energy: -36.188
bonds (distance) P-C4' energy: -45.202
flat angles C4'-P-C4' energy: -48.387
flat angles P-C4'-P energy: -29.371
tors. eta vs tors. theta energy: -53.140
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: 9, replica: 10
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -485.320514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.320514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.320514 (E_RNA)
where:
Base-Base interactions energy: -298.398
where: short stacking energy: -144.823
Base-Backbone interact. energy: -0.341
local terms energy: -186.582048
where:
bonds (distance) C4'-P energy: -25.487
bonds (distance) P-C4' energy: -49.544
flat angles C4'-P-C4' energy: -45.912
flat angles P-C4'-P energy: -30.774
tors. eta vs tors. theta energy: -34.864
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: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -216.488571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.488571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.488571 (E_RNA)
where:
Base-Base interactions energy: -71.459
where: short stacking energy: -63.258
Base-Backbone interact. energy: -0.171
local terms energy: -144.858744
where:
bonds (distance) C4'-P energy: -45.621
bonds (distance) P-C4' energy: -41.266
flat angles C4'-P-C4' energy: -32.174
flat angles P-C4'-P energy: -29.281
tors. eta vs tors. theta energy: 3.484
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: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -959.901003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.901003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.901003 (E_RNA)
where:
Base-Base interactions energy: -671.251
where: short stacking energy: -274.941
Base-Backbone interact. energy: -1.203
local terms energy: -287.446532
where:
bonds (distance) C4'-P energy: -42.815
bonds (distance) P-C4' energy: -52.244
flat angles C4'-P-C4' energy: -64.183
flat angles P-C4'-P energy: -42.722
tors. eta vs tors. theta energy: -85.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -930.162299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.162299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.162299 (E_RNA)
where:
Base-Base interactions energy: -655.895
where: short stacking energy: -281.697
Base-Backbone interact. energy: 0.044
local terms energy: -274.312046
where:
bonds (distance) C4'-P energy: -41.311
bonds (distance) P-C4' energy: -47.946
flat angles C4'-P-C4' energy: -56.435
flat angles P-C4'-P energy: -45.404
tors. eta vs tors. theta energy: -83.216
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: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -938.315144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.315144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.315144 (E_RNA)
where:
Base-Base interactions energy: -649.200
where: short stacking energy: -281.100
Base-Backbone interact. energy: 0.025
local terms energy: -289.140288
where:
bonds (distance) C4'-P energy: -42.811
bonds (distance) P-C4' energy: -54.756
flat angles C4'-P-C4' energy: -55.607
flat angles P-C4'-P energy: -44.786
tors. eta vs tors. theta energy: -91.180
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: 7
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -863.618276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.618276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.618276 (E_RNA)
where:
Base-Base interactions energy: -582.969
where: short stacking energy: -257.444
Base-Backbone interact. energy: -1.080
local terms energy: -279.568797
where:
bonds (distance) C4'-P energy: -44.934
bonds (distance) P-C4' energy: -53.749
flat angles C4'-P-C4' energy: -58.649
flat angles P-C4'-P energy: -43.257
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: 472
Temperature: 1.100000
Total energy: -825.711963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.711963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.711963 (E_RNA)
where:
Base-Base interactions energy: -564.952
where: short stacking energy: -252.621
Base-Backbone interact. energy: 6.930
local terms energy: -267.689195
where:
bonds (distance) C4'-P energy: -54.828
bonds (distance) P-C4' energy: -45.795
flat angles C4'-P-C4' energy: -53.564
flat angles P-C4'-P energy: -37.226
tors. eta vs tors. theta energy: -76.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -797.532866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.532866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.532866 (E_RNA)
where:
Base-Base interactions energy: -548.415
where: short stacking energy: -222.275
Base-Backbone interact. energy: 1.988
local terms energy: -251.105234
where:
bonds (distance) C4'-P energy: -48.204
bonds (distance) P-C4' energy: -54.470
flat angles C4'-P-C4' energy: -58.265
flat angles P-C4'-P energy: -32.036
tors. eta vs tors. theta energy: -58.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -713.975603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.975603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.975603 (E_RNA)
where:
Base-Base interactions energy: -510.731
where: short stacking energy: -223.227
Base-Backbone interact. energy: -0.937
local terms energy: -202.307565
where:
bonds (distance) C4'-P energy: -38.018
bonds (distance) P-C4' energy: -37.664
flat angles C4'-P-C4' energy: -52.397
flat angles P-C4'-P energy: -21.492
tors. eta vs tors. theta energy: -52.737
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: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -719.704010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.704010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.704010 (E_RNA)
where:
Base-Base interactions energy: -484.817
where: short stacking energy: -210.160
Base-Backbone interact. energy: -0.472
local terms energy: -234.414383
where:
bonds (distance) C4'-P energy: -47.905
bonds (distance) P-C4' energy: -47.569
flat angles C4'-P-C4' energy: -47.667
flat angles P-C4'-P energy: -34.850
tors. eta vs tors. theta energy: -56.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -484.306566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.306566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.306566 (E_RNA)
where:
Base-Base interactions energy: -321.719
where: short stacking energy: -146.800
Base-Backbone interact. energy: 3.214
local terms energy: -165.801016
where:
bonds (distance) C4'-P energy: -42.792
bonds (distance) P-C4' energy: -48.822
flat angles C4'-P-C4' energy: -27.214
flat angles P-C4'-P energy: -18.251
tors. eta vs tors. theta energy: -28.721
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: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -231.173876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.173876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.173876 (E_RNA)
where:
Base-Base interactions energy: -81.219
where: short stacking energy: -84.815
Base-Backbone interact. energy: 6.053
local terms energy: -156.007763
where:
bonds (distance) C4'-P energy: -50.773
bonds (distance) P-C4' energy: -40.032
flat angles C4'-P-C4' energy: -39.575
flat angles P-C4'-P energy: -21.886
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -970.056666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.056666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.056666 (E_RNA)
where:
Base-Base interactions energy: -662.419
where: short stacking energy: -283.953
Base-Backbone interact. energy: -1.022
local terms energy: -306.615813
where:
bonds (distance) C4'-P energy: -51.308
bonds (distance) P-C4' energy: -59.927
flat angles C4'-P-C4' energy: -59.984
flat angles P-C4'-P energy: -46.845
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: 2, replica: 4
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -940.246494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.246494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.246494 (E_RNA)
where:
Base-Base interactions energy: -661.735
where: short stacking energy: -289.935
Base-Backbone interact. energy: -1.142
local terms energy: -277.369618
where:
bonds (distance) C4'-P energy: -39.155
bonds (distance) P-C4' energy: -51.570
flat angles C4'-P-C4' energy: -54.135
flat angles P-C4'-P energy: -45.696
tors. eta vs tors. theta energy: -86.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -933.047496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.047496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.047496 (E_RNA)
where:
Base-Base interactions energy: -646.306
where: short stacking energy: -277.825
Base-Backbone interact. energy: -0.223
local terms energy: -286.518765
where:
bonds (distance) C4'-P energy: -45.336
bonds (distance) P-C4' energy: -55.028
flat angles C4'-P-C4' energy: -60.788
flat angles P-C4'-P energy: -39.864
tors. eta vs tors. theta energy: -85.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -870.044001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.044001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.044001 (E_RNA)
where:
Base-Base interactions energy: -598.748
where: short stacking energy: -256.555
Base-Backbone interact. energy: -1.050
local terms energy: -270.246134
where:
bonds (distance) C4'-P energy: -46.998
bonds (distance) P-C4' energy: -46.995
flat angles C4'-P-C4' energy: -59.429
flat angles P-C4'-P energy: -41.508
tors. eta vs tors. theta energy: -75.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -828.917745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.917745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.917745 (E_RNA)
where:
Base-Base interactions energy: -568.224
where: short stacking energy: -249.950
Base-Backbone interact. energy: -0.399
local terms energy: -260.294976
where:
bonds (distance) C4'-P energy: -49.580
bonds (distance) P-C4' energy: -50.009
flat angles C4'-P-C4' energy: -56.690
flat angles P-C4'-P energy: -34.774
tors. eta vs tors. theta energy: -69.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -786.183887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.183887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.183887 (E_RNA)
where:
Base-Base interactions energy: -546.369
where: short stacking energy: -227.106
Base-Backbone interact. energy: 0.867
local terms energy: -240.681552
where:
bonds (distance) C4'-P energy: -43.490
bonds (distance) P-C4' energy: -46.759
flat angles C4'-P-C4' energy: -53.069
flat angles P-C4'-P energy: -34.459
tors. eta vs tors. theta energy: -62.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -735.726958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.726958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.726958 (E_RNA)
where:
Base-Base interactions energy: -496.940
where: short stacking energy: -207.436
Base-Backbone interact. energy: -0.815
local terms energy: -237.971922
where:
bonds (distance) C4'-P energy: -48.883
bonds (distance) P-C4' energy: -50.085
flat angles C4'-P-C4' energy: -52.414
flat angles P-C4'-P energy: -31.186
tors. eta vs tors. theta energy: -55.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -751.853728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.853728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.853728 (E_RNA)
where:
Base-Base interactions energy: -520.248
where: short stacking energy: -221.813
Base-Backbone interact. energy: -0.447
local terms energy: -231.159045
where:
bonds (distance) C4'-P energy: -46.756
bonds (distance) P-C4' energy: -46.997
flat angles C4'-P-C4' energy: -41.980
flat angles P-C4'-P energy: -33.433
tors. eta vs tors. theta energy: -61.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -489.519944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.519944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.519944 (E_RNA)
where:
Base-Base interactions energy: -287.545
where: short stacking energy: -137.036
Base-Backbone interact. energy: -0.538
local terms energy: -201.437531
where:
bonds (distance) C4'-P energy: -51.884
bonds (distance) P-C4' energy: -47.358
flat angles C4'-P-C4' energy: -38.197
flat angles P-C4'-P energy: -34.614
tors. eta vs tors. theta energy: -29.384
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: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -234.142948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.142948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.142948 (E_RNA)
where:
Base-Base interactions energy: -87.012
where: short stacking energy: -61.376
Base-Backbone interact. energy: -0.837
local terms energy: -146.293935
where:
bonds (distance) C4'-P energy: -51.383
bonds (distance) P-C4' energy: -52.047
flat angles C4'-P-C4' energy: -28.609
flat angles P-C4'-P energy: -25.319
tors. eta vs tors. theta energy: 11.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -960.545361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.545361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.545361 (E_RNA)
where:
Base-Base interactions energy: -662.548
where: short stacking energy: -294.052
Base-Backbone interact. energy: 0.619
local terms energy: -298.616479
where:
bonds (distance) C4'-P energy: -55.663
bonds (distance) P-C4' energy: -51.742
flat angles C4'-P-C4' energy: -59.773
flat angles P-C4'-P energy: -47.734
tors. eta vs tors. theta energy: -83.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -962.394885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.394885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.394885 (E_RNA)
where:
Base-Base interactions energy: -668.923
where: short stacking energy: -280.340
Base-Backbone interact. energy: -0.536
local terms energy: -292.935209
where:
bonds (distance) C4'-P energy: -52.068
bonds (distance) P-C4' energy: -53.130
flat angles C4'-P-C4' energy: -62.574
flat angles P-C4'-P energy: -49.191
tors. eta vs tors. theta energy: -75.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -924.052429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.052429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.052429 (E_RNA)
where:
Base-Base interactions energy: -643.192
where: short stacking energy: -283.334
Base-Backbone interact. energy: -0.046
local terms energy: -280.814074
where:
bonds (distance) C4'-P energy: -55.669
bonds (distance) P-C4' energy: -44.694
flat angles C4'-P-C4' energy: -58.496
flat angles P-C4'-P energy: -40.828
tors. eta vs tors. theta energy: -81.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -876.543754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.543754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.543754 (E_RNA)
where:
Base-Base interactions energy: -615.693
where: short stacking energy: -253.259
Base-Backbone interact. energy: -0.888
local terms energy: -259.962393
where:
bonds (distance) C4'-P energy: -44.739
bonds (distance) P-C4' energy: -42.232
flat angles C4'-P-C4' energy: -57.629
flat angles P-C4'-P energy: -38.825
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: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -814.258514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.258514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.258514 (E_RNA)
where:
Base-Base interactions energy: -559.243
where: short stacking energy: -231.961
Base-Backbone interact. energy: -0.903
local terms energy: -254.112337
where:
bonds (distance) C4'-P energy: -48.088
bonds (distance) P-C4' energy: -46.438
flat angles C4'-P-C4' energy: -48.712
flat angles P-C4'-P energy: -41.513
tors. eta vs tors. theta energy: -69.362
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: 2
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -805.649173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.649173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.649173 (E_RNA)
where:
Base-Base interactions energy: -558.419
where: short stacking energy: -222.252
Base-Backbone interact. energy: 1.409
local terms energy: -248.639014
where:
bonds (distance) C4'-P energy: -42.026
bonds (distance) P-C4' energy: -57.784
flat angles C4'-P-C4' energy: -52.429
flat angles P-C4'-P energy: -34.683
tors. eta vs tors. theta energy: -61.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -793.695284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.695284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.695284 (E_RNA)
where:
Base-Base interactions energy: -539.889
where: short stacking energy: -234.138
Base-Backbone interact. energy: -0.721
local terms energy: -253.085133
where:
bonds (distance) C4'-P energy: -48.331
bonds (distance) P-C4' energy: -49.793
flat angles C4'-P-C4' energy: -44.614
flat angles P-C4'-P energy: -43.940
tors. eta vs tors. theta energy: -66.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -763.221456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.221456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.221456 (E_RNA)
where:
Base-Base interactions energy: -532.060
where: short stacking energy: -220.059
Base-Backbone interact. energy: 3.213
local terms energy: -234.374371
where:
bonds (distance) C4'-P energy: -40.371
bonds (distance) P-C4' energy: -45.140
flat angles C4'-P-C4' energy: -49.586
flat angles P-C4'-P energy: -31.044
tors. eta vs tors. theta energy: -68.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -460.622248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.622248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.622248 (E_RNA)
where:
Base-Base interactions energy: -293.533
where: short stacking energy: -144.348
Base-Backbone interact. energy: -0.176
local terms energy: -166.913550
where:
bonds (distance) C4'-P energy: -32.802
bonds (distance) P-C4' energy: -46.244
flat angles C4'-P-C4' energy: -37.154
flat angles P-C4'-P energy: -22.783
tors. eta vs tors. theta energy: -27.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -292.068762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.068762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.068762 (E_RNA)
where:
Base-Base interactions energy: -147.473
where: short stacking energy: -85.831
Base-Backbone interact. energy: -0.767
local terms energy: -143.828814
where:
bonds (distance) C4'-P energy: -39.451
bonds (distance) P-C4' energy: -43.027
flat angles C4'-P-C4' energy: -32.936
flat angles P-C4'-P energy: -26.446
tors. eta vs tors. theta energy: -1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -974.097464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.097464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.097464 (E_RNA)
where:
Base-Base interactions energy: -678.282
where: short stacking energy: -301.792
Base-Backbone interact. energy: -1.175
local terms energy: -294.639958
where:
bonds (distance) C4'-P energy: -49.860
bonds (distance) P-C4' energy: -47.105
flat angles C4'-P-C4' energy: -65.818
flat angles P-C4'-P energy: -40.348
tors. eta vs tors. theta energy: -91.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -946.255395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.255395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.255395 (E_RNA)
where:
Base-Base interactions energy: -659.641
where: short stacking energy: -281.507
Base-Backbone interact. energy: 1.758
local terms energy: -288.372004
where:
bonds (distance) C4'-P energy: -44.609
bonds (distance) P-C4' energy: -56.331
flat angles C4'-P-C4' energy: -62.039
flat angles P-C4'-P energy: -42.699
tors. eta vs tors. theta energy: -82.693
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: 475
Temperature: 1.000000
Total energy: -915.129129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.129129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.129129 (E_RNA)
where:
Base-Base interactions energy: -630.891
where: short stacking energy: -272.272
Base-Backbone interact. energy: -1.097
local terms energy: -283.140894
where:
bonds (distance) C4'-P energy: -52.031
bonds (distance) P-C4' energy: -50.796
flat angles C4'-P-C4' energy: -56.598
flat angles P-C4'-P energy: -44.772
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: 3
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -834.204092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.204092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.204092 (E_RNA)
where:
Base-Base interactions energy: -575.987
where: short stacking energy: -242.000
Base-Backbone interact. energy: -0.817
local terms energy: -257.399665
where:
bonds (distance) C4'-P energy: -46.361
bonds (distance) P-C4' energy: -47.519
flat angles C4'-P-C4' energy: -54.599
flat angles P-C4'-P energy: -38.506
tors. eta vs tors. theta energy: -70.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -834.926759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.926759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.926759 (E_RNA)
where:
Base-Base interactions energy: -568.122
where: short stacking energy: -246.756
Base-Backbone interact. energy: -1.584
local terms energy: -265.220869
where:
bonds (distance) C4'-P energy: -53.783
bonds (distance) P-C4' energy: -49.434
flat angles C4'-P-C4' energy: -50.586
flat angles P-C4'-P energy: -39.895
tors. eta vs tors. theta energy: -71.522
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: 2
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -818.676805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.676805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.676805 (E_RNA)
where:
Base-Base interactions energy: -568.311
where: short stacking energy: -238.133
Base-Backbone interact. energy: 2.085
local terms energy: -252.451402
where:
bonds (distance) C4'-P energy: -41.906
bonds (distance) P-C4' energy: -50.041
flat angles C4'-P-C4' energy: -48.952
flat angles P-C4'-P energy: -44.668
tors. eta vs tors. theta energy: -66.884
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: 1
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -771.032512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.032512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.032512 (E_RNA)
where:
Base-Base interactions energy: -539.689
where: short stacking energy: -233.415
Base-Backbone interact. energy: 3.778
local terms energy: -235.121263
where:
bonds (distance) C4'-P energy: -45.759
bonds (distance) P-C4' energy: -50.392
flat angles C4'-P-C4' energy: -43.828
flat angles P-C4'-P energy: -32.130
tors. eta vs tors. theta energy: -63.012
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: 8, replica: 6
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -785.303637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.303637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.303637 (E_RNA)
where:
Base-Base interactions energy: -555.902
where: short stacking energy: -240.207
Base-Backbone interact. energy: 2.065
local terms energy: -231.466644
where:
bonds (distance) C4'-P energy: -49.781
bonds (distance) P-C4' energy: -44.389
flat angles C4'-P-C4' energy: -49.201
flat angles P-C4'-P energy: -27.540
tors. eta vs tors. theta energy: -60.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -482.254057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.254057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.254057 (E_RNA)
where:
Base-Base interactions energy: -298.350
where: short stacking energy: -146.005
Base-Backbone interact. energy: 0.025
local terms energy: -183.929088
where:
bonds (distance) C4'-P energy: -38.845
bonds (distance) P-C4' energy: -45.404
flat angles C4'-P-C4' energy: -40.136
flat angles P-C4'-P energy: -28.421
tors. eta vs tors. theta energy: -31.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -292.557839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.557839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.557839 (E_RNA)
where:
Base-Base interactions energy: -142.745
where: short stacking energy: -80.620
Base-Backbone interact. energy: 2.645
local terms energy: -152.457867
where:
bonds (distance) C4'-P energy: -42.381
bonds (distance) P-C4' energy: -48.458
flat angles C4'-P-C4' energy: -34.191
flat angles P-C4'-P energy: -24.654
tors. eta vs tors. theta energy: -2.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -961.218780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.218780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.218780 (E_RNA)
where:
Base-Base interactions energy: -660.314
where: short stacking energy: -294.297
Base-Backbone interact. energy: -1.098
local terms energy: -299.806277
where:
bonds (distance) C4'-P energy: -54.565
bonds (distance) P-C4' energy: -51.678
flat angles C4'-P-C4' energy: -59.514
flat angles P-C4'-P energy: -48.058
tors. eta vs tors. theta energy: -85.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -938.977282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.977282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.977282 (E_RNA)
where:
Base-Base interactions energy: -638.848
where: short stacking energy: -276.435
Base-Backbone interact. energy: -0.926
local terms energy: -299.202528
where:
bonds (distance) C4'-P energy: -54.728
bonds (distance) P-C4' energy: -52.146
flat angles C4'-P-C4' energy: -62.962
flat angles P-C4'-P energy: -45.734
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: 5
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -905.912273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.912273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.912273 (E_RNA)
where:
Base-Base interactions energy: -641.598
where: short stacking energy: -262.619
Base-Backbone interact. energy: 0.971
local terms energy: -265.285461
where:
bonds (distance) C4'-P energy: -46.482
bonds (distance) P-C4' energy: -46.191
flat angles C4'-P-C4' energy: -57.664
flat angles P-C4'-P energy: -33.287
tors. eta vs tors. theta energy: -81.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -840.271837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.271837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.271837 (E_RNA)
where:
Base-Base interactions energy: -578.069
where: short stacking energy: -229.420
Base-Backbone interact. energy: -1.700
local terms energy: -260.503548
where:
bonds (distance) C4'-P energy: -54.351
bonds (distance) P-C4' energy: -52.135
flat angles C4'-P-C4' energy: -51.839
flat angles P-C4'-P energy: -33.720
tors. eta vs tors. theta energy: -68.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -870.673870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.673870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.673870 (E_RNA)
where:
Base-Base interactions energy: -602.500
where: short stacking energy: -271.081
Base-Backbone interact. energy: -0.487
local terms energy: -267.687010
where:
bonds (distance) C4'-P energy: -43.389
bonds (distance) P-C4' energy: -52.875
flat angles C4'-P-C4' energy: -58.264
flat angles P-C4'-P energy: -36.858
tors. eta vs tors. theta energy: -76.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -807.220274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.220274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.220274 (E_RNA)
where:
Base-Base interactions energy: -551.206
where: short stacking energy: -232.790
Base-Backbone interact. energy: 0.115
local terms energy: -256.129538
where:
bonds (distance) C4'-P energy: -46.131
bonds (distance) P-C4' energy: -51.372
flat angles C4'-P-C4' energy: -57.997
flat angles P-C4'-P energy: -34.317
tors. eta vs tors. theta energy: -66.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -752.800130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.800130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.800130 (E_RNA)
where:
Base-Base interactions energy: -528.116
where: short stacking energy: -217.172
Base-Backbone interact. energy: 0.124
local terms energy: -224.807547
where:
bonds (distance) C4'-P energy: -42.312
bonds (distance) P-C4' energy: -41.114
flat angles C4'-P-C4' energy: -54.692
flat angles P-C4'-P energy: -29.296
tors. eta vs tors. theta energy: -57.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -760.645429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.645429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.645429 (E_RNA)
where:
Base-Base interactions energy: -526.069
where: short stacking energy: -230.468
Base-Backbone interact. energy: 0.297
local terms energy: -234.873267
where:
bonds (distance) C4'-P energy: -38.642
bonds (distance) P-C4' energy: -47.346
flat angles C4'-P-C4' energy: -49.336
flat angles P-C4'-P energy: -27.497
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: 9, replica: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -532.461812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.461812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.461812 (E_RNA)
where:
Base-Base interactions energy: -323.211
where: short stacking energy: -151.348
Base-Backbone interact. energy: -1.230
local terms energy: -208.021081
where:
bonds (distance) C4'-P energy: -49.572
bonds (distance) P-C4' energy: -50.900
flat angles C4'-P-C4' energy: -45.565
flat angles P-C4'-P energy: -29.470
tors. eta vs tors. theta energy: -32.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -317.534465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.534465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.534465 (E_RNA)
where:
Base-Base interactions energy: -161.215
where: short stacking energy: -88.185
Base-Backbone interact. energy: 0.473
local terms energy: -156.792562
where:
bonds (distance) C4'-P energy: -44.170
bonds (distance) P-C4' energy: -43.643
flat angles C4'-P-C4' energy: -37.850
flat angles P-C4'-P energy: -19.203
tors. eta vs tors. theta energy: -11.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -972.199683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.199683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.199683 (E_RNA)
where:
Base-Base interactions energy: -669.802
where: short stacking energy: -290.349
Base-Backbone interact. energy: -1.141
local terms energy: -301.256449
where:
bonds (distance) C4'-P energy: -50.749
bonds (distance) P-C4' energy: -54.346
flat angles C4'-P-C4' energy: -60.382
flat angles P-C4'-P energy: -47.229
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: 2, replica: 9
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -942.369610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.369610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.369610 (E_RNA)
where:
Base-Base interactions energy: -649.308
where: short stacking energy: -286.356
Base-Backbone interact. energy: -1.474
local terms energy: -291.587257
where:
bonds (distance) C4'-P energy: -49.465
bonds (distance) P-C4' energy: -53.557
flat angles C4'-P-C4' energy: -61.835
flat angles P-C4'-P energy: -39.361
tors. eta vs tors. theta energy: -87.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -925.673280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.673280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.673280 (E_RNA)
where:
Base-Base interactions energy: -644.391
where: short stacking energy: -268.055
Base-Backbone interact. energy: -1.094
local terms energy: -280.188311
where:
bonds (distance) C4'-P energy: -48.415
bonds (distance) P-C4' energy: -45.497
flat angles C4'-P-C4' energy: -61.438
flat angles P-C4'-P energy: -44.904
tors. eta vs tors. theta energy: -79.934
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: 7
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -879.547689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.547689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.547689 (E_RNA)
where:
Base-Base interactions energy: -594.069
where: short stacking energy: -260.388
Base-Backbone interact. energy: -2.037
local terms energy: -283.441327
where:
bonds (distance) C4'-P energy: -51.614
bonds (distance) P-C4' energy: -54.298
flat angles C4'-P-C4' energy: -54.340
flat angles P-C4'-P energy: -45.943
tors. eta vs tors. theta energy: -77.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -858.250832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.250832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.250832 (E_RNA)
where:
Base-Base interactions energy: -603.696
where: short stacking energy: -248.007
Base-Backbone interact. energy: -1.647
local terms energy: -252.907662
where:
bonds (distance) C4'-P energy: -38.245
bonds (distance) P-C4' energy: -47.681
flat angles C4'-P-C4' energy: -55.153
flat angles P-C4'-P energy: -33.678
tors. eta vs tors. theta energy: -78.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -785.805463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.805463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.805463 (E_RNA)
where:
Base-Base interactions energy: -546.398
where: short stacking energy: -218.300
Base-Backbone interact. energy: -1.258
local terms energy: -238.148962
where:
bonds (distance) C4'-P energy: -39.811
bonds (distance) P-C4' energy: -39.671
flat angles C4'-P-C4' energy: -56.958
flat angles P-C4'-P energy: -33.176
tors. eta vs tors. theta energy: -68.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -783.697193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.697193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.697193 (E_RNA)
where:
Base-Base interactions energy: -558.020
where: short stacking energy: -233.807
Base-Backbone interact. energy: 0.594
local terms energy: -226.270842
where:
bonds (distance) C4'-P energy: -38.299
bonds (distance) P-C4' energy: -44.306
flat angles C4'-P-C4' energy: -41.844
flat angles P-C4'-P energy: -37.171
tors. eta vs tors. theta energy: -64.652
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: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -734.324665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.324665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.324665 (E_RNA)
where:
Base-Base interactions energy: -504.717
where: short stacking energy: -210.420
Base-Backbone interact. energy: -0.551
local terms energy: -229.056471
where:
bonds (distance) C4'-P energy: -37.764
bonds (distance) P-C4' energy: -47.365
flat angles C4'-P-C4' energy: -55.519
flat angles P-C4'-P energy: -27.345
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: 9, replica: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -482.967538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.967538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.967538 (E_RNA)
where:
Base-Base interactions energy: -303.203
where: short stacking energy: -138.363
Base-Backbone interact. energy: 0.993
local terms energy: -180.757490
where:
bonds (distance) C4'-P energy: -46.619
bonds (distance) P-C4' energy: -36.231
flat angles C4'-P-C4' energy: -44.992
flat angles P-C4'-P energy: -34.468
tors. eta vs tors. theta energy: -18.447
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: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -324.171370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.171370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.171370 (E_RNA)
where:
Base-Base interactions energy: -167.957
where: short stacking energy: -96.634
Base-Backbone interact. energy: 1.575
local terms energy: -157.789594
where:
bonds (distance) C4'-P energy: -45.724
bonds (distance) P-C4' energy: -37.295
flat angles C4'-P-C4' energy: -35.805
flat angles P-C4'-P energy: -34.509
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -986.959543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.959543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.959543 (E_RNA)
where:
Base-Base interactions energy: -686.126
where: short stacking energy: -295.912
Base-Backbone interact. energy: -1.752
local terms energy: -299.081573
where:
bonds (distance) C4'-P energy: -56.862
bonds (distance) P-C4' energy: -53.534
flat angles C4'-P-C4' energy: -54.316
flat angles P-C4'-P energy: -47.491
tors. eta vs tors. theta energy: -86.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -943.547841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.547841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.547841 (E_RNA)
where:
Base-Base interactions energy: -652.801
where: short stacking energy: -283.115
Base-Backbone interact. energy: -1.004
local terms energy: -289.742963
where:
bonds (distance) C4'-P energy: -49.783
bonds (distance) P-C4' energy: -51.930
flat angles C4'-P-C4' energy: -61.432
flat angles P-C4'-P energy: -43.569
tors. eta vs tors. theta energy: -83.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -931.242415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.242415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.242415 (E_RNA)
where:
Base-Base interactions energy: -645.767
where: short stacking energy: -270.560
Base-Backbone interact. energy: -1.632
local terms energy: -283.842828
where:
bonds (distance) C4'-P energy: -52.001
bonds (distance) P-C4' energy: -53.333
flat angles C4'-P-C4' energy: -59.127
flat angles P-C4'-P energy: -36.045
tors. eta vs tors. theta energy: -83.337
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: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -867.364439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.364439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.364439 (E_RNA)
where:
Base-Base interactions energy: -595.988
where: short stacking energy: -250.859
Base-Backbone interact. energy: -0.679
local terms energy: -270.697330
where:
bonds (distance) C4'-P energy: -53.137
bonds (distance) P-C4' energy: -52.605
flat angles C4'-P-C4' energy: -53.844
flat angles P-C4'-P energy: -37.462
tors. eta vs tors. theta energy: -73.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -842.828534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.828534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.828534 (E_RNA)
where:
Base-Base interactions energy: -576.924
where: short stacking energy: -231.074
Base-Backbone interact. energy: -1.179
local terms energy: -264.725983
where:
bonds (distance) C4'-P energy: -49.217
bonds (distance) P-C4' energy: -48.807
flat angles C4'-P-C4' energy: -56.062
flat angles P-C4'-P energy: -37.580
tors. eta vs tors. theta energy: -73.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -805.550504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.550504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.550504 (E_RNA)
where:
Base-Base interactions energy: -568.578
where: short stacking energy: -228.199
Base-Backbone interact. energy: 1.311
local terms energy: -238.283258
where:
bonds (distance) C4'-P energy: -43.662
bonds (distance) P-C4' energy: -45.731
flat angles C4'-P-C4' energy: -59.026
flat angles P-C4'-P energy: -28.902
tors. eta vs tors. theta energy: -60.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -778.310036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.310036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.310036 (E_RNA)
where:
Base-Base interactions energy: -529.851
where: short stacking energy: -227.121
Base-Backbone interact. energy: -0.259
local terms energy: -248.200239
where:
bonds (distance) C4'-P energy: -43.286
bonds (distance) P-C4' energy: -49.906
flat angles C4'-P-C4' energy: -48.517
flat angles P-C4'-P energy: -45.937
tors. eta vs tors. theta energy: -60.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -684.531129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.531129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.531129 (E_RNA)
where:
Base-Base interactions energy: -449.586
where: short stacking energy: -208.506
Base-Backbone interact. energy: -0.032
local terms energy: -234.913623
where:
bonds (distance) C4'-P energy: -49.842
bonds (distance) P-C4' energy: -49.337
flat angles C4'-P-C4' energy: -48.948
flat angles P-C4'-P energy: -34.022
tors. eta vs tors. theta energy: -52.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -463.372402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.372402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.372402 (E_RNA)
where:
Base-Base interactions energy: -291.630
where: short stacking energy: -146.750
Base-Backbone interact. energy: -0.115
local terms energy: -171.627016
where:
bonds (distance) C4'-P energy: -33.274
bonds (distance) P-C4' energy: -47.934
flat angles C4'-P-C4' energy: -41.860
flat angles P-C4'-P energy: -27.357
tors. eta vs tors. theta energy: -21.202
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: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -348.521806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.521806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.521806 (E_RNA)
where:
Base-Base interactions energy: -174.208
where: short stacking energy: -96.894
Base-Backbone interact. energy: -0.888
local terms energy: -173.425772
where:
bonds (distance) C4'-P energy: -43.212
bonds (distance) P-C4' energy: -42.000
flat angles C4'-P-C4' energy: -36.054
flat angles P-C4'-P energy: -37.831
tors. eta vs tors. theta energy: -14.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -977.228712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.228712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.228712 (E_RNA)
where:
Base-Base interactions energy: -678.032
where: short stacking energy: -296.938
Base-Backbone interact. energy: -0.701
local terms energy: -298.495985
where:
bonds (distance) C4'-P energy: -52.590
bonds (distance) P-C4' energy: -55.981
flat angles C4'-P-C4' energy: -62.211
flat angles P-C4'-P energy: -38.185
tors. eta vs tors. theta energy: -89.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -938.980187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.980187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.980187 (E_RNA)
where:
Base-Base interactions energy: -662.727
where: short stacking energy: -284.564
Base-Backbone interact. energy: -0.254
local terms energy: -275.999607
where:
bonds (distance) C4'-P energy: -49.431
bonds (distance) P-C4' energy: -50.766
flat angles C4'-P-C4' energy: -50.541
flat angles P-C4'-P energy: -40.494
tors. eta vs tors. theta energy: -84.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -938.471717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.471717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.471717 (E_RNA)
where:
Base-Base interactions energy: -643.241
where: short stacking energy: -288.840
Base-Backbone interact. energy: -1.665
local terms energy: -293.565856
where:
bonds (distance) C4'-P energy: -46.346
bonds (distance) P-C4' energy: -58.079
flat angles C4'-P-C4' energy: -56.835
flat angles P-C4'-P energy: -45.722
tors. eta vs tors. theta energy: -86.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -868.920180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.920180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.920180 (E_RNA)
where:
Base-Base interactions energy: -606.549
where: short stacking energy: -256.055
Base-Backbone interact. energy: 1.168
local terms energy: -263.538834
where:
bonds (distance) C4'-P energy: -52.397
bonds (distance) P-C4' energy: -48.247
flat angles C4'-P-C4' energy: -60.015
flat angles P-C4'-P energy: -32.761
tors. eta vs tors. theta energy: -70.118
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: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -836.315561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.315561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.315561 (E_RNA)
where:
Base-Base interactions energy: -563.434
where: short stacking energy: -245.492
Base-Backbone interact. energy: -0.753
local terms energy: -272.128180
where:
bonds (distance) C4'-P energy: -49.624
bonds (distance) P-C4' energy: -58.857
flat angles C4'-P-C4' energy: -57.212
flat angles P-C4'-P energy: -32.767
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: 6, replica: 1
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -781.026063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.026063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.026063 (E_RNA)
where:
Base-Base interactions energy: -543.485
where: short stacking energy: -241.858
Base-Backbone interact. energy: -0.540
local terms energy: -237.000950
where:
bonds (distance) C4'-P energy: -46.138
bonds (distance) P-C4' energy: -47.557
flat angles C4'-P-C4' energy: -55.703
flat angles P-C4'-P energy: -23.394
tors. eta vs tors. theta energy: -64.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -798.845084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.845084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.845084 (E_RNA)
where:
Base-Base interactions energy: -536.893
where: short stacking energy: -235.297
Base-Backbone interact. energy: -0.966
local terms energy: -260.987007
where:
bonds (distance) C4'-P energy: -46.153
bonds (distance) P-C4' energy: -53.646
flat angles C4'-P-C4' energy: -50.586
flat angles P-C4'-P energy: -38.210
tors. eta vs tors. theta energy: -72.393
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: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -718.360835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.360835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.360835 (E_RNA)
where:
Base-Base interactions energy: -481.425
where: short stacking energy: -196.120
Base-Backbone interact. energy: -0.281
local terms energy: -236.654372
where:
bonds (distance) C4'-P energy: -46.619
bonds (distance) P-C4' energy: -47.504
flat angles C4'-P-C4' energy: -47.840
flat angles P-C4'-P energy: -38.715
tors. eta vs tors. theta energy: -55.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -501.031048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.031048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.031048 (E_RNA)
where:
Base-Base interactions energy: -293.791
where: short stacking energy: -138.350
Base-Backbone interact. energy: -0.851
local terms energy: -206.389929
where:
bonds (distance) C4'-P energy: -49.463
bonds (distance) P-C4' energy: -39.307
flat angles C4'-P-C4' energy: -53.763
flat angles P-C4'-P energy: -33.682
tors. eta vs tors. theta energy: -30.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -325.445330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.445330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.445330 (E_RNA)
where:
Base-Base interactions energy: -172.713
where: short stacking energy: -105.931
Base-Backbone interact. energy: -0.659
local terms energy: -152.073787
where:
bonds (distance) C4'-P energy: -32.963
bonds (distance) P-C4' energy: -44.367
flat angles C4'-P-C4' energy: -38.455
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -21.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -969.972062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.972062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.972062 (E_RNA)
where:
Base-Base interactions energy: -686.639
where: short stacking energy: -292.215
Base-Backbone interact. energy: -0.444
local terms energy: -282.888753
where:
bonds (distance) C4'-P energy: -50.194
bonds (distance) P-C4' energy: -47.922
flat angles C4'-P-C4' energy: -58.791
flat angles P-C4'-P energy: -37.899
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: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -957.045410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.045410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.045410 (E_RNA)
where:
Base-Base interactions energy: -673.947
where: short stacking energy: -283.360
Base-Backbone interact. energy: -0.847
local terms energy: -282.250825
where:
bonds (distance) C4'-P energy: -51.625
bonds (distance) P-C4' energy: -46.876
flat angles C4'-P-C4' energy: -60.541
flat angles P-C4'-P energy: -48.253
tors. eta vs tors. theta energy: -74.956
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: 5
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -934.897150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.897150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.897150 (E_RNA)
where:
Base-Base interactions energy: -648.950
where: short stacking energy: -272.840
Base-Backbone interact. energy: 0.692
local terms energy: -286.638608
where:
bonds (distance) C4'-P energy: -49.384
bonds (distance) P-C4' energy: -50.802
flat angles C4'-P-C4' energy: -61.747
flat angles P-C4'-P energy: -41.831
tors. eta vs tors. theta energy: -82.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -870.109746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.109746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.109746 (E_RNA)
where:
Base-Base interactions energy: -599.474
where: short stacking energy: -242.514
Base-Backbone interact. energy: -0.168
local terms energy: -270.467390
where:
bonds (distance) C4'-P energy: -51.070
bonds (distance) P-C4' energy: -50.754
flat angles C4'-P-C4' energy: -61.702
flat angles P-C4'-P energy: -34.477
tors. eta vs tors. theta energy: -72.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -850.962366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.962366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.962366 (E_RNA)
where:
Base-Base interactions energy: -585.036
where: short stacking energy: -246.782
Base-Backbone interact. energy: -0.360
local terms energy: -265.565629
where:
bonds (distance) C4'-P energy: -48.089
bonds (distance) P-C4' energy: -46.886
flat angles C4'-P-C4' energy: -57.080
flat angles P-C4'-P energy: -40.456
tors. eta vs tors. theta energy: -73.053
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: 1
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -804.788867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.788867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.788867 (E_RNA)
where:
Base-Base interactions energy: -552.544
where: short stacking energy: -229.897
Base-Backbone interact. energy: -1.055
local terms energy: -251.189943
where:
bonds (distance) C4'-P energy: -45.284
bonds (distance) P-C4' energy: -43.880
flat angles C4'-P-C4' energy: -56.458
flat angles P-C4'-P energy: -37.469
tors. eta vs tors. theta energy: -68.099
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: 2
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -802.138891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.138891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.138891 (E_RNA)
where:
Base-Base interactions energy: -547.457
where: short stacking energy: -238.606
Base-Backbone interact. energy: -0.506
local terms energy: -254.176107
where:
bonds (distance) C4'-P energy: -41.431
bonds (distance) P-C4' energy: -53.622
flat angles C4'-P-C4' energy: -52.004
flat angles P-C4'-P energy: -38.966
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: 8, replica: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -711.170092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.170092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.170092 (E_RNA)
where:
Base-Base interactions energy: -498.436
where: short stacking energy: -202.101
Base-Backbone interact. energy: -0.440
local terms energy: -212.293588
where:
bonds (distance) C4'-P energy: -34.784
bonds (distance) P-C4' energy: -42.270
flat angles C4'-P-C4' energy: -50.439
flat angles P-C4'-P energy: -32.711
tors. eta vs tors. theta energy: -52.090
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: 10
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -486.606513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.606513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.606513 (E_RNA)
where:
Base-Base interactions energy: -308.908
where: short stacking energy: -135.095
Base-Backbone interact. energy: -1.610
local terms energy: -176.088015
where:
bonds (distance) C4'-P energy: -41.237
bonds (distance) P-C4' energy: -40.245
flat angles C4'-P-C4' energy: -40.702
flat angles P-C4'-P energy: -28.056
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: 10, replica: 8
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -339.167410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.167410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.167410 (E_RNA)
where:
Base-Base interactions energy: -165.159
where: short stacking energy: -112.043
Base-Backbone interact. energy: -1.900
local terms energy: -172.107956
where:
bonds (distance) C4'-P energy: -37.067
bonds (distance) P-C4' energy: -50.226
flat angles C4'-P-C4' energy: -40.447
flat angles P-C4'-P energy: -27.268
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -971.130880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.130880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.130880 (E_RNA)
where:
Base-Base interactions energy: -675.586
where: short stacking energy: -278.802
Base-Backbone interact. energy: -0.310
local terms energy: -295.235195
where:
bonds (distance) C4'-P energy: -52.912
bonds (distance) P-C4' energy: -54.812
flat angles C4'-P-C4' energy: -61.779
flat angles P-C4'-P energy: -41.777
tors. eta vs tors. theta energy: -83.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -978.549870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.549870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.549870 (E_RNA)
where:
Base-Base interactions energy: -664.853
where: short stacking energy: -294.139
Base-Backbone interact. energy: -0.966
local terms energy: -312.731253
where:
bonds (distance) C4'-P energy: -55.175
bonds (distance) P-C4' energy: -54.658
flat angles C4'-P-C4' energy: -66.209
flat angles P-C4'-P energy: -48.088
tors. eta vs tors. theta energy: -88.602
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: 3, replica: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -936.080929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.080929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.080929 (E_RNA)
where:
Base-Base interactions energy: -639.669
where: short stacking energy: -282.921
Base-Backbone interact. energy: 1.099
local terms energy: -297.511403
where:
bonds (distance) C4'-P energy: -58.000
bonds (distance) P-C4' energy: -55.729
flat angles C4'-P-C4' energy: -54.689
flat angles P-C4'-P energy: -49.929
tors. eta vs tors. theta energy: -79.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -846.692054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.692054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.692054 (E_RNA)
where:
Base-Base interactions energy: -581.447
where: short stacking energy: -236.987
Base-Backbone interact. energy: 1.717
local terms energy: -266.961625
where:
bonds (distance) C4'-P energy: -47.475
bonds (distance) P-C4' energy: -55.318
flat angles C4'-P-C4' energy: -56.127
flat angles P-C4'-P energy: -40.932
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: 5, replica: 7
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -829.728750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.728750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.728750 (E_RNA)
where:
Base-Base interactions energy: -587.475
where: short stacking energy: -246.739
Base-Backbone interact. energy: 0.785
local terms energy: -243.038520
where:
bonds (distance) C4'-P energy: -44.788
bonds (distance) P-C4' energy: -41.354
flat angles C4'-P-C4' energy: -60.900
flat angles P-C4'-P energy: -28.843
tors. eta vs tors. theta energy: -67.154
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: 2
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -787.323171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.323171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.323171 (E_RNA)
where:
Base-Base interactions energy: -549.005
where: short stacking energy: -249.066
Base-Backbone interact. energy: -0.846
local terms energy: -237.472478
where:
bonds (distance) C4'-P energy: -50.237
bonds (distance) P-C4' energy: -36.477
flat angles C4'-P-C4' energy: -46.741
flat angles P-C4'-P energy: -34.786
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: 7, replica: 1
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -787.287090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.287090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.287090 (E_RNA)
where:
Base-Base interactions energy: -544.718
where: short stacking energy: -232.346
Base-Backbone interact. energy: -1.278
local terms energy: -241.291889
where:
bonds (distance) C4'-P energy: -50.427
bonds (distance) P-C4' energy: -53.483
flat angles C4'-P-C4' energy: -47.177
flat angles P-C4'-P energy: -26.248
tors. eta vs tors. theta energy: -63.958
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: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -716.830196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.830196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.830196 (E_RNA)
where:
Base-Base interactions energy: -490.676
where: short stacking energy: -199.518
Base-Backbone interact. energy: -0.521
local terms energy: -225.633436
where:
bonds (distance) C4'-P energy: -42.552
bonds (distance) P-C4' energy: -36.253
flat angles C4'-P-C4' energy: -62.410
flat angles P-C4'-P energy: -35.089
tors. eta vs tors. theta energy: -49.330
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: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -472.805371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.805371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.805371 (E_RNA)
where:
Base-Base interactions energy: -283.034
where: short stacking energy: -125.568
Base-Backbone interact. energy: 1.424
local terms energy: -191.195768
where:
bonds (distance) C4'-P energy: -51.752
bonds (distance) P-C4' energy: -42.438
flat angles C4'-P-C4' energy: -43.962
flat angles P-C4'-P energy: -32.530
tors. eta vs tors. theta energy: -20.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -321.174575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.174575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.174575 (E_RNA)
where:
Base-Base interactions energy: -158.203
where: short stacking energy: -93.364
Base-Backbone interact. energy: 1.813
local terms energy: -164.784805
where:
bonds (distance) C4'-P energy: -42.757
bonds (distance) P-C4' energy: -46.173
flat angles C4'-P-C4' energy: -34.729
flat angles P-C4'-P energy: -25.032
tors. eta vs tors. theta energy: -16.094
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: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -960.434215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.434215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.434215 (E_RNA)
where:
Base-Base interactions energy: -672.399
where: short stacking energy: -299.195
Base-Backbone interact. energy: 0.209
local terms energy: -288.243852
where:
bonds (distance) C4'-P energy: -50.978
bonds (distance) P-C4' energy: -46.783
flat angles C4'-P-C4' energy: -58.075
flat angles P-C4'-P energy: -44.732
tors. eta vs tors. theta energy: -87.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -956.488976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.488976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.488976 (E_RNA)
where:
Base-Base interactions energy: -668.787
where: short stacking energy: -287.278
Base-Backbone interact. energy: -1.210
local terms energy: -286.492660
where:
bonds (distance) C4'-P energy: -52.015
bonds (distance) P-C4' energy: -50.516
flat angles C4'-P-C4' energy: -62.184
flat angles P-C4'-P energy: -40.357
tors. eta vs tors. theta energy: -81.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -920.600914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.600914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.600914 (E_RNA)
where:
Base-Base interactions energy: -639.715
where: short stacking energy: -255.168
Base-Backbone interact. energy: 0.700
local terms energy: -281.585061
where:
bonds (distance) C4'-P energy: -52.215
bonds (distance) P-C4' energy: -53.319
flat angles C4'-P-C4' energy: -58.467
flat angles P-C4'-P energy: -34.702
tors. eta vs tors. theta energy: -82.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -845.080141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.080141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.080141 (E_RNA)
where:
Base-Base interactions energy: -588.490
where: short stacking energy: -252.234
Base-Backbone interact. energy: -2.004
local terms energy: -254.586524
where:
bonds (distance) C4'-P energy: -51.861
bonds (distance) P-C4' energy: -46.348
flat angles C4'-P-C4' energy: -51.380
flat angles P-C4'-P energy: -39.243
tors. eta vs tors. theta energy: -65.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -840.754481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.754481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.754481 (E_RNA)
where:
Base-Base interactions energy: -566.828
where: short stacking energy: -246.063
Base-Backbone interact. energy: -0.918
local terms energy: -273.008359
where:
bonds (distance) C4'-P energy: -48.821
bonds (distance) P-C4' energy: -53.476
flat angles C4'-P-C4' energy: -56.967
flat angles P-C4'-P energy: -39.642
tors. eta vs tors. theta energy: -74.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -765.396462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.396462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.396462 (E_RNA)
where:
Base-Base interactions energy: -532.963
where: short stacking energy: -237.999
Base-Backbone interact. energy: -0.777
local terms energy: -231.656720
where:
bonds (distance) C4'-P energy: -39.511
bonds (distance) P-C4' energy: -40.973
flat angles C4'-P-C4' energy: -53.058
flat angles P-C4'-P energy: -35.785
tors. eta vs tors. theta energy: -62.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -757.729157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.729157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.729157 (E_RNA)
where:
Base-Base interactions energy: -530.082
where: short stacking energy: -219.373
Base-Backbone interact. energy: -0.673
local terms energy: -226.974525
where:
bonds (distance) C4'-P energy: -34.921
bonds (distance) P-C4' energy: -47.520
flat angles C4'-P-C4' energy: -53.414
flat angles P-C4'-P energy: -35.639
tors. eta vs tors. theta energy: -55.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -776.875862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.875862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.875862 (E_RNA)
where:
Base-Base interactions energy: -537.709
where: short stacking energy: -227.302
Base-Backbone interact. energy: -1.252
local terms energy: -237.915463
where:
bonds (distance) C4'-P energy: -45.611
bonds (distance) P-C4' energy: -44.951
flat angles C4'-P-C4' energy: -51.356
flat angles P-C4'-P energy: -34.890
tors. eta vs tors. theta energy: -61.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -487.127976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.127976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.127976 (E_RNA)
where:
Base-Base interactions energy: -287.071
where: short stacking energy: -134.371
Base-Backbone interact. energy: -1.205
local terms energy: -198.852419
where:
bonds (distance) C4'-P energy: -41.472
bonds (distance) P-C4' energy: -48.748
flat angles C4'-P-C4' energy: -52.674
flat angles P-C4'-P energy: -24.053
tors. eta vs tors. theta energy: -31.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -304.540103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.540103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.540103 (E_RNA)
where:
Base-Base interactions energy: -165.327
where: short stacking energy: -90.203
Base-Backbone interact. energy: 3.625
local terms energy: -142.837954
where:
bonds (distance) C4'-P energy: -37.155
bonds (distance) P-C4' energy: -53.574
flat angles C4'-P-C4' energy: -29.397
flat angles P-C4'-P energy: -20.016
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -960.391660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.391660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.391660 (E_RNA)
where:
Base-Base interactions energy: -675.567
where: short stacking energy: -295.649
Base-Backbone interact. energy: -0.213
local terms energy: -284.612025
where:
bonds (distance) C4'-P energy: -49.620
bonds (distance) P-C4' energy: -50.040
flat angles C4'-P-C4' energy: -55.657
flat angles P-C4'-P energy: -44.086
tors. eta vs tors. theta energy: -85.209
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: 2, replica: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -935.573149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.573149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.573149 (E_RNA)
where:
Base-Base interactions energy: -648.802
where: short stacking energy: -282.627
Base-Backbone interact. energy: -1.223
local terms energy: -285.547848
where:
bonds (distance) C4'-P energy: -53.859
bonds (distance) P-C4' energy: -57.311
flat angles C4'-P-C4' energy: -56.867
flat angles P-C4'-P energy: -35.351
tors. eta vs tors. theta energy: -82.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -931.190201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.190201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.190201 (E_RNA)
where:
Base-Base interactions energy: -659.824
where: short stacking energy: -284.846
Base-Backbone interact. energy: -1.148
local terms energy: -270.218337
where:
bonds (distance) C4'-P energy: -45.068
bonds (distance) P-C4' energy: -46.138
flat angles C4'-P-C4' energy: -56.669
flat angles P-C4'-P energy: -36.363
tors. eta vs tors. theta energy: -85.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -872.531847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.531847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.531847 (E_RNA)
where:
Base-Base interactions energy: -603.213
where: short stacking energy: -252.707
Base-Backbone interact. energy: -2.167
local terms energy: -267.152320
where:
bonds (distance) C4'-P energy: -45.706
bonds (distance) P-C4' energy: -56.376
flat angles C4'-P-C4' energy: -53.202
flat angles P-C4'-P energy: -36.854
tors. eta vs tors. theta energy: -75.015
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: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -842.795694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.795694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.795694 (E_RNA)
where:
Base-Base interactions energy: -579.498
where: short stacking energy: -256.285
Base-Backbone interact. energy: 1.695
local terms energy: -264.993572
where:
bonds (distance) C4'-P energy: -57.685
bonds (distance) P-C4' energy: -48.882
flat angles C4'-P-C4' energy: -50.825
flat angles P-C4'-P energy: -33.671
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: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -756.757181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.757181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.757181 (E_RNA)
where:
Base-Base interactions energy: -517.573
where: short stacking energy: -206.730
Base-Backbone interact. energy: -0.749
local terms energy: -238.435396
where:
bonds (distance) C4'-P energy: -44.407
bonds (distance) P-C4' energy: -51.020
flat angles C4'-P-C4' energy: -48.005
flat angles P-C4'-P energy: -35.247
tors. eta vs tors. theta energy: -59.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -773.649264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.649264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.649264 (E_RNA)
where:
Base-Base interactions energy: -521.177
where: short stacking energy: -212.155
Base-Backbone interact. energy: -0.427
local terms energy: -252.045433
where:
bonds (distance) C4'-P energy: -48.842
bonds (distance) P-C4' energy: -49.965
flat angles C4'-P-C4' energy: -58.679
flat angles P-C4'-P energy: -34.688
tors. eta vs tors. theta energy: -59.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -750.639296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.639296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.639296 (E_RNA)
where:
Base-Base interactions energy: -505.960
where: short stacking energy: -197.757
Base-Backbone interact. energy: 1.174
local terms energy: -245.853544
where:
bonds (distance) C4'-P energy: -55.956
bonds (distance) P-C4' energy: -47.772
flat angles C4'-P-C4' energy: -49.298
flat angles P-C4'-P energy: -40.569
tors. eta vs tors. theta energy: -52.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -471.272737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.272737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.272737 (E_RNA)
where:
Base-Base interactions energy: -289.242
where: short stacking energy: -123.583
Base-Backbone interact. energy: 0.121
local terms energy: -182.151745
where:
bonds (distance) C4'-P energy: -41.777
bonds (distance) P-C4' energy: -50.657
flat angles C4'-P-C4' energy: -47.679
flat angles P-C4'-P energy: -22.218
tors. eta vs tors. theta energy: -19.822
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: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -349.147993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.147993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.147993 (E_RNA)
where:
Base-Base interactions energy: -169.297
where: short stacking energy: -92.741
Base-Backbone interact. energy: -0.618
local terms energy: -179.232999
where:
bonds (distance) C4'-P energy: -43.801
bonds (distance) P-C4' energy: -49.805
flat angles C4'-P-C4' energy: -46.367
flat angles P-C4'-P energy: -29.397
tors. eta vs tors. theta energy: -9.862
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: 5
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -968.152101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.152101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.152101 (E_RNA)
where:
Base-Base interactions energy: -675.057
where: short stacking energy: -300.880
Base-Backbone interact. energy: -0.514
local terms energy: -292.581804
where:
bonds (distance) C4'-P energy: -52.075
bonds (distance) P-C4' energy: -50.906
flat angles C4'-P-C4' energy: -65.168
flat angles P-C4'-P energy: -34.825
tors. eta vs tors. theta energy: -89.608
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: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -948.669692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.669692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.669692 (E_RNA)
where:
Base-Base interactions energy: -655.649
where: short stacking energy: -280.283
Base-Backbone interact. energy: -1.277
local terms energy: -291.744223
where:
bonds (distance) C4'-P energy: -46.290
bonds (distance) P-C4' energy: -56.138
flat angles C4'-P-C4' energy: -59.965
flat angles P-C4'-P energy: -41.909
tors. eta vs tors. theta energy: -87.441
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: 9
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -926.429289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.429289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.429289 (E_RNA)
where:
Base-Base interactions energy: -637.152
where: short stacking energy: -280.199
Base-Backbone interact. energy: -0.931
local terms energy: -288.346252
where:
bonds (distance) C4'-P energy: -47.719
bonds (distance) P-C4' energy: -56.003
flat angles C4'-P-C4' energy: -55.511
flat angles P-C4'-P energy: -44.597
tors. eta vs tors. theta energy: -84.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -847.277754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.277754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.277754 (E_RNA)
where:
Base-Base interactions energy: -582.668
where: short stacking energy: -257.566
Base-Backbone interact. energy: -2.996
local terms energy: -261.613805
where:
bonds (distance) C4'-P energy: -36.979
bonds (distance) P-C4' energy: -51.764
flat angles C4'-P-C4' energy: -59.639
flat angles P-C4'-P energy: -39.114
tors. eta vs tors. theta energy: -74.118
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: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -802.899224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.899224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.899224 (E_RNA)
where:
Base-Base interactions energy: -551.186
where: short stacking energy: -247.616
Base-Backbone interact. energy: -0.432
local terms energy: -251.281127
where:
bonds (distance) C4'-P energy: -47.210
bonds (distance) P-C4' energy: -49.161
flat angles C4'-P-C4' energy: -52.942
flat angles P-C4'-P energy: -30.689
tors. eta vs tors. theta energy: -71.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -781.614482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.614482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.614482 (E_RNA)
where:
Base-Base interactions energy: -541.104
where: short stacking energy: -213.821
Base-Backbone interact. energy: -1.348
local terms energy: -239.162623
where:
bonds (distance) C4'-P energy: -37.522
bonds (distance) P-C4' energy: -53.939
flat angles C4'-P-C4' energy: -49.976
flat angles P-C4'-P energy: -39.133
tors. eta vs tors. theta energy: -58.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -776.562357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.562357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.562357 (E_RNA)
where:
Base-Base interactions energy: -534.068
where: short stacking energy: -219.632
Base-Backbone interact. energy: 1.859
local terms energy: -244.352844
where:
bonds (distance) C4'-P energy: -37.195
bonds (distance) P-C4' energy: -53.114
flat angles C4'-P-C4' energy: -56.534
flat angles P-C4'-P energy: -31.374
tors. eta vs tors. theta energy: -66.136
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: 2
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -733.594947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.594947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.594947 (E_RNA)
where:
Base-Base interactions energy: -519.874
where: short stacking energy: -222.324
Base-Backbone interact. energy: -0.345
local terms energy: -213.376242
where:
bonds (distance) C4'-P energy: -34.157
bonds (distance) P-C4' energy: -45.207
flat angles C4'-P-C4' energy: -44.282
flat angles P-C4'-P energy: -30.843
tors. eta vs tors. theta energy: -58.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -429.039773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.039773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.039773 (E_RNA)
where:
Base-Base interactions energy: -248.229
where: short stacking energy: -120.309
Base-Backbone interact. energy: -0.147
local terms energy: -180.663787
where:
bonds (distance) C4'-P energy: -39.613
bonds (distance) P-C4' energy: -44.617
flat angles C4'-P-C4' energy: -48.436
flat angles P-C4'-P energy: -21.208
tors. eta vs tors. theta energy: -26.789
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: 10, replica: 8
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -321.349206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.349206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.349206 (E_RNA)
where:
Base-Base interactions energy: -157.690
where: short stacking energy: -86.542
Base-Backbone interact. energy: -0.545
local terms energy: -163.114122
where:
bonds (distance) C4'-P energy: -47.292
bonds (distance) P-C4' energy: -48.064
flat angles C4'-P-C4' energy: -38.539
flat angles P-C4'-P energy: -26.702
tors. eta vs tors. theta energy: -2.517
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: 1, replica: 5
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -969.559270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.559270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.559270 (E_RNA)
where:
Base-Base interactions energy: -676.974
where: short stacking energy: -290.679
Base-Backbone interact. energy: -0.941
local terms energy: -291.644587
where:
bonds (distance) C4'-P energy: -52.378
bonds (distance) P-C4' energy: -45.721
flat angles C4'-P-C4' energy: -64.974
flat angles P-C4'-P energy: -37.136
tors. eta vs tors. theta energy: -91.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -947.648316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.648316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.648316 (E_RNA)
where:
Base-Base interactions energy: -660.080
where: short stacking energy: -291.354
Base-Backbone interact. energy: 2.949
local terms energy: -290.517473
where:
bonds (distance) C4'-P energy: -49.998
bonds (distance) P-C4' energy: -52.292
flat angles C4'-P-C4' energy: -55.934
flat angles P-C4'-P energy: -41.030
tors. eta vs tors. theta energy: -91.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -934.890124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.890124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.890124 (E_RNA)
where:
Base-Base interactions energy: -643.660
where: short stacking energy: -280.196
Base-Backbone interact. energy: -1.648
local terms energy: -289.581952
where:
bonds (distance) C4'-P energy: -46.986
bonds (distance) P-C4' energy: -52.534
flat angles C4'-P-C4' energy: -59.652
flat angles P-C4'-P energy: -44.602
tors. eta vs tors. theta energy: -85.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -848.116423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.116423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.116423 (E_RNA)
where:
Base-Base interactions energy: -571.898
where: short stacking energy: -245.667
Base-Backbone interact. energy: -1.662
local terms energy: -274.556923
where:
bonds (distance) C4'-P energy: -51.451
bonds (distance) P-C4' energy: -47.251
flat angles C4'-P-C4' energy: -60.669
flat angles P-C4'-P energy: -41.975
tors. eta vs tors. theta energy: -73.211
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: 485
Temperature: 1.100000
Total energy: -832.352960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.352960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.352960 (E_RNA)
where:
Base-Base interactions energy: -570.321
where: short stacking energy: -246.478
Base-Backbone interact. energy: -0.667
local terms energy: -261.365245
where:
bonds (distance) C4'-P energy: -45.861
bonds (distance) P-C4' energy: -53.474
flat angles C4'-P-C4' energy: -52.131
flat angles P-C4'-P energy: -45.240
tors. eta vs tors. theta energy: -64.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -798.626737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.626737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.626737 (E_RNA)
where:
Base-Base interactions energy: -556.544
where: short stacking energy: -240.700
Base-Backbone interact. energy: -0.447
local terms energy: -241.635270
where:
bonds (distance) C4'-P energy: -35.469
bonds (distance) P-C4' energy: -53.533
flat angles C4'-P-C4' energy: -53.581
flat angles P-C4'-P energy: -25.787
tors. eta vs tors. theta energy: -73.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -786.528406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.528406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.528406 (E_RNA)
where:
Base-Base interactions energy: -531.256
where: short stacking energy: -231.014
Base-Backbone interact. energy: 1.102
local terms energy: -256.374503
where:
bonds (distance) C4'-P energy: -44.841
bonds (distance) P-C4' energy: -58.612
flat angles C4'-P-C4' energy: -55.397
flat angles P-C4'-P energy: -26.667
tors. eta vs tors. theta energy: -70.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -763.141871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.141871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.141871 (E_RNA)
where:
Base-Base interactions energy: -545.812
where: short stacking energy: -225.205
Base-Backbone interact. energy: 0.507
local terms energy: -217.836932
where:
bonds (distance) C4'-P energy: -36.073
bonds (distance) P-C4' energy: -40.141
flat angles C4'-P-C4' energy: -52.895
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -69.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -473.350909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.350909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.350909 (E_RNA)
where:
Base-Base interactions energy: -274.885
where: short stacking energy: -114.163
Base-Backbone interact. energy: -0.889
local terms energy: -197.576775
where:
bonds (distance) C4'-P energy: -43.462
bonds (distance) P-C4' energy: -54.029
flat angles C4'-P-C4' energy: -52.074
flat angles P-C4'-P energy: -28.800
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -298.055642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.055642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.055642 (E_RNA)
where:
Base-Base interactions energy: -147.784
where: short stacking energy: -76.974
Base-Backbone interact. energy: -0.908
local terms energy: -149.363309
where:
bonds (distance) C4'-P energy: -42.287
bonds (distance) P-C4' energy: -46.811
flat angles C4'-P-C4' energy: -46.332
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -959.196769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.196769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.196769 (E_RNA)
where:
Base-Base interactions energy: -667.400
where: short stacking energy: -290.125
Base-Backbone interact. energy: -0.859
local terms energy: -290.937933
where:
bonds (distance) C4'-P energy: -50.140
bonds (distance) P-C4' energy: -49.620
flat angles C4'-P-C4' energy: -60.442
flat angles P-C4'-P energy: -47.004
tors. eta vs tors. theta energy: -83.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -947.643558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.643558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.643558 (E_RNA)
where:
Base-Base interactions energy: -653.174
where: short stacking energy: -281.692
Base-Backbone interact. energy: 0.050
local terms energy: -294.519423
where:
bonds (distance) C4'-P energy: -51.746
bonds (distance) P-C4' energy: -60.272
flat angles C4'-P-C4' energy: -56.974
flat angles P-C4'-P energy: -40.097
tors. eta vs tors. theta energy: -85.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -921.993646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.993646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.993646 (E_RNA)
where:
Base-Base interactions energy: -644.163
where: short stacking energy: -270.873
Base-Backbone interact. energy: -1.185
local terms energy: -276.645352
where:
bonds (distance) C4'-P energy: -51.081
bonds (distance) P-C4' energy: -52.472
flat angles C4'-P-C4' energy: -57.213
flat angles P-C4'-P energy: -34.911
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: 3
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -869.546886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.546886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.546886 (E_RNA)
where:
Base-Base interactions energy: -603.584
where: short stacking energy: -253.770
Base-Backbone interact. energy: -0.472
local terms energy: -265.490796
where:
bonds (distance) C4'-P energy: -45.463
bonds (distance) P-C4' energy: -51.160
flat angles C4'-P-C4' energy: -53.266
flat angles P-C4'-P energy: -39.747
tors. eta vs tors. theta energy: -75.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -821.613141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.613141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.613141 (E_RNA)
where:
Base-Base interactions energy: -564.399
where: short stacking energy: -235.611
Base-Backbone interact. energy: 0.553
local terms energy: -257.766668
where:
bonds (distance) C4'-P energy: -50.153
bonds (distance) P-C4' energy: -51.639
flat angles C4'-P-C4' energy: -48.376
flat angles P-C4'-P energy: -39.424
tors. eta vs tors. theta energy: -68.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -851.177043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.177043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.177043 (E_RNA)
where:
Base-Base interactions energy: -610.672
where: short stacking energy: -265.550
Base-Backbone interact. energy: 0.499
local terms energy: -241.004289
where:
bonds (distance) C4'-P energy: -37.808
bonds (distance) P-C4' energy: -49.037
flat angles C4'-P-C4' energy: -49.453
flat angles P-C4'-P energy: -30.610
tors. eta vs tors. theta energy: -74.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -800.510761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.510761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.510761 (E_RNA)
where:
Base-Base interactions energy: -567.542
where: short stacking energy: -232.597
Base-Backbone interact. energy: 2.223
local terms energy: -235.191028
where:
bonds (distance) C4'-P energy: -46.272
bonds (distance) P-C4' energy: -40.799
flat angles C4'-P-C4' energy: -49.960
flat angles P-C4'-P energy: -38.599
tors. eta vs tors. theta energy: -59.561
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: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -740.716477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.716477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.716477 (E_RNA)
where:
Base-Base interactions energy: -503.590
where: short stacking energy: -204.363
Base-Backbone interact. energy: -0.741
local terms energy: -236.385726
where:
bonds (distance) C4'-P energy: -42.699
bonds (distance) P-C4' energy: -49.078
flat angles C4'-P-C4' energy: -45.084
flat angles P-C4'-P energy: -41.728
tors. eta vs tors. theta energy: -57.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -481.394311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.394311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.394311 (E_RNA)
where:
Base-Base interactions energy: -291.098
where: short stacking energy: -128.443
Base-Backbone interact. energy: -0.238
local terms energy: -190.057531
where:
bonds (distance) C4'-P energy: -56.924
bonds (distance) P-C4' energy: -43.658
flat angles C4'-P-C4' energy: -41.607
flat angles P-C4'-P energy: -27.871
tors. eta vs tors. theta energy: -19.997
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: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -289.048005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.048005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.048005 (E_RNA)
where:
Base-Base interactions energy: -135.820
where: short stacking energy: -78.730
Base-Backbone interact. energy: 0.361
local terms energy: -153.589085
where:
bonds (distance) C4'-P energy: -49.324
bonds (distance) P-C4' energy: -50.590
flat angles C4'-P-C4' energy: -34.969
flat angles P-C4'-P energy: -18.898
tors. eta vs tors. theta energy: 0.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -961.094093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.094093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.094093 (E_RNA)
where:
Base-Base interactions energy: -686.780
where: short stacking energy: -282.606
Base-Backbone interact. energy: -0.222
local terms energy: -274.091748
where:
bonds (distance) C4'-P energy: -46.746
bonds (distance) P-C4' energy: -47.356
flat angles C4'-P-C4' energy: -58.974
flat angles P-C4'-P energy: -34.521
tors. eta vs tors. theta energy: -86.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -938.701127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.701127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.701127 (E_RNA)
where:
Base-Base interactions energy: -651.031
where: short stacking energy: -288.472
Base-Backbone interact. energy: -0.752
local terms energy: -286.918080
where:
bonds (distance) C4'-P energy: -46.626
bonds (distance) P-C4' energy: -49.665
flat angles C4'-P-C4' energy: -64.572
flat angles P-C4'-P energy: -41.510
tors. eta vs tors. theta energy: -84.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -922.810331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.810331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.810331 (E_RNA)
where:
Base-Base interactions energy: -650.504
where: short stacking energy: -289.802
Base-Backbone interact. energy: 0.298
local terms energy: -272.604607
where:
bonds (distance) C4'-P energy: -52.659
bonds (distance) P-C4' energy: -41.985
flat angles C4'-P-C4' energy: -56.821
flat angles P-C4'-P energy: -38.452
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: 4, replica: 6
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -832.129377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.129377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.129377 (E_RNA)
where:
Base-Base interactions energy: -576.110
where: short stacking energy: -259.210
Base-Backbone interact. energy: 0.254
local terms energy: -256.273159
where:
bonds (distance) C4'-P energy: -47.627
bonds (distance) P-C4' energy: -46.660
flat angles C4'-P-C4' energy: -52.978
flat angles P-C4'-P energy: -41.724
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: 3
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -863.294347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.294347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.294347 (E_RNA)
where:
Base-Base interactions energy: -597.996
where: short stacking energy: -260.370
Base-Backbone interact. energy: 0.004
local terms energy: -265.301456
where:
bonds (distance) C4'-P energy: -51.228
bonds (distance) P-C4' energy: -41.905
flat angles C4'-P-C4' energy: -53.088
flat angles P-C4'-P energy: -39.258
tors. eta vs tors. theta energy: -79.823
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: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -798.085110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.085110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.085110 (E_RNA)
where:
Base-Base interactions energy: -548.368
where: short stacking energy: -233.291
Base-Backbone interact. energy: -0.881
local terms energy: -248.836085
where:
bonds (distance) C4'-P energy: -42.225
bonds (distance) P-C4' energy: -52.053
flat angles C4'-P-C4' energy: -48.437
flat angles P-C4'-P energy: -34.854
tors. eta vs tors. theta energy: -71.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -807.802704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.802704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.802704 (E_RNA)
where:
Base-Base interactions energy: -564.832
where: short stacking energy: -243.513
Base-Backbone interact. energy: -0.647
local terms energy: -242.323808
where:
bonds (distance) C4'-P energy: -37.626
bonds (distance) P-C4' energy: -43.351
flat angles C4'-P-C4' energy: -45.249
flat angles P-C4'-P energy: -46.204
tors. eta vs tors. theta energy: -69.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -770.561659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.561659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.561659 (E_RNA)
where:
Base-Base interactions energy: -534.066
where: short stacking energy: -214.820
Base-Backbone interact. energy: 0.511
local terms energy: -237.006285
where:
bonds (distance) C4'-P energy: -52.561
bonds (distance) P-C4' energy: -44.078
flat angles C4'-P-C4' energy: -51.446
flat angles P-C4'-P energy: -26.040
tors. eta vs tors. theta energy: -62.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -488.182602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.182602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.182602 (E_RNA)
where:
Base-Base interactions energy: -316.801
where: short stacking energy: -135.593
Base-Backbone interact. energy: 0.236
local terms energy: -171.617532
where:
bonds (distance) C4'-P energy: -41.974
bonds (distance) P-C4' energy: -39.452
flat angles C4'-P-C4' energy: -35.674
flat angles P-C4'-P energy: -29.879
tors. eta vs tors. theta energy: -24.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -308.772171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.772171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.772171 (E_RNA)
where:
Base-Base interactions energy: -151.525
where: short stacking energy: -86.316
Base-Backbone interact. energy: -0.911
local terms energy: -156.336128
where:
bonds (distance) C4'-P energy: -43.476
bonds (distance) P-C4' energy: -47.058
flat angles C4'-P-C4' energy: -42.261
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -11.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -978.036259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.036259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.036259 (E_RNA)
where:
Base-Base interactions energy: -676.645
where: short stacking energy: -284.086
Base-Backbone interact. energy: -1.443
local terms energy: -299.948324
where:
bonds (distance) C4'-P energy: -47.078
bonds (distance) P-C4' energy: -56.751
flat angles C4'-P-C4' energy: -57.241
flat angles P-C4'-P energy: -47.501
tors. eta vs tors. theta energy: -91.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -957.196442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.196442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.196442 (E_RNA)
where:
Base-Base interactions energy: -668.227
where: short stacking energy: -278.454
Base-Backbone interact. energy: -1.740
local terms energy: -287.229083
where:
bonds (distance) C4'-P energy: -49.281
bonds (distance) P-C4' energy: -53.319
flat angles C4'-P-C4' energy: -62.457
flat angles P-C4'-P energy: -37.428
tors. eta vs tors. theta energy: -84.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -909.764682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.764682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.764682 (E_RNA)
where:
Base-Base interactions energy: -628.594
where: short stacking energy: -278.011
Base-Backbone interact. energy: -1.051
local terms energy: -280.119672
where:
bonds (distance) C4'-P energy: -40.311
bonds (distance) P-C4' energy: -50.978
flat angles C4'-P-C4' energy: -60.081
flat angles P-C4'-P energy: -43.127
tors. eta vs tors. theta energy: -85.622
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: 6
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -825.465690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.465690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.465690 (E_RNA)
where:
Base-Base interactions energy: -570.842
where: short stacking energy: -240.771
Base-Backbone interact. energy: -1.311
local terms energy: -253.312738
where:
bonds (distance) C4'-P energy: -51.277
bonds (distance) P-C4' energy: -53.733
flat angles C4'-P-C4' energy: -59.664
flat angles P-C4'-P energy: -21.029
tors. eta vs tors. theta energy: -67.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -833.836208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.836208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.836208 (E_RNA)
where:
Base-Base interactions energy: -579.380
where: short stacking energy: -237.002
Base-Backbone interact. energy: 0.548
local terms energy: -255.004587
where:
bonds (distance) C4'-P energy: -43.843
bonds (distance) P-C4' energy: -51.025
flat angles C4'-P-C4' energy: -52.194
flat angles P-C4'-P energy: -37.513
tors. eta vs tors. theta energy: -70.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -812.305193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.305193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.305193 (E_RNA)
where:
Base-Base interactions energy: -562.220
where: short stacking energy: -252.085
Base-Backbone interact. energy: 1.004
local terms energy: -251.089347
where:
bonds (distance) C4'-P energy: -52.105
bonds (distance) P-C4' energy: -50.151
flat angles C4'-P-C4' energy: -45.449
flat angles P-C4'-P energy: -29.667
tors. eta vs tors. theta energy: -73.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -804.973925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.973925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.973925 (E_RNA)
where:
Base-Base interactions energy: -554.336
where: short stacking energy: -225.713
Base-Backbone interact. energy: 1.640
local terms energy: -252.277583
where:
bonds (distance) C4'-P energy: -40.351
bonds (distance) P-C4' energy: -46.384
flat angles C4'-P-C4' energy: -56.841
flat angles P-C4'-P energy: -42.368
tors. eta vs tors. theta energy: -66.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -734.428004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.428004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.428004 (E_RNA)
where:
Base-Base interactions energy: -509.040
where: short stacking energy: -213.774
Base-Backbone interact. energy: -0.900
local terms energy: -224.487852
where:
bonds (distance) C4'-P energy: -34.840
bonds (distance) P-C4' energy: -43.306
flat angles C4'-P-C4' energy: -54.560
flat angles P-C4'-P energy: -36.242
tors. eta vs tors. theta energy: -55.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -557.281679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.281679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.281679 (E_RNA)
where:
Base-Base interactions energy: -363.616
where: short stacking energy: -161.853
Base-Backbone interact. energy: 0.470
local terms energy: -194.135402
where:
bonds (distance) C4'-P energy: -47.686
bonds (distance) P-C4' energy: -39.119
flat angles C4'-P-C4' energy: -42.186
flat angles P-C4'-P energy: -24.961
tors. eta vs tors. theta energy: -40.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -284.196880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.196880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.196880 (E_RNA)
where:
Base-Base interactions energy: -131.988
where: short stacking energy: -66.645
Base-Backbone interact. energy: -0.210
local terms energy: -151.999315
where:
bonds (distance) C4'-P energy: -41.497
bonds (distance) P-C4' energy: -49.564
flat angles C4'-P-C4' energy: -47.656
flat angles P-C4'-P energy: -21.813
tors. eta vs tors. theta energy: 8.530
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)
out arg RESULTS//1/Denv3_dominio3_RNAco-29ba94f1_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -966.304391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.304391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.304391 (E_RNA)
where:
Base-Base interactions energy: -683.410
where: short stacking energy: -288.187
Base-Backbone interact. energy: -0.436
local terms energy: -282.458026
where:
bonds (distance) C4'-P energy: -51.243
bonds (distance) P-C4' energy: -53.324
flat angles C4'-P-C4' energy: -54.440
flat angles P-C4'-P energy: -36.713
tors. eta vs tors. theta energy: -86.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -956.352947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.352947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.352947 (E_RNA)
where:
Base-Base interactions energy: -664.609
where: short stacking energy: -289.721
Base-Backbone interact. energy: 0.624
local terms energy: -292.368851
where:
bonds (distance) C4'-P energy: -53.011
bonds (distance) P-C4' energy: -58.320
flat angles C4'-P-C4' energy: -58.162
flat angles P-C4'-P energy: -37.072
tors. eta vs tors. theta energy: -85.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -921.971915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.971915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.971915 (E_RNA)
where:
Base-Base interactions energy: -642.616
where: short stacking energy: -273.231
Base-Backbone interact. energy: -1.092
local terms energy: -278.263762
where:
bonds (distance) C4'-P energy: -56.388
bonds (distance) P-C4' energy: -50.777
flat angles C4'-P-C4' energy: -54.261
flat angles P-C4'-P energy: -40.524
tors. eta vs tors. theta energy: -76.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -876.035187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.035187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.035187 (E_RNA)
where:
Base-Base interactions energy: -617.303
where: short stacking energy: -265.430
Base-Backbone interact. energy: -0.361
local terms energy: -258.371656
where:
bonds (distance) C4'-P energy: -40.844
bonds (distance) P-C4' energy: -51.650
flat angles C4'-P-C4' energy: -53.117
flat angles P-C4'-P energy: -38.696
tors. eta vs tors. theta energy: -74.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -836.937967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.937967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.937967 (E_RNA)
where:
Base-Base interactions energy: -582.696
where: short stacking energy: -256.393
Base-Backbone interact. energy: -0.803
local terms energy: -253.438507
where:
bonds (distance) C4'-P energy: -38.617
bonds (distance) P-C4' energy: -51.235
flat angles C4'-P-C4' energy: -59.069
flat angles P-C4'-P energy: -35.592
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: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -814.127972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.127972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.127972 (E_RNA)
where:
Base-Base interactions energy: -562.937
where: short stacking energy: -260.048
Base-Backbone interact. energy: -0.284
local terms energy: -250.907592
where:
bonds (distance) C4'-P energy: -41.888
bonds (distance) P-C4' energy: -44.471
flat angles C4'-P-C4' energy: -55.400
flat angles P-C4'-P energy: -41.191
tors. eta vs tors. theta energy: -67.957
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: 7
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -779.329420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.329420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.329420 (E_RNA)
where:
Base-Base interactions energy: -537.427
where: short stacking energy: -230.715
Base-Backbone interact. energy: 0.136
local terms energy: -242.038847
where:
bonds (distance) C4'-P energy: -41.516
bonds (distance) P-C4' energy: -43.697
flat angles C4'-P-C4' energy: -53.001
flat angles P-C4'-P energy: -37.272
tors. eta vs tors. theta energy: -66.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -787.354883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.354883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.354883 (E_RNA)
where:
Base-Base interactions energy: -543.530
where: short stacking energy: -231.616
Base-Backbone interact. energy: -0.183
local terms energy: -243.642661
where:
bonds (distance) C4'-P energy: -47.134
bonds (distance) P-C4' energy: -51.729
flat angles C4'-P-C4' energy: -48.320
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -71.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -548.065021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.065021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.065021 (E_RNA)
where:
Base-Base interactions energy: -360.244
where: short stacking energy: -149.597
Base-Backbone interact. energy: -1.094
local terms energy: -186.727015
where:
bonds (distance) C4'-P energy: -38.840
bonds (distance) P-C4' energy: -44.734
flat angles C4'-P-C4' energy: -50.708
flat angles P-C4'-P energy: -23.129
tors. eta vs tors. theta energy: -29.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -283.632568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.632568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.632568 (E_RNA)
where:
Base-Base interactions energy: -142.085
where: short stacking energy: -69.689
Base-Backbone interact. energy: -1.342
local terms energy: -140.205157
where:
bonds (distance) C4'-P energy: -27.575
bonds (distance) P-C4' energy: -50.099
flat angles C4'-P-C4' energy: -39.387
flat angles P-C4'-P energy: -24.654
tors. eta vs tors. theta energy: 1.511
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)